#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iyl s PRO 16 N 0.00 -2.27 -1.79 -1.46 0.04 -1.26 -3.38 135.00 124.88 3iyl s PRO 16 Ca 0.00 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.18 3iyl s PRO 16 Cb 0.00 -1.45 0.00 0.00 0.04 0.00 0.00 34.50 33.09 3iyl s PRO 16 CO 0.00 -4.44 0.00 0.00 0.04 0.00 0.00 177.00 172.60 3iyl n ALA 17 N -5.32 -0.58 0.00 8.56 0.00 -1.26 -4.43 120.51 117.48 3iyl n ALA 17 Ca 0.12 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3iyl n ALA 17 Cb 0.59 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.89 3iyl n ALA 17 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3iyl n ASP 18 N -1.86 0.00 0.20 0.00 -0.08 -1.25 -4.85 116.55 108.70 3iyl n ASP 18 Ca -0.24 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.08 3iyl n ASP 18 Cb 0.68 0.00 0.46 0.00 2.34 0.00 0.00 41.12 44.60 3iyl n ASP 18 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 3iyl h THR 19 N 0.00 1.16 -3.20 5.18 2.02 -1.77 -3.37 112.91 112.94 3iyl h THR 19 Ca 0.00 -0.77 -0.57 0.00 0.77 0.00 0.00 66.41 65.83 3iyl h THR 19 Cb 0.00 1.38 -0.40 0.00 -1.74 0.00 0.00 68.15 67.39 3iyl h THR 19 CO 0.00 0.22 -0.76 0.54 0.37 0.00 0.00 175.52 175.90 3iyl s ASN 20 N -6.97 3.82 -0.11 4.18 4.22 -1.26 -5.10 114.94 113.72 3iyl s ASN 20 Ca -0.04 -1.46 0.01 0.00 -2.14 0.00 0.00 52.86 49.22 3iyl s ASN 20 Cb 0.15 -0.83 0.02 0.00 1.28 0.00 0.00 41.25 41.88 3iyl s ASN 20 CO 0.71 -0.39 -0.11 -0.69 -2.04 0.00 0.00 177.10 174.59 3iyl s VAL 21 N 1.66 1.20 0.21 3.54 1.01 -1.26 -4.64 120.40 122.11 3iyl s VAL 21 Ca 0.07 -0.43 0.10 0.00 0.00 0.00 0.00 61.98 61.72 3iyl s VAL 21 Cb -0.17 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 3iyl s VAL 21 CO -0.21 0.39 -0.20 0.68 0.00 0.00 0.00 175.10 175.76 3iyl s VAL 22 N 1.36 2.17 -0.03 2.92 -7.23 -1.26 -5.08 120.40 113.25 3iyl s VAL 22 Ca -0.00 -2.13 -0.38 0.00 -1.81 0.00 0.00 61.98 57.65 3iyl s VAL 22 Cb -0.14 -2.09 -0.16 0.00 0.56 0.00 0.00 36.38 34.55 3iyl s VAL 22 CO -0.05 -0.31 1.46 -2.65 -0.31 0.00 0.00 175.10 173.24 3iyl n PRO 23 N -0.06 1.13 -0.57 4.82 -0.02 -1.26 -4.89 135.00 134.14 3iyl n PRO 23 Ca -0.10 0.41 -0.30 0.00 -2.02 0.00 0.00 63.50 61.49 3iyl n PRO 23 Cb 0.58 -2.06 0.22 0.00 -0.02 0.00 0.00 33.50 32.21 3iyl n PRO 23 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iyl n ALA 24 N 3.39 -3.34 -1.70 3.55 0.00 -1.26 -4.83 120.51 116.32 3iyl n ALA 24 Ca 0.21 -1.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.04 3iyl n ALA 24 Cb 0.17 -1.81 -0.03 0.00 0.00 0.00 0.00 19.45 17.78 3iyl n ALA 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3iyl s LYS 25 N -3.99 3.85 -1.21 0.00 2.47 -1.26 -1.80 119.74 117.80 3iyl s LYS 25 Ca 0.63 2.37 0.00 0.00 -1.56 0.00 0.00 55.97 57.41 3iyl s LYS 25 Cb -0.20 -4.20 0.00 0.00 -1.46 0.00 0.00 37.83 31.97 3iyl s LYS 25 CO 0.65 -1.28 0.00 -0.25 0.16 0.00 0.00 175.35 174.64 3iyl n ASP 26 N 8.68 -4.27 -0.29 1.43 8.00 -1.26 -4.94 116.55 123.91 3iyl n ASP 26 Ca 0.22 0.05 0.06 0.00 0.71 0.00 0.00 54.79 55.83 3iyl n ASP 26 Cb 0.42 -3.36 0.17 0.00 -0.02 0.00 0.00 41.12 38.33 3iyl n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iyl h ALA 27 N 0.53 0.78 -0.76 2.24 0.00 -1.67 -2.70 119.26 117.68 3iyl h ALA 27 Ca -0.31 0.29 0.18 0.00 0.00 0.00 0.00 54.91 55.07 3iyl h ALA 27 Cb 1.18 0.53 -0.14 0.00 0.00 0.00 0.00 17.79 19.35 3iyl h ALA 27 CO 0.38 -0.44 -0.08 -2.30 0.00 0.00 0.00 179.25 176.81 3iyl n PRO 28 N -5.44 -0.06 -3.49 0.00 -0.02 -1.26 -2.85 135.00 121.88 3iyl n PRO 28 Ca 0.15 1.16 -0.27 0.00 -2.02 0.00 0.00 63.50 62.52 3iyl n PRO 28 Cb 0.52 -1.80 -0.10 0.00 -0.02 0.00 0.00 33.50 32.10 3iyl n PRO 28 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3iyl n THR 29 N -5.15 -0.66 -0.05 3.45 -2.24 -1.02 -4.17 114.28 104.43 3iyl n THR 29 Ca 0.15 -3.71 -0.07 0.00 -2.27 0.00 0.00 64.05 58.15 3iyl n THR 29 Cb 0.49 -1.76 -0.02 0.00 -2.10 0.00 0.00 70.33 66.94 3iyl n THR 29 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3iyl n THR 30 N 2.65 1.42 0.14 4.28 -1.04 -1.13 -4.64 114.28 115.96 3iyl n THR 30 Ca 0.28 0.20 0.03 0.00 -2.04 0.00 0.00 64.05 62.52 3iyl n THR 30 Cb 0.46 -2.12 0.42 0.00 -1.82 0.00 0.00 70.33 67.27 3iyl n THR 30 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 3iyl h ASN 31 N -0.72 0.18 -0.44 8.00 2.35 -1.92 -3.45 115.58 119.58 3iyl h ASN 31 Ca -0.02 -0.03 -0.68 0.00 -0.55 0.00 0.00 56.30 55.02 3iyl h ASN 31 Cb 0.75 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 3iyl h ASN 31 CO -0.01 0.32 0.81 -1.54 -1.65 0.00 0.00 177.43 175.36 3iyl n SER 32 N -4.30 0.82 -4.80 5.81 3.41 -1.26 -4.82 113.62 108.47 3iyl n SER 32 Ca -0.01 0.78 -0.35 0.00 -0.26 0.00 0.00 58.87 59.03 3iyl n SER 32 Cb 0.25 -0.73 -0.07 0.00 -0.26 0.00 0.00 64.21 63.40 3iyl n SER 32 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3iyl s PRO 33 N 3.61 4.42 -0.86 4.33 0.04 -1.26 -4.62 135.00 140.66 3iyl s PRO 33 Ca 0.92 1.20 -0.25 0.00 0.04 0.00 0.00 61.00 62.91 3iyl s PRO 33 Cb -1.23 -2.58 -0.07 0.00 0.04 0.00 0.00 34.50 30.65 3iyl s PRO 33 CO 0.61 0.18 2.08 -2.14 0.04 0.00 0.00 177.00 177.78 3iyl s PRO 34 N -2.46 2.27 0.24 0.56 0.02 -1.26 -4.82 135.00 129.54 3iyl s PRO 34 Ca 0.54 -0.03 0.11 0.00 0.02 0.00 0.00 61.00 61.64 3iyl s PRO 34 Cb -0.15 -4.96 -0.05 0.00 0.02 0.00 0.00 34.50 29.36 3iyl s PRO 34 CO 0.20 -3.68 -0.20 -1.12 -0.33 0.00 0.00 177.00 171.86 3iyl s SER 35 N 8.90 3.61 0.00 2.53 0.01 -1.26 -5.03 113.70 122.46 3iyl s SER 35 Ca 0.77 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 57.10 3iyl s SER 35 Cb -0.09 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.81 3iyl s SER 35 CO 0.02 0.07 0.28 0.35 0.41 0.00 0.00 173.24 174.38 3iyl n THR 36 N -0.25 0.00 -0.04 1.44 -2.24 -1.26 -4.58 114.28 107.34 3iyl n THR 36 Ca -0.08 -0.41 -0.02 0.00 -2.27 0.00 0.00 64.05 61.26 3iyl n THR 36 Cb 0.58 1.12 -0.01 0.00 -2.10 0.00 0.00 70.33 69.92 3iyl n THR 36 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3iyl h THR 37 N 0.12 0.00 -0.25 4.28 2.02 -2.00 -3.44 112.91 113.63 3iyl h THR 37 Ca 0.00 -0.67 -0.22 0.00 0.77 0.00 0.00 66.41 66.28 3iyl h THR 37 Cb 0.06 0.00 -0.33 0.00 -1.74 0.00 0.00 68.15 66.15 3iyl h THR 37 CO 0.00 0.00 -0.92 -1.54 0.37 0.00 0.00 175.52 173.43 3iyl n SER 38 N -3.85 1.95 0.00 4.18 3.41 -1.26 -5.04 113.62 113.01 3iyl n SER 38 Ca -0.04 -2.66 0.00 0.00 -0.26 0.00 0.00 58.87 55.92 3iyl n SER 38 Cb 0.13 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 3iyl n SER 38 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3iyl n PRO 39 N -0.34 0.00 0.12 4.33 -0.02 -1.26 0.01 135.00 137.84 3iyl n PRO 39 Ca 0.15 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.49 3iyl n PRO 39 Cb 0.93 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 34.33 3iyl n PRO 39 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3iyl h ASN 40 N 0.00 -0.20 -0.09 2.55 2.35 -1.95 -1.60 115.58 116.64 3iyl h ASN 40 Ca 0.00 -0.04 0.04 0.00 -0.55 0.00 0.00 56.30 55.75 3iyl h ASN 40 Cb 0.00 0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.37 3iyl h ASN 40 CO 0.00 -0.09 -0.21 1.56 -1.65 0.00 0.00 177.43 177.04 3iyl h GLN 41 N -0.29 -0.28 -0.98 0.81 1.08 -0.58 0.75 115.11 115.61 3iyl h GLN 41 Ca -0.02 0.02 0.20 0.00 -1.45 0.00 0.00 58.65 57.39 3iyl h GLN 41 Cb 0.23 0.06 -0.09 0.00 -0.05 0.00 0.00 27.48 27.63 3iyl h GLN 41 CO 0.04 -0.19 0.61 0.00 -0.95 0.00 0.00 178.83 178.34 3iyl h ALA 42 N 0.65 1.84 0.12 3.87 0.00 -1.52 -1.32 119.26 122.91 3iyl h ALA 42 Ca 0.09 0.06 -0.28 0.00 0.00 0.00 0.00 54.91 54.77 3iyl h ALA 42 Cb 0.42 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.17 3iyl h ALA 42 CO -0.26 -0.19 -1.18 0.00 0.00 0.00 0.00 179.25 177.62 3iyl h ALA 43 N 1.63 -0.03 0.00 0.00 0.00 -0.15 -2.44 119.26 118.28 3iyl h ALA 43 Ca 0.55 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3iyl h ALA 43 Cb 0.99 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3iyl h ALA 43 CO -0.32 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.56 3iyl n ALA 44 N -2.68 1.82 -0.08 0.00 0.00 0.25 -1.64 120.51 118.17 3iyl n ALA 44 Ca -0.14 -0.06 -0.16 0.00 0.00 0.00 0.00 53.44 53.08 3iyl n ALA 44 Cb 0.96 -1.15 -0.06 0.00 0.00 0.00 0.00 19.45 19.20 3iyl n ALA 44 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3iyl n ASP 45 N -1.03 1.61 -0.23 0.00 8.00 -0.82 -3.32 116.55 120.76 3iyl n ASP 45 Ca 0.07 0.13 0.02 0.00 0.71 0.00 0.00 54.79 55.72 3iyl n ASP 45 Cb 0.04 -0.43 0.14 0.00 -0.02 0.00 0.00 41.12 40.85 3iyl n ASP 45 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iyl h ALA 46 N -0.44 0.90 -0.69 2.24 0.00 -1.09 0.40 119.26 120.58 3iyl h ALA 46 Ca -0.41 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 3iyl h ALA 46 Cb 1.42 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 3iyl h ALA 46 CO -0.21 -0.20 0.23 -0.91 0.00 0.00 0.00 179.25 178.16 3iyl h ASN 47 N 0.42 0.97 0.57 0.00 4.21 -1.53 0.36 115.58 120.57 3iyl h ASN 47 Ca 0.36 -0.16 -0.03 0.00 1.21 0.00 0.00 56.30 57.67 3iyl h ASN 47 Cb 0.49 -0.25 0.00 0.00 -1.12 0.00 0.00 38.32 37.44 3iyl h ASN 47 CO -0.36 0.90 -0.28 -0.61 -1.29 0.00 0.00 177.43 175.79 3iyl h GLN 48 N 1.01 -0.75 -0.49 0.81 5.75 -0.36 -0.16 115.11 120.92 3iyl h GLN 48 Ca 0.23 0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.67 3iyl h GLN 48 Cb 0.26 0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 3iyl h GLN 48 CO -0.01 -0.50 -0.13 -0.56 -2.65 0.00 0.00 178.83 174.98 3iyl h GLN 49 N -0.77 0.93 -0.31 1.69 3.07 -0.64 -3.07 115.11 116.00 3iyl h GLN 49 Ca -0.08 -0.34 0.07 0.00 0.09 0.00 0.00 58.65 58.39 3iyl h GLN 49 Cb 0.60 -0.06 -0.08 0.00 0.08 0.00 0.00 27.48 28.02 3iyl h GLN 49 CO 0.12 1.00 -0.32 0.37 0.09 0.00 0.00 178.83 180.09 3iyl h GLN 50 N 0.83 -0.28 0.00 0.06 5.75 -0.03 0.78 115.11 122.22 3iyl h GLN 50 Ca 0.13 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 3iyl h GLN 50 Cb 0.67 0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.29 3iyl h GLN 50 CO 0.05 -0.19 0.10 0.00 -2.65 0.00 0.00 178.83 176.14 3iyl h ALA 51 N 0.65 1.10 0.00 3.38 0.00 -0.94 -3.45 119.26 120.00 3iyl h ALA 51 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3iyl h ALA 51 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3iyl h ALA 51 CO -0.48 -0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.09 3iyl n GLY 52 N -1.12 1.80 3.55 0.00 0.00 0.27 -5.01 105.19 104.68 3iyl n GLY 52 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 3iyl n GLY 52 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3iyl n ILE 53 N -2.00 0.20 -1.72 -0.61 5.41 -1.17 -4.92 119.36 114.55 3iyl n ILE 53 Ca 0.00 -0.47 -0.38 0.00 1.00 0.00 0.00 62.75 62.91 3iyl n ILE 53 Cb 0.00 -2.31 0.06 0.00 -0.71 0.00 0.00 39.64 36.68 3iyl n ILE 53 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3iyl n VAL 54 N 7.67 4.51 0.39 1.39 0.31 -1.26 -4.44 118.33 126.90 3iyl n VAL 54 Ca 0.36 -0.50 -0.18 0.00 -0.01 0.00 0.00 64.34 64.00 3iyl n VAL 54 Cb 0.40 -1.51 -0.09 0.00 -0.91 0.00 0.00 33.84 31.73 3iyl n VAL 54 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 3iyl h SER 55 N 0.80 -0.80 -0.00 4.52 0.87 -1.91 -2.61 113.55 114.41 3iyl h SER 55 Ca -0.51 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 3iyl h SER 55 Cb 1.33 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 63.50 3iyl h SER 55 CO 0.54 -0.57 0.15 0.77 -0.53 0.00 0.00 176.83 177.19 3iyl h SER 56 N -0.96 0.00 0.20 6.23 4.64 -1.98 -2.67 113.55 119.01 3iyl h SER 56 Ca -0.10 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 3iyl h SER 56 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3iyl h SER 56 CO 0.16 0.00 -0.10 1.56 -0.87 0.00 0.00 176.83 177.58 3iyl h GLN 57 N 0.00 -0.26 -5.53 4.77 4.20 -1.84 -3.40 115.11 113.05 3iyl h GLN 57 Ca 0.00 0.02 -0.64 0.00 0.06 0.00 0.00 58.65 58.09 3iyl h GLN 57 Cb 0.30 0.06 -0.14 0.00 0.30 0.00 0.00 27.48 28.00 3iyl h GLN 57 CO -0.00 0.12 0.19 0.45 -0.67 0.00 0.00 178.83 178.92 3iyl s SER 58 N -5.38 6.40 0.00 1.46 0.15 -1.01 -5.00 113.70 110.32 3iyl s SER 58 Ca -0.12 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.49 3iyl s SER 58 Cb 0.01 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 3iyl s SER 58 CO 0.43 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.76 3iyl n GLY 59 N 4.84 1.71 0.41 9.45 0.00 -1.26 -4.18 105.19 116.17 3iyl n GLY 59 Ca -0.00 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.34 3iyl n GLY 59 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3iyl h PRO 60 N 0.00 0.16 0.06 1.61 0.11 -1.96 -2.89 132.00 129.09 3iyl h PRO 60 Ca 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3iyl h PRO 60 Cb 0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.07 3iyl h PRO 60 CO 0.00 0.10 -0.06 -0.91 -0.21 0.00 0.00 178.00 176.93 3iyl h ASN 61 N 0.16 -0.16 0.00 -2.05 4.21 -1.98 -2.81 115.58 112.95 3iyl h ASN 61 Ca 0.78 0.01 0.00 0.00 1.21 0.00 0.00 56.30 58.30 3iyl h ASN 61 Cb 2.22 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 39.48 3iyl h ASN 61 CO -0.49 -0.08 0.00 0.00 -1.29 0.00 0.00 177.43 175.58 3iyl n ALA 62 N -2.31 1.43 -1.05 -0.83 0.00 -1.09 -3.97 120.51 112.68 3iyl n ALA 62 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3iyl n ALA 62 Cb 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3iyl n ALA 62 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3iyl n VAL 63 N 0.40 0.00 -3.24 0.00 0.31 -1.06 -4.78 118.33 109.95 3iyl n VAL 63 Ca 0.00 0.00 -0.46 0.00 -0.01 0.00 0.00 64.34 63.87 3iyl n VAL 63 Cb 0.07 -0.39 -0.03 0.00 -0.91 0.00 0.00 33.84 32.58 3iyl n VAL 63 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3iyl s GLY 64 N -0.87 2.28 -0.04 2.92 0.00 -1.26 -5.00 107.32 105.35 3iyl s GLY 64 Ca 0.00 -2.87 -0.18 0.00 0.00 0.00 0.00 44.72 41.67 3iyl s GLY 64 CO 0.00 1.38 0.39 0.51 0.00 0.00 0.00 173.10 175.38 3iyl s ASP 65 N 2.95 -0.31 0.28 1.64 -4.77 -1.26 -5.07 116.67 110.14 3iyl s ASP 65 Ca 0.14 0.30 0.09 0.00 -3.30 0.00 0.00 52.55 49.79 3iyl s ASP 65 Cb -0.17 0.43 -0.06 0.00 -1.09 0.00 0.00 42.92 42.03 3iyl s ASP 65 CO -0.03 -0.43 -0.12 -0.44 0.70 0.00 0.00 175.17 174.85 3iyl s SER 66 N -1.08 3.19 0.06 2.11 0.01 -1.26 -4.17 113.70 112.56 3iyl s SER 66 Ca -0.11 -1.12 0.01 0.00 1.31 0.00 0.00 55.95 56.03 3iyl s SER 66 Cb -0.04 -0.24 -0.04 0.00 0.21 0.00 0.00 66.02 65.91 3iyl s SER 66 CO 0.05 -0.18 -0.05 0.00 0.41 0.00 0.00 173.24 173.47 3iyl s ALA 67 N -2.77 0.63 0.31 1.44 0.00 -1.22 -4.78 121.76 115.37 3iyl s ALA 67 Ca 0.29 -1.11 -0.29 0.00 0.00 0.00 0.00 51.96 50.85 3iyl s ALA 67 Cb 0.00 0.18 -0.11 0.00 0.00 0.00 0.00 23.12 23.20 3iyl s ALA 67 CO 0.13 -0.24 1.46 -2.14 0.00 0.00 0.00 175.76 174.97 3iyl s PRO 68 N -3.20 4.21 0.02 0.00 0.02 -1.26 -4.56 135.00 130.22 3iyl s PRO 68 Ca 0.03 2.43 0.01 0.00 0.02 0.00 0.00 61.00 63.49 3iyl s PRO 68 Cb 0.02 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.46 3iyl s PRO 68 CO -0.05 -0.46 0.05 0.45 -0.33 0.00 0.00 177.00 176.66 3iyl s SER 69 N 0.08 5.43 0.03 2.53 0.15 -1.26 -4.46 113.70 116.20 3iyl s SER 69 Ca 0.56 0.05 0.10 0.00 0.70 0.00 0.00 55.95 57.36 3iyl s SER 69 Cb -0.44 -1.48 0.43 0.00 -1.71 0.00 0.00 66.02 62.82 3iyl s SER 69 CO 0.52 0.25 1.31 -0.24 1.20 0.00 0.00 173.24 176.28 3iyl n SER 70 N 1.05 0.06 -0.08 5.45 2.88 -1.26 -3.39 113.62 118.33 3iyl n SER 70 Ca -0.12 0.52 -0.15 0.00 -1.33 0.00 0.00 58.87 57.78 3iyl n SER 70 Cb 0.52 -0.53 -0.07 0.00 -0.75 0.00 0.00 64.21 63.38 3iyl n SER 70 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3iyl n SER 71 N -1.58 1.87 -0.46 -3.46 3.41 -1.26 -4.70 113.62 107.45 3iyl n SER 71 Ca 0.02 0.08 0.37 0.00 -0.26 0.00 0.00 58.87 59.08 3iyl n SER 71 Cb 0.10 -0.40 0.57 0.00 -0.26 0.00 0.00 64.21 64.22 3iyl n SER 71 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3iyl n VAL 72 N -3.43 0.00 -1.42 -3.33 0.31 -1.22 -2.57 118.33 106.67 3iyl n VAL 72 Ca -0.32 1.15 0.18 0.00 -0.01 0.00 0.00 64.34 65.34 3iyl n VAL 72 Cb 0.77 -1.95 -0.08 0.00 -0.91 0.00 0.00 33.84 31.67 3iyl n VAL 72 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3iyl n ASN 73 N -3.34 -8.13 0.32 4.52 0.23 -1.26 -4.31 115.26 103.29 3iyl n ASN 73 Ca 0.31 1.23 0.20 0.00 -0.53 0.00 0.00 54.58 55.78 3iyl n ASN 73 Cb 1.52 -4.74 1.08 0.00 -2.08 0.00 0.00 39.78 35.55 3iyl n ASN 73 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 3iyl h ASN 74 N -1.38 0.00 -2.61 0.53 4.21 -1.91 -3.42 115.58 111.01 3iyl h ASN 74 Ca -0.14 0.00 -0.59 0.00 1.21 0.00 0.00 56.30 56.78 3iyl h ASN 74 Cb 1.35 0.00 -0.11 0.00 -1.12 0.00 0.00 38.32 38.44 3iyl h ASN 74 CO 0.06 0.00 -0.66 -1.81 -1.29 0.00 0.00 177.43 173.73 3iyl s ASP 75 N -5.20 4.61 0.12 5.81 1.01 -1.26 -5.02 116.67 116.74 3iyl s ASP 75 Ca -0.05 -0.52 -0.19 0.00 0.71 0.00 0.00 52.55 52.50 3iyl s ASP 75 Cb 0.13 -0.91 0.01 0.00 1.01 0.00 0.00 42.92 43.16 3iyl s ASP 75 CO 0.42 0.05 1.05 0.61 0.21 0.00 0.00 175.17 177.51 3iyl n GLY 76 N -0.44 -1.67 1.49 0.21 0.00 -1.26 -4.68 105.19 98.85 3iyl n GLY 76 Ca -0.09 0.80 -0.26 0.00 0.00 0.00 0.00 46.02 46.47 3iyl n GLY 76 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iyl n ASP 77 N -4.89 0.12 -4.57 1.61 8.00 -1.26 -4.80 116.55 110.75 3iyl n ASP 77 Ca 0.03 0.49 -0.42 0.00 0.71 0.00 0.00 54.79 55.60 3iyl n ASP 77 Cb 0.20 -0.38 -0.01 0.00 -0.02 0.00 0.00 41.12 40.91 3iyl n ASP 77 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3iyl s ILE 78 N 0.30 4.03 0.94 0.53 1.09 -1.26 -4.25 121.20 122.57 3iyl s ILE 78 Ca 0.39 -1.38 -0.12 0.00 -1.10 0.00 0.00 60.65 58.45 3iyl s ILE 78 Cb -0.55 -5.13 0.07 0.00 -1.06 0.00 0.00 42.46 35.78 3iyl s ILE 78 CO 0.26 -1.99 0.63 0.00 -0.10 0.00 0.00 174.94 173.75 3iyl n ILE 79 N 6.63 0.00 -1.79 2.92 3.06 -1.06 -4.93 119.36 124.19 3iyl n ILE 79 Ca 0.42 -0.13 0.03 0.00 -2.50 0.00 0.00 62.75 60.56 3iyl n ILE 79 Cb 0.48 -0.73 0.04 0.00 0.54 0.00 0.00 39.64 39.97 3iyl n ILE 79 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 3iyl n THR 80 N -3.80 0.55 0.00 9.51 -1.04 -1.26 -4.71 114.28 113.53 3iyl n THR 80 Ca 0.08 -0.76 0.00 0.00 -2.04 0.00 0.00 64.05 61.33 3iyl n THR 80 Cb 0.53 0.33 0.00 0.00 -1.82 0.00 0.00 70.33 69.37 3iyl n THR 80 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 3iyl n ARG 81 N -0.36 0.00 -0.30 -2.82 1.85 -1.26 -5.15 116.66 108.62 3iyl n ARG 81 Ca 0.05 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.78 3iyl n ARG 81 Cb 0.72 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 32.11 3iyl n ARG 81 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3iyl n PRO 82 N -0.57 0.00 -0.38 2.89 -0.02 -1.26 -4.52 135.00 131.14 3iyl n PRO 82 Ca 0.00 0.00 0.30 0.00 -2.02 0.00 0.00 63.50 61.78 3iyl n PRO 82 Cb 0.00 -0.30 0.57 0.00 -0.02 0.00 0.00 33.50 33.76 3iyl n PRO 82 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3iyl h THR 83 N 0.61 0.31 -0.18 3.45 2.02 -1.99 0.90 112.91 118.03 3iyl h THR 83 Ca -0.10 -0.08 -0.12 0.00 0.77 0.00 0.00 66.41 66.88 3iyl h THR 83 Cb 0.28 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 3iyl h THR 83 CO 0.13 0.04 -0.37 0.77 0.37 0.00 0.00 175.52 176.47 3iyl h SER 84 N 0.23 0.63 0.63 4.18 4.64 -2.00 -2.57 113.55 119.29 3iyl h SER 84 Ca 0.72 -0.56 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3iyl h SER 84 Cb 2.04 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.95 3iyl h SER 84 CO -0.39 1.07 0.00 -0.90 -0.87 0.00 0.00 176.83 175.74 3iyl n ASP 85 N -4.29 0.00 0.03 4.97 5.68 0.20 -1.76 116.55 121.38 3iyl n ASP 85 Ca -0.06 0.26 -0.19 0.00 -0.50 0.00 0.00 54.79 54.30 3iyl n ASP 85 Cb 0.52 -0.41 -0.14 0.00 -1.14 0.00 0.00 41.12 39.95 3iyl n ASP 85 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 3iyl h SER 86 N 0.00 0.41 0.02 -1.12 0.87 -1.14 -2.94 113.55 109.65 3iyl h SER 86 Ca 0.00 -0.74 -0.10 0.00 -1.23 0.00 0.00 61.79 59.72 3iyl h SER 86 Cb 0.32 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3iyl h SER 86 CO 0.00 1.64 -0.31 0.40 -0.53 0.00 0.00 176.83 178.03 3iyl h ILE 87 N 0.07 1.28 -0.08 2.23 2.04 -1.21 -2.26 117.51 119.59 3iyl h ILE 87 Ca -0.35 -1.35 -0.04 0.00 1.00 0.00 0.00 64.86 64.12 3iyl h ILE 87 Cb 2.05 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 39.57 3iyl h ILE 87 CO 0.13 0.42 -0.14 0.00 0.00 0.00 0.00 178.15 178.56 3iyl h ALA 88 N 1.31 1.62 0.33 1.87 0.00 -1.40 -0.83 119.26 122.17 3iyl h ALA 88 Ca 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3iyl h ALA 88 Cb 0.72 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3iyl h ALA 88 CO 0.06 0.28 -0.16 0.00 0.00 0.00 0.00 179.25 179.42 3iyl h ALA 89 N 1.75 -0.45 -0.47 0.00 0.00 -1.22 -1.53 119.26 117.34 3iyl h ALA 89 Ca 0.02 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.82 3iyl h ALA 89 Cb 0.33 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 3iyl h ALA 89 CO 0.02 -0.50 0.10 0.28 0.00 0.00 0.00 179.25 179.15 3iyl h VAL 90 N -0.94 0.75 0.16 0.00 2.07 -1.40 -1.41 116.25 115.48 3iyl h VAL 90 Ca -0.05 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3iyl h VAL 90 Cb 0.52 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3iyl h VAL 90 CO 0.07 0.04 -0.16 0.00 0.02 0.00 0.00 177.57 177.55 3iyl h ALA 91 N 1.36 -0.32 -0.40 1.67 0.00 -1.20 -3.05 119.26 117.32 3iyl h ALA 91 Ca 0.23 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3iyl h ALA 91 Cb 0.30 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3iyl h ALA 91 CO -0.30 -0.70 0.20 -0.91 0.00 0.00 0.00 179.25 177.54 3iyl h ASN 92 N -0.35 0.29 0.00 0.00 2.35 -0.97 -2.12 115.58 114.78 3iyl h ASN 92 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3iyl h ASN 92 Cb 0.33 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3iyl h ASN 92 CO -0.04 0.21 0.00 0.00 -1.65 0.00 0.00 177.43 175.95 3iyl n ALA 93 N -2.28 1.57 -3.45 -0.83 0.00 -0.56 -3.80 120.51 111.17 3iyl n ALA 93 Ca 0.02 -0.01 -0.28 0.00 0.00 0.00 0.00 53.44 53.17 3iyl n ALA 93 Cb 0.10 -1.01 -0.12 0.00 0.00 0.00 0.00 19.45 18.42 3iyl n ALA 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3iyl s THR 94 N -2.00 0.11 -0.48 0.00 2.01 -0.80 -5.04 115.64 109.44 3iyl s THR 94 Ca 0.01 -1.72 0.06 0.00 0.31 0.00 0.00 61.69 60.35 3iyl s THR 94 Cb 0.01 -1.09 0.18 0.00 0.01 0.00 0.00 72.50 71.61 3iyl s THR 94 CO 0.01 -0.98 0.60 0.29 -0.69 0.00 0.00 174.62 173.85 3iyl n LYS 95 N 3.97 0.42 -1.43 4.92 5.02 -1.25 -4.94 118.16 124.88 3iyl n LYS 95 Ca 0.13 -2.43 -0.38 0.00 -2.02 0.00 0.00 58.31 53.62 3iyl n LYS 95 Cb 0.38 -1.54 0.04 0.00 -0.02 0.00 0.00 35.03 33.90 3iyl n LYS 95 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3iyl n PRO 96 N 2.88 0.45 -1.69 1.97 -0.02 -1.26 -4.75 135.00 132.59 3iyl n PRO 96 Ca 0.22 0.18 -0.43 0.00 -2.02 0.00 0.00 63.50 61.45 3iyl n PRO 96 Cb 0.53 -1.67 -0.03 0.00 -0.02 0.00 0.00 33.50 32.31 3iyl n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iyl s ALA 97 N -1.76 3.06 0.43 3.55 0.00 -1.26 -4.82 121.76 120.96 3iyl s ALA 97 Ca 0.68 0.91 0.27 0.00 0.00 0.00 0.00 51.96 53.81 3iyl s ALA 97 Cb -0.43 -3.98 1.33 0.00 0.00 0.00 0.00 23.12 20.04 3iyl s ALA 97 CO 0.56 -2.31 1.67 0.00 0.00 0.00 0.00 175.76 175.67 3iyl h ALA 98 N 13.11 2.59 -3.75 0.00 0.00 -2.06 -3.35 119.26 125.80 3iyl h ALA 98 Ca -0.43 0.10 -0.49 0.00 0.00 0.00 0.00 54.91 54.09 3iyl h ALA 98 Cb 1.23 0.15 -0.32 0.00 0.00 0.00 0.00 17.79 18.85 3iyl h ALA 98 CO 0.96 -1.15 -0.81 0.08 0.00 0.00 0.00 179.25 178.33 3iyl s VAL 99 N -5.35 1.08 -0.38 0.00 1.01 -1.26 -5.11 120.40 110.38 3iyl s VAL 99 Ca -0.08 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.41 3iyl s VAL 99 Cb 0.28 -0.95 0.12 0.00 0.00 0.00 0.00 36.38 35.83 3iyl s VAL 99 CO 0.81 0.33 0.17 -0.69 0.00 0.00 0.00 175.10 175.72 3iyl s VAL 100 N 0.26 1.29 0.16 2.92 1.01 -1.26 -5.10 120.40 119.69 3iyl s VAL 100 Ca -0.06 -2.11 -0.34 0.00 0.00 0.00 0.00 61.98 59.47 3iyl s VAL 100 Cb -0.11 -1.94 -0.15 0.00 0.00 0.00 0.00 36.38 34.18 3iyl s VAL 100 CO 0.02 -0.79 1.42 -1.54 0.00 0.00 0.00 175.10 174.21 3iyl n SER 101 N 4.09 2.42 -3.38 3.32 3.41 -1.26 -4.95 113.62 117.26 3iyl n SER 101 Ca 0.04 1.11 -0.10 0.00 -0.26 0.00 0.00 58.87 59.67 3iyl n SER 101 Cb 0.38 -1.34 -0.02 0.00 -0.26 0.00 0.00 64.21 62.97 3iyl n SER 101 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3iyl s ASP 102 N 0.53 0.18 0.00 4.04 -4.77 -1.26 -5.14 116.67 110.25 3iyl s ASP 102 Ca 0.77 -1.10 0.00 0.00 -3.30 0.00 0.00 52.55 48.91 3iyl s ASP 102 Cb -0.76 0.73 0.00 0.00 -1.09 0.00 0.00 42.92 41.80 3iyl s ASP 102 CO 0.45 -1.42 0.00 -2.65 0.70 0.00 0.00 175.17 172.25 3iyl n PRO 103 N -0.50 0.00 -2.04 2.11 -0.02 -1.26 -4.80 135.00 128.49 3iyl n PRO 103 Ca -0.04 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.04 3iyl n PRO 103 Cb 0.61 -0.24 -0.02 0.00 -0.02 0.00 0.00 33.50 33.83 3iyl n PRO 103 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3iyl s GLN 104 N 0.00 4.28 0.00 -0.52 1.11 -1.26 -4.90 119.66 118.37 3iyl s GLN 104 Ca 0.00 2.30 0.00 0.00 0.01 0.00 0.00 55.36 57.67 3iyl s GLN 104 Cb 0.00 -3.03 0.00 0.00 -1.01 0.00 0.00 33.01 28.97 3iyl s GLN 104 CO 0.00 -0.29 0.00 -1.13 0.01 0.00 0.00 175.29 173.88 3iyl n SER 105 N 0.68 0.00 0.00 5.90 3.41 -1.26 -5.07 113.62 117.28 3iyl n SER 105 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3iyl n SER 105 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 3iyl n SER 105 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3iyl n MET 106 N 0.00 0.00 -1.93 4.33 1.56 -1.26 -4.76 117.12 115.06 3iyl n MET 106 Ca 0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.01 3iyl n MET 106 Cb 0.00 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.34 3iyl n MET 106 CO 0.00 0.00 0.00 0.21 -0.73 0.00 0.00 175.97 175.45 3iyl s LYS 107 N 0.00 4.21 -0.17 2.12 2.20 -1.26 -5.00 119.74 121.83 3iyl s LYS 107 Ca 0.00 2.34 0.00 0.00 -0.36 0.00 0.00 55.97 57.95 3iyl s LYS 107 Cb 0.00 -3.42 0.04 0.00 -1.51 0.00 0.00 37.83 32.94 3iyl s LYS 107 CO 0.00 -0.68 -0.09 0.08 -0.36 0.00 0.00 175.35 174.30 3iyl s VAL 108 N 2.03 1.39 0.73 4.02 1.01 -1.26 -5.13 120.40 123.19 3iyl s VAL 108 Ca 0.72 -0.73 -0.16 0.00 0.00 0.00 0.00 61.98 61.81 3iyl s VAL 108 Cb -0.41 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.52 3iyl s VAL 108 CO 0.32 0.23 1.01 0.41 0.00 0.00 0.00 175.10 177.07 3iyl n THR 109 N 4.79 2.84 -1.83 3.92 -1.04 -1.26 -4.90 114.28 116.81 3iyl n THR 109 Ca -0.14 -0.36 -0.42 0.00 -2.04 0.00 0.00 64.05 61.10 3iyl n THR 109 Cb 0.48 -1.13 -0.02 0.00 -1.82 0.00 0.00 70.33 67.83 3iyl n THR 109 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3iyl s PRO 110 N -3.43 4.16 0.23 -2.82 0.02 -1.26 -4.85 135.00 127.05 3iyl s PRO 110 Ca 0.74 2.51 0.18 0.00 0.02 0.00 0.00 61.00 64.45 3iyl s PRO 110 Cb -0.34 -3.06 0.88 0.00 0.02 0.00 0.00 34.50 32.00 3iyl s PRO 110 CO 0.50 -0.61 1.54 -0.89 -0.33 0.00 0.00 177.00 177.20 3iyl n ILE 111 N 2.67 1.17 -3.54 2.83 2.08 -1.26 -4.16 119.36 119.15 3iyl n ILE 111 Ca 0.10 0.55 -0.28 0.00 0.56 0.00 0.00 62.75 63.68 3iyl n ILE 111 Cb 0.38 -1.52 -0.15 0.00 -0.75 0.00 0.00 39.64 37.59 3iyl n ILE 111 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 3iyl s VAL 112 N -3.36 -0.10 -0.77 1.39 -7.23 -1.26 -5.09 120.40 103.98 3iyl s VAL 112 Ca 0.00 -0.63 -0.24 0.00 -1.81 0.00 0.00 61.98 59.30 3iyl s VAL 112 Cb 0.06 -0.91 -0.17 0.00 0.56 0.00 0.00 36.38 35.92 3iyl s VAL 112 CO 0.21 -0.63 2.09 0.59 -0.31 0.00 0.00 175.10 177.05 3iyl n ASN 113 N 5.26 0.23 0.17 4.85 5.03 -1.26 -4.79 115.26 124.75 3iyl n ASN 113 Ca -0.06 0.14 0.12 0.00 0.87 0.00 0.00 54.58 55.65 3iyl n ASN 113 Cb 0.44 -0.71 0.60 0.00 -1.02 0.00 0.00 39.78 39.08 3iyl n ASN 113 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 3iyl h PRO 114 N 9.29 0.00 0.47 3.52 0.13 -1.98 -3.27 132.00 140.15 3iyl h PRO 114 Ca -0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 3iyl h PRO 114 Cb 1.02 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 3iyl h PRO 114 CO 1.08 0.00 -0.39 1.03 -0.23 0.00 0.00 178.00 179.49 3iyl h SER 115 N 0.00 -1.03 -1.80 1.44 0.87 -1.91 -3.45 113.55 107.66 3iyl h SER 115 Ca 0.00 0.07 -0.52 0.00 -1.23 0.00 0.00 61.79 60.12 3iyl h SER 115 Cb 0.11 0.33 -0.05 0.00 -0.44 0.00 0.00 62.40 62.34 3iyl h SER 115 CO 0.00 -0.54 -0.48 -0.94 -0.53 0.00 0.00 176.83 174.34 3iyl s SER 116 N -3.79 4.97 -0.21 6.23 1.04 -1.23 -4.74 113.70 115.96 3iyl s SER 116 Ca -0.14 -0.67 -0.02 0.00 0.48 0.00 0.00 55.95 55.60 3iyl s SER 116 Cb 0.03 -0.80 0.06 0.00 0.10 0.00 0.00 66.02 65.42 3iyl s SER 116 CO 0.46 -0.38 0.03 -0.31 0.98 0.00 0.00 173.24 174.02 3iyl s TYR 117 N -2.39 1.22 0.31 5.02 1.51 0.11 -4.92 117.35 118.21 3iyl s TYR 117 Ca 0.41 -1.03 -0.25 0.00 -1.01 0.00 0.00 57.07 55.18 3iyl s TYR 117 Cb -0.04 -1.14 -0.10 0.00 -0.11 0.00 0.00 41.96 40.57 3iyl s TYR 117 CO 0.25 -0.66 0.91 0.14 -1.11 0.00 0.00 175.55 175.09 3iyl s VAL 118 N 1.79 4.26 -0.01 0.71 -7.23 -1.26 0.42 120.40 119.08 3iyl s VAL 118 Ca -0.00 1.75 -0.30 0.00 -1.81 0.00 0.00 61.98 61.62 3iyl s VAL 118 Cb -0.17 -4.00 -0.04 0.00 0.56 0.00 0.00 36.38 32.73 3iyl s VAL 118 CO -0.10 0.16 1.20 0.00 -0.31 0.00 0.00 175.10 176.05 3iyl h ASN 120 N 7.22 0.00 0.22 0.00 4.21 -1.94 -2.68 115.58 122.62 3iyl h ASN 120 Ca -0.37 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.13 3iyl h ASN 120 Cb 1.18 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.39 3iyl h ASN 120 CO 0.85 0.65 -0.11 0.58 -1.29 0.00 0.00 177.43 178.12 3iyl h VAL 121 N 0.00 0.56 0.00 2.81 2.07 -1.99 -3.45 116.25 116.25 3iyl h VAL 121 Ca -0.08 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.46 3iyl h VAL 121 Cb 1.57 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 3iyl h VAL 121 CO 0.07 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.81 3iyl n ASN 123 N 0.00 0.00 -4.56 0.00 3.02 -1.01 -4.79 115.26 107.93 3iyl n ASN 123 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 3iyl n ASN 123 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 3iyl n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iyl n ALA 124 N 0.00 1.00 -1.15 5.41 0.00 -1.26 -3.93 120.51 120.58 3iyl n ALA 124 Ca 0.00 -0.76 -0.29 0.00 0.00 0.00 0.00 53.44 52.39 3iyl n ALA 124 Cb 0.00 -3.12 0.17 0.00 0.00 0.00 0.00 19.45 16.50 3iyl n ALA 124 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3iyl s ARG 125 N 7.86 0.63 0.03 0.00 1.70 -1.26 -3.36 118.95 124.54 3iyl s ARG 125 Ca 1.00 0.63 -0.04 0.00 -0.47 0.00 0.00 55.73 56.85 3iyl s ARG 125 Cb -0.25 -1.75 -0.01 0.00 -0.57 0.00 0.00 34.95 32.37 3iyl s ARG 125 CO 0.29 -2.62 0.07 -0.06 -1.08 0.00 0.00 175.30 171.90 3iyl s PHE 126 N -2.93 0.21 0.01 5.89 0.08 0.17 -4.90 117.98 116.50 3iyl s PHE 126 Ca 0.65 -0.49 -0.16 0.00 0.12 0.00 0.00 56.93 57.05 3iyl s PHE 126 Cb -0.19 -0.16 -0.09 0.00 -0.57 0.00 0.00 43.02 42.02 3iyl s PHE 126 CO 0.58 -0.32 0.94 0.77 -0.10 0.00 0.00 175.22 177.09 3iyl h SER 127 N 3.92 -0.48 -3.12 1.36 0.02 -1.88 0.35 113.55 113.72 3iyl h SER 127 Ca -0.32 0.02 -0.68 0.00 -0.84 0.00 0.00 61.79 59.97 3iyl h SER 127 Cb 1.19 0.12 -0.13 0.00 0.14 0.00 0.00 62.40 63.72 3iyl h SER 127 CO 0.48 -0.26 -0.58 -0.89 -1.14 0.00 0.00 176.83 174.44 3iyl s THR 128 N -3.74 4.67 0.34 -2.27 2.01 -1.26 -4.57 115.64 110.81 3iyl s THR 128 Ca -0.08 -0.11 0.15 0.00 0.31 0.00 0.00 61.69 61.96 3iyl s THR 128 Cb 0.01 -2.99 0.36 0.00 0.01 0.00 0.00 72.50 69.89 3iyl s THR 128 CO 0.25 0.61 1.51 0.80 -0.69 0.00 0.00 174.62 177.10 3iyl n MET 129 N 2.11 -0.06 -0.08 4.92 1.56 -1.26 -0.03 117.12 124.28 3iyl n MET 129 Ca -0.19 1.36 -0.07 0.00 -0.27 0.00 0.00 57.70 58.52 3iyl n MET 129 Cb 0.54 -2.35 -0.01 0.00 2.15 0.00 0.00 33.22 33.55 3iyl n MET 129 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 3iyl h SER 130 N 0.00 -0.74 -0.02 6.12 0.87 -1.98 -0.44 113.55 117.36 3iyl h SER 130 Ca 0.75 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 61.46 3iyl h SER 130 Cb 1.88 0.37 -0.00 0.00 -0.44 0.00 0.00 62.40 64.21 3iyl h SER 130 CO -0.79 -0.26 0.02 0.00 -0.53 0.00 0.00 176.83 175.27 3iyl h ALA 131 N 0.93 1.71 0.00 6.23 0.00 -0.85 -0.53 119.26 126.75 3iyl h ALA 131 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3iyl h ALA 131 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3iyl h ALA 131 CO -0.42 -0.02 0.00 1.25 0.00 0.00 0.00 179.25 180.05 3iyl h LEU 132 N 0.00 0.00 -0.65 0.00 5.85 -0.97 -2.90 115.31 116.64 3iyl h LEU 132 Ca 0.01 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.59 3iyl h LEU 132 Cb 0.04 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3iyl h LEU 132 CO -0.00 0.00 -0.67 0.28 -0.34 0.00 0.00 178.44 177.71 3iyl h SER 133 N 0.00 0.00 0.18 1.25 0.02 -0.76 -2.96 113.55 111.28 3iyl h SER 133 Ca 0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 3iyl h SER 133 Cb 0.77 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 3iyl h SER 133 CO 0.00 0.67 -0.64 -0.33 -1.14 0.00 0.00 176.83 175.39 3iyl h GLU 134 N 0.00 0.44 -0.30 3.45 3.07 -1.52 0.15 114.58 119.87 3iyl h GLU 134 Ca -0.01 -0.32 -0.08 0.00 -0.50 0.00 0.00 59.36 58.45 3iyl h GLU 134 Cb 1.19 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.15 3iyl h GLU 134 CO 0.09 0.94 -0.12 1.25 -1.40 0.00 0.00 179.01 179.76 3iyl h HIS 135 N 0.32 0.71 0.00 4.33 2.76 -1.54 0.32 115.15 122.05 3iyl h HIS 135 Ca -0.01 -0.17 -0.02 0.00 -2.20 0.00 0.00 60.37 57.97 3iyl h HIS 135 Cb 1.19 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.99 3iyl h HIS 135 CO 0.04 0.83 -0.09 -0.07 -1.30 0.00 0.00 177.93 177.35 3iyl h LEU 136 N 0.38 0.00 0.06 0.26 3.38 -1.47 -0.88 115.31 117.04 3iyl h LEU 136 Ca 0.07 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.70 3iyl h LEU 136 Cb 0.64 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 3iyl h LEU 136 CO 0.04 0.09 -1.98 -1.14 0.09 0.00 0.00 178.44 175.54 3iyl n ARG 137 N -3.16 0.70 0.00 1.13 0.63 0.53 -4.29 116.66 112.20 3iyl n ARG 137 Ca 0.02 0.24 0.00 0.00 -0.92 0.00 0.00 57.85 57.19 3iyl n ARG 137 Cb 0.45 -1.70 0.00 0.00 0.45 0.00 0.00 32.46 31.66 3iyl n ARG 137 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3iyl n SER 138 N -3.24 0.00 -0.31 6.15 7.64 0.11 -4.52 113.62 119.45 3iyl n SER 138 Ca -0.28 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.68 3iyl n SER 138 Cb 1.05 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 64.45 3iyl n SER 138 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 3iyl h ASP 139 N 0.00 -0.58 -3.71 6.43 3.58 -1.50 -3.21 116.42 117.43 3iyl h ASP 139 Ca 0.00 0.26 -0.73 0.00 0.42 0.00 0.00 57.03 56.98 3iyl h ASP 139 Cb 0.00 0.48 -0.33 0.00 1.72 0.00 0.00 39.33 41.20 3iyl h ASP 139 CO 0.00 -0.29 -0.07 -1.00 -2.88 0.00 0.00 179.24 175.00 3iyl s HIS 140 N -6.12 3.77 0.00 0.28 3.76 -0.40 -5.04 115.29 111.54 3iyl s HIS 140 Ca -0.14 -2.72 0.00 0.00 -0.15 0.00 0.00 55.06 52.05 3iyl s HIS 140 Cb 0.26 -3.40 0.00 0.00 1.11 0.00 0.00 32.58 30.54 3iyl s HIS 140 CO 0.77 -0.84 0.00 -2.13 -0.85 0.00 0.00 174.74 171.69 3iyl n ARG 141 N 3.00 0.13 -2.95 1.40 3.00 -1.22 -4.34 116.66 115.68 3iyl n ARG 141 Ca 0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 58.00 3iyl n ARG 141 Cb 0.39 -0.01 -0.01 0.00 0.00 0.00 0.00 32.46 32.83 3iyl n ARG 141 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3iyl n ASN 155 N 0.00 -5.61 0.06 6.15 3.02 -1.26 -5.15 115.26 112.48 3iyl n ASN 155 Ca 0.00 1.02 -0.11 0.00 -0.03 0.00 0.00 54.58 55.46 3iyl n ASN 155 Cb 0.00 -2.75 -0.05 0.00 -0.61 0.00 0.00 39.78 36.37 3iyl n ASN 155 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iyl h ALA 156 N 4.53 -0.31 -3.31 5.41 0.00 -1.91 -3.42 119.26 120.24 3iyl h ALA 156 Ca -0.15 -0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.09 3iyl h ALA 156 Cb 0.47 0.41 -0.16 0.00 0.00 0.00 0.00 17.79 18.51 3iyl h ALA 156 CO 0.01 -0.73 -0.62 0.42 0.00 0.00 0.00 179.25 178.32 3iyl s ILE 157 N -6.08 4.29 -0.15 0.00 -1.09 -1.26 -1.82 121.20 115.09 3iyl s ILE 157 Ca -0.15 -0.24 0.02 0.00 -2.23 0.00 0.00 60.65 58.05 3iyl s ILE 157 Cb 0.09 -2.84 -0.11 0.00 -1.58 0.00 0.00 42.46 38.03 3iyl s ILE 157 CO 0.66 0.57 -0.12 -2.11 -1.23 0.00 0.00 174.94 172.71 3iyl n ARG 158 N 2.58 0.56 -4.07 2.79 1.85 -0.52 -4.52 116.66 115.34 3iyl n ARG 158 Ca -0.18 0.08 -0.14 0.00 -1.00 0.00 0.00 57.85 56.61 3iyl n ARG 158 Cb 0.53 -1.31 -0.04 0.00 -1.05 0.00 0.00 32.46 30.60 3iyl n ARG 158 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3iyl s SER 159 N -5.39 0.81 -0.49 2.89 1.04 -1.26 -0.95 113.70 110.37 3iyl s SER 159 Ca -0.19 -1.44 0.05 0.00 0.48 0.00 0.00 55.95 54.85 3iyl s SER 159 Cb 0.05 0.67 0.21 0.00 0.10 0.00 0.00 66.02 67.05 3iyl s SER 159 CO 0.37 -1.31 0.83 0.49 0.98 0.00 0.00 173.24 174.60 3iyl n PHE 160 N -0.55 -3.29 -1.60 5.02 3.72 -0.79 -3.91 117.46 116.07 3iyl n PHE 160 Ca 0.00 -1.37 -0.39 0.00 -0.05 0.00 0.00 57.45 55.64 3iyl n PHE 160 Cb 0.61 1.46 -0.03 0.00 -0.94 0.00 0.00 39.48 40.58 3iyl n PHE 160 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3iyl s LEU 161 N 0.42 3.42 0.12 4.37 0.20 -1.15 -3.42 118.68 122.64 3iyl s LEU 161 Ca 0.30 1.43 -0.31 0.00 0.69 0.00 0.00 54.13 56.24 3iyl s LEU 161 Cb 0.08 -2.97 -0.08 0.00 -0.43 0.00 0.00 46.19 42.80 3iyl s LEU 161 CO -0.11 -2.46 1.31 0.42 -0.29 0.00 0.00 176.35 175.23 3iyl s THR 162 N 10.38 3.49 0.12 3.68 -4.23 -1.25 -2.34 115.64 125.48 3iyl s THR 162 Ca 0.98 1.11 -0.19 0.00 -1.18 0.00 0.00 61.69 62.41 3iyl s THR 162 Cb -0.24 -3.71 -0.05 0.00 1.34 0.00 0.00 72.50 69.84 3iyl s THR 162 CO 0.30 0.11 1.76 0.00 -0.54 0.00 0.00 174.62 176.25 3iyl h ALA 163 N 6.40 0.32 -0.22 3.99 0.00 -1.75 1.38 119.26 129.38 3iyl h ALA 163 Ca -0.43 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 3iyl h ALA 163 Cb 1.21 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3iyl h ALA 163 CO 0.82 -0.19 -0.30 0.11 0.00 0.00 0.00 179.25 179.69 3iyl h TRP 164 N 0.32 0.72 0.00 0.00 0.09 -1.93 -3.33 115.95 111.81 3iyl h TRP 164 Ca 0.09 -0.24 -0.13 0.00 0.09 0.00 0.00 58.89 58.70 3iyl h TRP 164 Cb -0.00 -0.14 -0.02 0.00 0.08 0.00 0.00 29.16 29.07 3iyl h TRP 164 CO -0.05 0.96 -1.33 -3.47 0.09 0.00 0.00 178.44 174.63 3iyl n ASP 165 N -4.33 0.85 -3.67 0.11 2.03 -1.22 -5.01 116.55 105.31 3iyl n ASP 165 Ca -0.05 0.36 -0.30 0.00 0.52 0.00 0.00 54.79 55.32 3iyl n ASP 165 Cb 0.47 0.24 0.04 0.00 -0.72 0.00 0.00 41.12 41.15 3iyl n ASP 165 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3iyl n ASP 166 N -2.84 -4.85 -3.60 1.67 5.75 0.47 -4.97 116.55 108.18 3iyl n ASP 166 Ca -0.08 -0.99 -0.27 0.00 -0.01 0.00 0.00 54.79 53.45 3iyl n ASP 166 Cb 0.78 -3.51 -0.17 0.00 -1.03 0.00 0.00 41.12 37.19 3iyl n ASP 166 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3iyl s ILE 167 N -3.50 -0.06 -0.66 2.12 -4.36 -1.25 -4.90 121.20 108.58 3iyl s ILE 167 Ca 0.42 -0.32 -0.26 0.00 -0.26 0.00 0.00 60.65 60.23 3iyl s ILE 167 Cb -0.14 -0.69 -0.11 0.00 1.25 0.00 0.00 42.46 42.77 3iyl s ILE 167 CO 0.85 -0.38 2.42 0.54 0.24 0.00 0.00 174.94 178.61 3iyl n ARG 168 N 5.26 0.76 -2.41 0.37 1.74 -1.26 -3.85 116.66 117.27 3iyl n ARG 168 Ca -0.07 -0.46 -0.42 0.00 -0.77 0.00 0.00 57.85 56.14 3iyl n ARG 168 Cb 0.47 -3.53 -0.03 0.00 -1.02 0.00 0.00 32.46 28.36 3iyl n ARG 168 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3iyl s ILE 169 N 13.45 3.80 0.41 0.55 1.01 -1.22 -4.75 121.20 134.45 3iyl s ILE 169 Ca 0.96 0.68 -0.13 0.00 0.00 0.00 0.00 60.65 62.17 3iyl s ILE 169 Cb -0.17 -4.47 -0.07 0.00 0.01 0.00 0.00 42.46 37.76 3iyl s ILE 169 CO 0.17 -1.19 0.80 -0.76 0.00 0.00 0.00 174.94 173.97 3iyl s LEU 170 N 5.97 3.85 0.54 2.97 1.02 -1.26 -1.89 118.68 129.88 3iyl s LEU 170 Ca 0.51 1.26 -0.19 0.00 0.02 0.00 0.00 54.13 55.73 3iyl s LEU 170 Cb -0.10 -4.13 -0.06 0.00 0.02 0.00 0.00 46.19 41.92 3iyl s LEU 170 CO 0.25 -0.39 1.09 -0.94 0.02 0.00 0.00 176.35 176.38 3iyl s SER 171 N -2.92 5.89 0.00 2.29 1.04 -0.12 -4.70 113.70 115.18 3iyl s SER 171 Ca 0.54 2.03 0.00 0.00 0.48 0.00 0.00 55.95 58.99 3iyl s SER 171 Cb -0.10 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.45 3iyl s SER 171 CO 0.28 -1.10 0.00 -0.81 0.98 0.00 0.00 173.24 172.59 3iyl n PRO 172 N -1.38 1.56 -0.67 4.02 -0.04 -1.26 -4.99 135.00 132.24 3iyl n PRO 172 Ca 0.10 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.54 3iyl n PRO 172 Cb 0.52 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.97 3iyl n PRO 172 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3iyl n ASP 184 N 0.00 -0.35 0.00 3.54 2.03 -1.26 -5.18 116.55 115.33 3iyl n ASP 184 Ca 0.00 -0.66 0.00 0.00 0.52 0.00 0.00 54.79 54.65 3iyl n ASP 184 Cb 0.00 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 3iyl n ASP 184 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3iyl n SER 185 N 3.30 0.00 -4.74 1.67 3.41 -1.26 -4.46 113.62 111.53 3iyl n SER 185 Ca 0.02 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.34 3iyl n SER 185 Cb 0.11 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.20 3iyl n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iyl s ALA 186 N 0.00 1.57 -0.49 7.33 0.00 -1.26 -4.97 121.76 123.94 3iyl s ALA 186 Ca 0.00 -0.33 -0.27 0.00 0.00 0.00 0.00 51.96 51.36 3iyl s ALA 186 Cb 0.00 -3.10 0.03 0.00 0.00 0.00 0.00 23.12 20.05 3iyl s ALA 186 CO 0.00 -2.36 1.07 0.08 0.00 0.00 0.00 175.76 174.54 3iyl s VAL 187 N -3.09 4.27 -0.25 0.00 1.01 -1.26 -4.96 120.40 116.11 3iyl s VAL 187 Ca 0.64 0.96 -0.31 0.00 0.00 0.00 0.00 61.98 63.27 3iyl s VAL 187 Cb -0.16 -4.57 -0.08 0.00 0.00 0.00 0.00 36.38 31.57 3iyl s VAL 187 CO 0.55 -1.02 2.19 0.00 0.00 0.00 0.00 175.10 176.83 3iyl n ALA 188 N 7.70 1.49 -2.02 5.51 0.00 -1.26 -4.86 120.51 127.07 3iyl n ALA 188 Ca 0.09 -0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.18 3iyl n ALA 188 Cb 0.49 -2.77 0.06 0.00 0.00 0.00 0.00 19.45 17.23 3iyl n ALA 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3iyl s ASN 189 N 7.71 5.13 0.35 0.00 4.22 -1.26 -5.04 114.94 126.05 3iyl s ASN 189 Ca 1.03 -0.64 -0.02 0.00 -2.14 0.00 0.00 52.86 51.09 3iyl s ASN 189 Cb -0.54 -0.02 -0.04 0.00 1.28 0.00 0.00 41.25 41.93 3iyl s ASN 189 CO 0.41 -1.28 0.59 -0.83 -2.04 0.00 0.00 177.10 173.95 3iyl s GLY 190 N -4.59 1.54 0.19 0.45 0.00 -1.26 -4.69 107.32 98.95 3iyl s GLY 190 Ca 0.61 -0.72 -0.30 0.00 0.00 0.00 0.00 44.72 44.31 3iyl s GLY 190 CO 0.38 -0.63 0.98 2.56 0.00 0.00 0.00 173.10 176.40 3iyl s PRO 191 N -4.13 4.74 -0.60 2.90 0.04 -1.26 -4.82 135.00 131.88 3iyl s PRO 191 Ca 0.43 1.53 -0.23 0.00 0.04 0.00 0.00 61.00 62.77 3iyl s PRO 191 Cb -0.10 -3.31 -0.20 0.00 0.04 0.00 0.00 34.50 30.94 3iyl s PRO 191 CO 0.35 0.32 1.85 -1.91 0.04 0.00 0.00 177.00 177.65 3iyl n GLU 192 N 2.07 1.19 0.00 4.56 2.13 -1.08 -4.73 120.64 124.79 3iyl n GLU 192 Ca 0.00 -1.63 0.05 0.00 0.66 0.00 0.00 57.16 56.25 3iyl n GLU 192 Cb 0.47 -2.79 0.26 0.00 0.27 0.00 0.00 31.44 29.66 3iyl n GLU 192 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3iyl n LEU 193 N 7.57 0.00 -3.65 4.31 4.77 -1.26 -4.55 117.00 124.19 3iyl n LEU 193 Ca 0.48 0.37 -0.29 0.00 -0.03 0.00 0.00 56.01 56.54 3iyl n LEU 193 Cb 0.39 -0.37 -0.15 0.00 -2.33 0.00 0.00 43.42 40.95 3iyl n LEU 193 CO 1.05 -0.23 -0.33 -0.63 -1.33 0.00 0.00 177.39 175.91 3iyl s ILE 194 N -2.74 0.47 0.12 -0.08 1.01 -1.26 -5.01 121.20 113.70 3iyl s ILE 194 Ca 0.08 -1.12 0.10 0.00 0.00 0.00 0.00 60.65 59.72 3iyl s ILE 194 Cb 0.07 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 3iyl s ILE 194 CO 0.18 -0.70 -0.25 -0.63 0.00 0.00 0.00 174.94 173.54 3iyl s ILE 195 N 1.83 2.12 -0.27 2.92 1.01 -1.26 -5.07 121.20 122.47 3iyl s ILE 195 Ca 0.09 -1.70 -0.24 0.00 0.00 0.00 0.00 60.65 58.81 3iyl s ILE 195 Cb -0.17 -1.88 0.08 0.00 0.01 0.00 0.00 42.46 40.50 3iyl s ILE 195 CO -0.30 0.06 0.75 -1.83 0.00 0.00 0.00 174.94 173.61 3iyl s GLU 196 N -2.01 0.79 -0.03 2.79 -1.05 -1.26 -0.96 118.70 116.97 3iyl s GLU 196 Ca 0.12 0.98 0.03 0.00 -0.15 0.00 0.00 54.97 55.95 3iyl s GLU 196 Cb -0.10 0.36 0.00 0.00 -0.44 0.00 0.00 34.13 33.95 3iyl s GLU 196 CO 0.05 -0.10 -0.11 0.16 0.95 0.00 0.00 175.26 176.22 3iyl s ASP 197 N 0.51 1.41 0.00 0.83 1.47 -0.75 -3.47 116.67 116.67 3iyl s ASP 197 Ca -0.01 -0.22 0.29 0.00 1.18 0.00 0.00 52.55 53.79 3iyl s ASP 197 Cb -0.05 -0.40 1.35 0.00 -0.34 0.00 0.00 42.92 43.48 3iyl s ASP 197 CO -0.02 0.08 1.92 0.35 0.68 0.00 0.00 175.17 178.17 3iyl n THR 198 N 3.30 0.00 -1.96 2.11 -2.24 -1.23 -3.81 114.28 110.45 3iyl n THR 198 Ca -0.19 -0.14 -0.28 0.00 -2.27 0.00 0.00 64.05 61.17 3iyl n THR 198 Cb 0.54 0.09 0.09 0.00 -2.10 0.00 0.00 70.33 68.94 3iyl n THR 198 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3iyl s GLY 199 N -2.08 1.61 0.05 3.38 0.00 -1.25 -4.85 107.32 104.18 3iyl s GLY 199 Ca 0.40 -0.72 -0.38 0.00 0.00 0.00 0.00 44.72 44.02 3iyl s GLY 199 CO 0.37 -0.24 1.17 1.04 0.00 0.00 0.00 173.10 175.44 3iyl n LEU 200 N -3.24 0.74 -3.89 0.66 4.77 -1.04 -4.65 117.00 110.34 3iyl n LEU 200 Ca 0.08 1.14 -0.42 0.00 -0.03 0.00 0.00 56.01 56.78 3iyl n LEU 200 Cb 0.61 -1.05 -0.00 0.00 -2.33 0.00 0.00 43.42 40.64 3iyl n LEU 200 CO 0.56 -1.54 2.52 0.00 -1.33 0.00 0.00 177.39 177.60 3iyl s THR 202 N 3.53 0.09 0.00 0.00 -4.23 -1.26 -3.78 115.64 109.99 3iyl s THR 202 Ca 0.49 -1.49 0.08 0.00 -1.18 0.00 0.00 61.69 59.59 3iyl s THR 202 Cb 0.12 -1.80 0.13 0.00 1.34 0.00 0.00 72.50 72.29 3iyl s THR 202 CO -0.05 -0.42 1.01 -1.54 -0.54 0.00 0.00 174.62 173.08 3iyl n SER 203 N -0.15 -0.25 -3.39 3.99 3.41 -1.26 -3.44 113.62 112.53 3iyl n SER 203 Ca -0.08 -1.91 -0.24 0.00 -0.26 0.00 0.00 58.87 56.38 3iyl n SER 203 Cb 0.63 0.06 -0.10 0.00 -0.26 0.00 0.00 64.21 64.55 3iyl n SER 203 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3iyl s PHE 204 N 0.00 0.39 0.54 7.33 0.40 -1.26 -1.40 117.98 123.97 3iyl s PHE 204 Ca 0.10 -1.47 -0.07 0.00 -0.60 0.00 0.00 56.93 54.89 3iyl s PHE 204 Cb 0.12 -0.71 -0.03 0.00 0.51 0.00 0.00 43.02 42.91 3iyl s PHE 204 CO -0.05 -0.89 0.87 0.00 0.70 0.00 0.00 175.22 175.85 3iyl s MET 205 N 0.99 3.49 -0.98 0.44 0.23 -1.16 -4.94 119.30 117.37 3iyl s MET 205 Ca 0.21 0.35 -0.01 0.00 -1.03 0.00 0.00 55.69 55.21 3iyl s MET 205 Cb -0.15 -2.27 0.33 0.00 -1.53 0.00 0.00 34.83 31.20 3iyl s MET 205 CO -0.04 -0.37 1.89 1.28 -2.03 0.00 0.00 175.02 175.75 3iyl n LEU 206 N -2.45 7.42 -4.74 0.18 4.77 -1.26 -2.62 117.00 118.30 3iyl n LEU 206 Ca 0.03 -5.24 -0.42 0.00 -0.03 0.00 0.00 56.01 50.35 3iyl n LEU 206 Cb 0.55 -1.14 -0.02 0.00 -2.33 0.00 0.00 43.42 40.47 3iyl n LEU 206 CO 0.55 1.97 1.26 -0.22 -1.33 0.00 0.00 177.39 179.62 3iyl s LEU 207 N -4.25 4.36 0.25 2.23 0.20 -1.23 -4.27 118.68 115.98 3iyl s LEU 207 Ca 0.43 2.84 -0.18 0.00 0.69 0.00 0.00 54.13 57.90 3iyl s LEU 207 Cb 0.26 -3.62 -0.08 0.00 -0.43 0.00 0.00 46.19 42.32 3iyl s LEU 207 CO -0.21 -0.89 0.72 1.51 -0.29 0.00 0.00 176.35 177.20 3iyl s ASP 208 N 0.77 6.95 0.00 3.68 -4.77 -1.26 -2.41 116.67 119.63 3iyl s ASP 208 Ca 0.67 1.36 0.00 0.00 -3.30 0.00 0.00 52.55 51.28 3iyl s ASP 208 Cb -0.47 -2.40 0.00 0.00 -1.09 0.00 0.00 42.92 38.96 3iyl s ASP 208 CO 0.40 -0.05 0.00 0.59 0.70 0.00 0.00 175.17 176.82 3iyl n ASN 209 N 0.36 0.00 -4.64 2.11 3.02 0.19 -4.86 115.26 111.45 3iyl n ASN 209 Ca -0.00 0.04 -0.43 0.00 -0.03 0.00 0.00 54.58 54.16 3iyl n ASN 209 Cb 0.52 -0.19 -0.02 0.00 -0.61 0.00 0.00 39.78 39.47 3iyl n ASN 209 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3iyl s ILE 210 N -0.38 4.55 0.77 2.41 -1.09 -0.98 -4.94 121.20 121.55 3iyl s ILE 210 Ca 0.00 1.67 -0.15 0.00 -2.23 0.00 0.00 60.65 59.94 3iyl s ILE 210 Cb 0.00 -4.38 0.04 0.00 -1.58 0.00 0.00 42.46 36.55 3iyl s ILE 210 CO 0.00 -0.44 1.04 -2.65 -1.23 0.00 0.00 174.94 171.66 3iyl n PRO 211 N 6.76 0.32 -2.54 2.79 -0.02 -1.26 -2.09 135.00 138.96 3iyl n PRO 211 Ca 0.11 0.17 -0.40 0.00 -2.02 0.00 0.00 63.50 61.36 3iyl n PRO 211 Cb 0.47 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.60 3iyl n PRO 211 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3iyl s SER 212 N -1.87 7.36 0.00 2.55 0.15 -1.26 -3.90 113.70 116.73 3iyl s SER 212 Ca 0.72 2.19 -0.04 0.00 0.70 0.00 0.00 55.95 59.52 3iyl s SER 212 Cb -0.31 -2.62 -0.19 0.00 -1.71 0.00 0.00 66.02 61.18 3iyl s SER 212 CO 0.51 -0.07 2.75 0.00 1.20 0.00 0.00 173.24 177.64 3iyl n ALA 213 N 1.26 4.91 -2.88 5.45 0.00 -1.26 -4.81 120.51 123.17 3iyl n ALA 213 Ca -0.01 -1.29 -0.24 0.00 0.00 0.00 0.00 53.44 51.90 3iyl n ALA 213 Cb 0.45 -2.25 0.02 0.00 0.00 0.00 0.00 19.45 17.68 3iyl n ALA 213 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3iyl n HIS 214 N 2.58 -1.59 -2.13 0.00 8.25 -1.26 -4.97 115.22 116.09 3iyl n HIS 214 Ca 0.30 0.67 -0.27 0.00 -0.26 0.00 0.00 57.72 58.16 3iyl n HIS 214 Cb 0.67 -1.22 0.10 0.00 1.12 0.00 0.00 29.99 30.65 3iyl n HIS 214 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3iyl s LEU 215 N -1.64 2.75 -0.97 2.41 2.01 -1.26 -5.00 118.68 116.98 3iyl s LEU 215 Ca 0.23 0.40 -0.13 0.00 0.01 0.00 0.00 54.13 54.64 3iyl s LEU 215 Cb -0.02 -2.88 0.23 0.00 0.01 0.00 0.00 46.19 43.53 3iyl s LEU 215 CO 0.52 -1.89 0.98 0.42 1.01 0.00 0.00 176.35 177.39 3iyl s THR 216 N -3.42 5.63 0.00 5.49 -4.23 -1.26 -4.97 115.64 112.88 3iyl s THR 216 Ca 0.64 -2.74 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 3iyl s THR 216 Cb -0.09 -4.58 0.00 0.00 1.34 0.00 0.00 72.50 69.17 3iyl s THR 216 CO 0.47 -1.18 0.00 0.29 -0.54 0.00 0.00 174.62 173.66 3iyl n LYS 217 N 3.89 0.00 0.00 3.99 4.76 -1.26 -4.80 118.16 124.74 3iyl n LYS 217 Ca 0.20 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 3iyl n LYS 217 Cb 0.44 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.63 3iyl n LYS 217 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 3iyl n GLU 218 N -0.27 0.00 -2.41 1.97 4.07 -1.26 -4.76 120.64 117.98 3iyl n GLU 218 Ca 0.00 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.67 3iyl n GLU 218 Cb 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.36 3iyl n GLU 218 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 3iyl s LEU 219 N 0.00 4.14 0.00 4.31 2.96 -1.26 -5.01 118.68 123.81 3iyl s LEU 219 Ca 0.00 1.63 0.00 0.00 -0.22 0.00 0.00 54.13 55.54 3iyl s LEU 219 Cb 0.00 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.15 3iyl s LEU 219 CO 0.00 -0.82 0.00 -0.38 -1.32 0.00 0.00 176.35 173.83 3iyl n ILE 220 N 5.51 0.00 -0.83 6.68 5.41 -1.26 -4.93 119.36 129.94 3iyl n ILE 220 Ca 0.14 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.60 3iyl n ILE 220 Cb 0.45 -1.05 0.20 0.00 -0.71 0.00 0.00 39.64 38.53 3iyl n ILE 220 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3iyl s GLY 221 N -0.83 1.59 0.88 7.39 0.00 -1.26 -4.99 107.32 110.10 3iyl s GLY 221 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 44.72 44.60 3iyl s GLY 221 CO 0.00 0.58 1.11 -1.36 0.00 0.00 0.00 173.10 173.43 3iyl s PHE 222 N -2.69 1.98 -0.58 1.90 0.40 0.15 -4.61 117.98 114.53 3iyl s PHE 222 Ca 0.66 1.62 0.04 0.00 -0.60 0.00 0.00 56.93 58.65 3iyl s PHE 222 Cb -0.22 -3.21 0.14 0.00 0.51 0.00 0.00 43.02 40.24 3iyl s PHE 222 CO 0.60 -2.52 0.34 0.99 0.70 0.00 0.00 175.22 175.33 3iyl s THR 223 N -2.75 2.78 -0.26 0.64 2.01 -1.26 0.12 115.64 116.92 3iyl s THR 223 Ca 0.65 -3.56 -0.29 0.00 0.31 0.00 0.00 61.69 58.79 3iyl s THR 223 Cb -0.21 -2.89 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 3iyl s THR 223 CO 0.58 -0.86 1.38 0.86 -0.69 0.00 0.00 174.62 175.88 3iyl s TRP 224 N -0.60 2.56 0.00 4.92 -0.11 -0.67 -4.69 118.94 120.34 3iyl s TRP 224 Ca 0.19 0.80 0.00 0.00 1.22 0.00 0.00 56.10 58.31 3iyl s TRP 224 Cb -0.20 -3.87 0.00 0.00 -1.50 0.00 0.00 33.47 27.90 3iyl s TRP 224 CO -0.05 -2.04 0.00 1.19 -4.62 0.00 0.00 176.95 171.43 3iyl n PHE 225 N 7.66 0.00 -0.05 5.86 0.99 -1.26 -1.48 117.46 129.19 3iyl n PHE 225 Ca 0.16 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.50 3iyl n PHE 225 Cb 0.46 0.00 -0.04 0.00 -1.00 0.00 0.00 39.48 38.90 3iyl n PHE 225 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.76 176.64 3iyl n MET 226 N 0.00 0.31 -0.89 -1.08 1.56 -1.26 -5.04 117.12 110.73 3iyl n MET 226 Ca 0.00 0.13 -0.34 0.00 -0.27 0.00 0.00 57.70 57.22 3iyl n MET 226 Cb 0.00 -1.03 0.08 0.00 2.15 0.00 0.00 33.22 34.42 3iyl n MET 226 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 3iyl n GLN 227 N -3.87 -0.19 -3.68 2.12 6.02 -0.55 -4.97 117.38 112.27 3iyl n GLN 227 Ca -0.19 -0.03 -0.30 0.00 -0.01 0.00 0.00 57.00 56.47 3iyl n GLN 227 Cb 0.50 -1.46 -0.14 0.00 1.02 0.00 0.00 30.24 30.16 3iyl n GLN 227 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 3iyl s MET 228 N -2.88 0.78 -0.45 -1.09 -2.45 -1.26 -1.67 119.30 110.28 3iyl s MET 228 Ca 0.49 -1.27 -0.29 0.00 -1.25 0.00 0.00 55.69 53.37 3iyl s MET 228 Cb -0.19 -1.91 0.02 0.00 1.25 0.00 0.00 34.83 34.00 3iyl s MET 228 CO 0.74 -1.06 1.33 0.71 1.05 0.00 0.00 175.02 177.80 3iyl s TYR 229 N 1.30 2.50 -0.01 4.11 1.51 0.33 -4.74 117.35 122.36 3iyl s TYR 229 Ca 0.13 0.66 -0.15 0.00 -1.01 0.00 0.00 57.07 56.70 3iyl s TYR 229 Cb -0.20 -4.36 -0.06 0.00 -0.11 0.00 0.00 41.96 37.24 3iyl s TYR 229 CO -0.17 -1.78 0.41 -0.65 -1.11 0.00 0.00 175.55 172.25 3iyl s GLN 230 N 4.86 3.96 0.04 -0.62 -0.21 -1.26 0.31 119.66 126.74 3iyl s GLN 230 Ca 0.57 0.41 0.09 0.00 0.02 0.00 0.00 55.36 56.44 3iyl s GLN 230 Cb -0.11 -3.24 -0.03 0.00 1.00 0.00 0.00 33.01 30.63 3iyl s GLN 230 CO 0.32 0.64 -0.24 1.41 -2.12 0.00 0.00 175.29 175.30 3iyl s MET 231 N -0.92 1.89 -0.00 2.91 1.75 -1.26 -4.98 119.30 118.68 3iyl s MET 231 Ca 0.24 -1.07 -0.30 0.00 -1.25 0.00 0.00 55.69 53.31 3iyl s MET 231 Cb -0.17 -2.04 -0.06 0.00 2.84 0.00 0.00 34.83 35.40 3iyl s MET 231 CO 0.13 0.52 1.62 0.99 -0.65 0.00 0.00 175.02 177.63 3iyl s THR 232 N -0.83 3.42 -0.37 10.11 2.01 -1.26 -4.90 115.64 123.83 3iyl s THR 232 Ca 0.12 0.69 -0.36 0.00 0.31 0.00 0.00 61.69 62.46 3iyl s THR 232 Cb -0.10 -3.44 -0.12 0.00 0.01 0.00 0.00 72.50 68.85 3iyl s THR 232 CO 0.03 -0.03 2.19 -0.81 -0.69 0.00 0.00 174.62 175.31 3iyl n PRO 233 N 6.35 0.99 -0.34 4.92 -0.04 -1.26 -4.83 135.00 140.78 3iyl n PRO 233 Ca 0.16 0.27 0.22 0.00 -0.04 0.00 0.00 63.50 64.11 3iyl n PRO 233 Cb 0.42 -2.40 0.46 0.00 -0.04 0.00 0.00 33.50 31.95 3iyl n PRO 233 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3iyl h PRO 234 N 12.24 0.42 -6.26 0.54 0.11 -1.90 -3.42 132.00 133.72 3iyl h PRO 234 Ca -0.26 -0.03 -0.57 0.00 0.11 0.00 0.00 66.00 65.26 3iyl h PRO 234 Cb 1.33 -0.10 -0.09 0.00 0.11 0.00 0.00 31.00 32.25 3iyl h PRO 234 CO 1.03 0.28 -0.62 -0.51 -0.21 0.00 0.00 178.00 177.97 3iyl s LEU 235 N -10.04 3.46 0.26 2.35 1.43 -1.26 -4.61 118.68 110.26 3iyl s LEU 235 Ca -0.10 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.32 3iyl s LEU 235 Cb 0.27 -2.05 -0.10 0.00 0.03 0.00 0.00 46.19 44.34 3iyl s LEU 235 CO 0.80 0.04 1.47 -2.16 0.23 0.00 0.00 176.35 176.73 3iyl s PRO 236 N -3.29 4.24 0.32 1.29 0.04 -1.26 -5.01 135.00 131.33 3iyl s PRO 236 Ca 0.30 2.35 0.10 0.00 0.04 0.00 0.00 61.00 63.79 3iyl s PRO 236 Cb -0.09 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.31 3iyl s PRO 236 CO 0.21 -0.46 -0.07 -1.21 0.04 0.00 0.00 177.00 175.51 3iyl s GLU 237 N -0.42 1.95 0.00 4.56 2.02 -1.26 -4.71 118.70 120.85 3iyl s GLU 237 Ca 0.60 -1.76 0.00 0.00 0.02 0.00 0.00 54.97 53.83 3iyl s GLU 237 Cb -0.43 -1.87 0.00 0.00 0.10 0.00 0.00 34.13 31.94 3iyl s GLU 237 CO 0.44 0.21 0.00 0.41 0.02 0.00 0.00 175.26 176.34 3iyl n GLY 238 N -0.83 3.01 0.00 -1.39 0.00 -1.26 -4.63 105.19 100.09 3iyl n GLY 238 Ca -0.05 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.32 3iyl n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iyl n ALA 239 N 0.33 0.00 -3.95 4.61 0.00 -0.89 -3.76 120.51 116.86 3iyl n ALA 239 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3iyl n ALA 239 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 3iyl n ALA 239 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iyl s VAL 240 N 0.00 1.30 -0.34 0.00 1.01 -1.17 -0.74 120.40 120.46 3iyl s VAL 240 Ca 0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 3iyl s VAL 240 Cb 0.00 -1.32 0.04 0.00 0.00 0.00 0.00 36.38 35.10 3iyl s VAL 240 CO 0.00 0.32 0.10 0.20 0.00 0.00 0.00 175.10 175.72 3iyl s ASN 241 N 1.58 5.29 0.72 3.32 0.01 -0.12 0.54 114.94 126.29 3iyl s ASN 241 Ca 0.03 -1.13 -0.03 0.00 -0.71 0.00 0.00 52.86 51.02 3iyl s ASN 241 Cb -0.14 -1.86 0.11 0.00 0.41 0.00 0.00 41.25 39.77 3iyl s ASN 241 CO -0.09 -0.32 0.70 0.54 -1.51 0.00 0.00 177.10 176.42 3iyl n ARG 242 N 4.81 -0.14 -3.56 -0.60 1.74 -1.01 -1.44 116.66 116.46 3iyl n ARG 242 Ca -0.13 -1.60 -0.31 0.00 -0.77 0.00 0.00 57.85 55.04 3iyl n ARG 242 Cb 0.45 -0.55 -0.08 0.00 -1.02 0.00 0.00 32.46 31.26 3iyl n ARG 242 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3iyl n ILE 243 N -2.57 2.68 -2.41 0.55 5.41 -1.14 -3.54 119.36 118.34 3iyl n ILE 243 Ca 0.10 -5.19 -0.43 0.00 1.00 0.00 0.00 62.75 58.24 3iyl n ILE 243 Cb 0.37 -2.19 -0.02 0.00 -0.71 0.00 0.00 39.64 37.09 3iyl n ILE 243 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3iyl s VAL 244 N -1.99 4.10 0.15 1.39 1.01 -1.08 -4.73 120.40 119.26 3iyl s VAL 244 Ca 0.32 1.23 -0.31 0.00 0.00 0.00 0.00 61.98 63.22 3iyl s VAL 244 Cb 0.03 -4.17 -0.11 0.00 0.00 0.00 0.00 36.38 32.13 3iyl s VAL 244 CO -0.07 -0.53 1.82 0.00 0.00 0.00 0.00 175.10 176.32 3iyl s MET 246 N 2.39 0.55 0.47 0.00 -1.94 -0.49 -2.09 119.30 118.20 3iyl s MET 246 Ca 0.80 0.13 -0.22 0.00 -1.71 0.00 0.00 55.69 54.69 3iyl s MET 246 Cb -0.47 -0.08 -0.10 0.00 2.01 0.00 0.00 34.83 36.19 3iyl s MET 246 CO 0.36 -1.08 0.83 0.25 -0.01 0.00 0.00 175.02 175.36 3iyl n THR 247 N 5.12 2.45 -4.34 2.05 -2.24 -0.61 -2.66 114.28 114.06 3iyl n THR 247 Ca 0.05 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 61.01 3iyl n THR 247 Cb 0.52 -0.94 -0.10 0.00 -2.10 0.00 0.00 70.33 67.71 3iyl n THR 247 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3iyl n ASN 248 N 0.50 0.72 0.07 3.42 3.02 -1.22 -4.80 115.26 116.97 3iyl n ASN 248 Ca 0.11 -1.28 -0.05 0.00 -0.03 0.00 0.00 54.58 53.33 3iyl n ASN 248 Cb 0.41 -1.60 -0.09 0.00 -0.61 0.00 0.00 39.78 37.89 3iyl n ASN 248 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 3iyl h TRP 249 N -1.72 0.00 -0.31 3.10 5.08 -1.63 -3.23 115.95 117.25 3iyl h TRP 249 Ca -0.65 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.30 3iyl h TRP 249 Cb 1.40 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.55 3iyl h TRP 249 CO 0.54 0.90 0.00 0.00 -1.28 0.00 0.00 178.44 178.60 3iyl n ALA 250 N -2.34 3.18 -1.90 0.11 0.00 -1.26 -5.01 120.51 113.28 3iyl n ALA 250 Ca -0.01 -2.30 -0.42 0.00 0.00 0.00 0.00 53.44 50.71 3iyl n ALA 250 Cb 0.91 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 19.55 3iyl n ALA 250 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3iyl s SER 251 N -1.81 6.57 -0.30 0.00 0.15 -1.22 -2.51 113.70 114.57 3iyl s SER 251 Ca 0.44 2.58 0.15 0.00 0.70 0.00 0.00 55.95 59.82 3iyl s SER 251 Cb 0.36 -2.58 0.47 0.00 -1.71 0.00 0.00 66.02 62.56 3iyl s SER 251 CO 0.09 -0.88 1.10 -0.11 1.20 0.00 0.00 173.24 174.65 3iyl n LEU 252 N 4.91 2.95 -4.80 3.45 7.94 -1.26 -4.86 117.00 125.33 3iyl n LEU 252 Ca 0.15 -3.95 -0.28 0.00 -1.11 0.00 0.00 56.01 50.82 3iyl n LEU 252 Cb 0.39 0.10 -0.05 0.00 0.53 0.00 0.00 43.42 44.39 3iyl n LEU 252 CO 0.63 1.60 -0.12 -0.83 -1.11 0.00 0.00 177.39 177.56 3iyl s GLY 253 N -3.59 2.60 0.15 -3.96 0.00 -1.26 -3.48 107.32 97.78 3iyl s GLY 253 Ca 0.37 -1.22 -0.25 0.00 0.00 0.00 0.00 44.72 43.61 3iyl s GLY 253 CO -0.02 -2.03 1.59 1.29 0.00 0.00 0.00 173.10 173.93 3iyl h ASP 254 N 1.18 -1.16 -2.89 1.64 2.03 -1.97 -3.47 116.42 111.78 3iyl h ASP 254 Ca -0.41 0.19 -0.13 0.00 -0.73 0.00 0.00 57.03 55.94 3iyl h ASP 254 Cb 1.29 0.52 -0.03 0.00 -0.83 0.00 0.00 39.33 40.28 3iyl h ASP 254 CO 0.67 -0.35 -0.00 -0.62 -1.03 0.00 0.00 179.24 177.91 3iyl n GLU 255 N -5.42 0.56 -3.73 4.15 -0.58 -1.26 -5.14 120.64 109.23 3iyl n GLU 255 Ca -0.01 -1.74 -0.13 0.00 -0.42 0.00 0.00 57.16 54.87 3iyl n GLU 255 Cb 0.34 1.81 -0.10 0.00 -0.57 0.00 0.00 31.44 32.92 3iyl n GLU 255 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3iyl s GLY 256 N -2.42 -0.31 -0.76 0.62 0.00 -1.26 -4.64 107.32 98.54 3iyl s GLY 256 Ca 0.16 1.22 -0.24 0.00 0.00 0.00 0.00 44.72 45.86 3iyl s GLY 256 CO 0.12 1.11 2.40 -0.96 0.00 0.00 0.00 173.10 175.77 3iyl n ARG 257 N 3.09 0.57 -0.74 2.90 1.85 -1.26 -4.72 116.66 118.35 3iyl n ARG 257 Ca -0.15 -0.54 -0.09 0.00 -1.00 0.00 0.00 57.85 56.07 3iyl n ARG 257 Cb 0.57 -3.24 -0.10 0.00 -1.05 0.00 0.00 32.46 28.64 3iyl n ARG 257 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3iyl n GLY 258 N 6.47 -0.21 0.00 2.89 0.00 -1.26 -4.63 105.19 108.44 3iyl n GLY 258 Ca 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 3iyl n GLY 258 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3iyl n LEU 259 N 2.80 0.00 0.00 0.99 7.94 -1.26 -4.73 117.00 122.74 3iyl n LEU 259 Ca 0.29 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.19 3iyl n LEU 259 Cb 0.11 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.06 3iyl n LEU 259 CO 0.52 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 176.18 3iyl n GLU 260 N 0.00 0.05 -3.52 1.96 1.02 -1.26 -3.82 120.64 115.07 3iyl n GLU 260 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.90 3iyl n GLU 260 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.28 3iyl n GLU 260 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3iyl s VAL 261 N -1.41 -0.19 -0.38 2.62 1.01 -1.26 -4.79 120.40 116.00 3iyl s VAL 261 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.51 3iyl s VAL 261 Cb 0.00 -0.86 0.11 0.00 0.00 0.00 0.00 36.38 35.63 3iyl s VAL 261 CO 0.00 -0.51 0.13 -0.13 0.00 0.00 0.00 175.10 174.59 3iyl s ARG 262 N 2.20 1.72 -0.09 2.72 1.81 -1.26 -1.57 118.95 124.47 3iyl s ARG 262 Ca 0.07 -1.91 -0.14 0.00 -1.72 0.00 0.00 55.73 52.03 3iyl s ARG 262 Cb -0.15 -3.36 -0.05 0.00 -0.45 0.00 0.00 34.95 30.93 3iyl s ARG 262 CO -0.27 -1.00 0.35 -0.51 -0.68 0.00 0.00 175.30 173.18 3iyl s LEU 263 N 0.91 4.35 0.56 2.53 1.43 -0.89 -4.97 118.68 122.59 3iyl s LEU 263 Ca 0.10 0.71 -0.17 0.00 -1.03 0.00 0.00 54.13 53.75 3iyl s LEU 263 Cb -0.21 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.49 3iyl s LEU 263 CO -0.06 0.20 1.05 -2.16 0.23 0.00 0.00 176.35 175.60 3iyl s PRO 264 N -0.21 3.50 0.64 1.29 0.04 -1.26 -4.56 135.00 134.44 3iyl s PRO 264 Ca 0.20 1.24 -0.17 0.00 0.04 0.00 0.00 61.00 62.31 3iyl s PRO 264 Cb -0.15 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.26 3iyl s PRO 264 CO 0.08 -0.67 0.42 -0.35 0.04 0.00 0.00 177.00 176.53 3iyl n PRO 265 N -1.69 0.36 0.23 0.56 -0.04 -1.26 -4.66 135.00 128.50 3iyl n PRO 265 Ca 0.09 0.15 0.02 0.00 -0.04 0.00 0.00 63.50 63.72 3iyl n PRO 265 Cb 0.53 -1.67 0.10 0.00 -0.04 0.00 0.00 33.50 32.42 3iyl n PRO 265 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3iyl h PRO 266 N -0.08 0.00 0.00 0.54 0.11 -1.93 0.83 132.00 131.47 3iyl h PRO 266 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3iyl h PRO 266 Cb 1.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.49 3iyl h PRO 266 CO 0.44 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.48 3iyl n THR 267 N -2.13 0.02 -4.39 -1.15 -2.24 -1.25 -1.66 114.28 101.48 3iyl n THR 267 Ca -0.00 0.01 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 3iyl n THR 267 Cb 0.76 -0.57 -0.10 0.00 -2.10 0.00 0.00 70.33 68.31 3iyl n THR 267 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3iyl s ASP 268 N -2.08 2.53 -0.72 3.42 1.01 0.28 -4.79 116.67 116.32 3iyl s ASP 268 Ca 0.39 -1.17 -0.26 0.00 0.71 0.00 0.00 52.55 52.23 3iyl s ASP 268 Cb 0.19 -0.13 -0.04 0.00 1.01 0.00 0.00 42.92 43.95 3iyl s ASP 268 CO 0.33 -0.35 1.99 -0.94 0.21 0.00 0.00 175.17 176.41 3iyl s SER 269 N -3.39 5.04 0.00 0.27 1.04 -1.26 -4.73 113.70 110.66 3iyl s SER 269 Ca 0.28 0.02 0.22 0.00 0.48 0.00 0.00 55.95 56.94 3iyl s SER 269 Cb 0.03 -2.54 1.11 0.00 0.10 0.00 0.00 66.02 64.72 3iyl s SER 269 CO 0.10 -2.67 1.69 -0.24 0.98 0.00 0.00 173.24 173.10 3iyl n SER 270 N 13.95 0.00 -0.32 7.02 2.88 -1.26 -4.06 113.62 131.84 3iyl n SER 270 Ca 0.31 -0.08 0.14 0.00 -1.33 0.00 0.00 58.87 57.91 3iyl n SER 270 Cb 0.50 -0.26 0.29 0.00 -0.75 0.00 0.00 64.21 63.99 3iyl n SER 270 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 3iyl h VAL 271 N 0.00 0.13 -0.52 2.46 3.04 -1.92 -2.90 116.25 116.54 3iyl h VAL 271 Ca 0.00 -0.02 0.10 0.00 -1.01 0.00 0.00 66.70 65.77 3iyl h VAL 271 Cb 0.19 0.06 -0.10 0.00 -2.01 0.00 0.00 31.29 29.42 3iyl h VAL 271 CO 0.00 0.01 -0.15 1.12 -1.01 0.00 0.00 177.57 177.54 3iyl h HIS 272 N 0.07 -0.34 0.00 3.17 2.07 -1.83 -1.29 115.15 117.00 3iyl h HIS 272 Ca 0.58 0.05 0.00 0.00 -2.85 0.00 0.00 60.37 58.15 3iyl h HIS 272 Cb 1.20 0.23 0.00 0.00 2.57 0.00 0.00 27.41 31.41 3iyl h HIS 272 CO -0.40 -0.24 0.02 0.00 -3.07 0.00 0.00 177.93 174.23 3iyl n ALA 273 N -2.92 0.97 -1.48 6.11 0.00 -1.09 -1.76 120.51 120.33 3iyl n ALA 273 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.29 3iyl n ALA 273 Cb 0.29 -0.95 0.13 0.00 0.00 0.00 0.00 19.45 18.91 3iyl n ALA 273 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3iyl n TYR 274 N -1.46 2.37 -3.12 0.00 4.02 -0.48 -4.75 117.16 113.73 3iyl n TYR 274 Ca 0.00 -2.16 -0.21 0.00 -0.01 0.00 0.00 57.90 55.52 3iyl n TYR 274 Cb 0.02 -0.82 -0.04 0.00 -0.02 0.00 0.00 39.34 38.49 3iyl n TYR 274 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3iyl n LYS 275 N -1.00 1.63 0.00 -0.72 5.02 -0.72 -4.63 118.16 117.73 3iyl n LYS 275 Ca 0.49 -3.82 0.00 0.00 -2.02 0.00 0.00 58.31 52.96 3iyl n LYS 275 Cb 1.06 -1.85 0.00 0.00 -0.02 0.00 0.00 35.03 34.22 3iyl n LYS 275 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3iyl n THR 276 N 0.19 0.00 0.00 -0.18 -1.04 -1.26 -4.27 114.28 107.71 3iyl n THR 276 Ca 0.27 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 3iyl n THR 276 Cb 0.57 -0.65 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 3iyl n THR 276 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3iyl n VAL 277 N -0.54 0.00 0.96 12.58 0.31 -1.26 -3.77 118.33 126.60 3iyl n VAL 277 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.43 3iyl n VAL 277 Cb 0.00 -0.04 -0.08 0.00 -0.91 0.00 0.00 33.84 32.82 3iyl n VAL 277 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3iyl n LEU 278 N 0.00 1.33 -0.12 7.52 4.77 -1.26 -4.58 117.00 124.66 3iyl n LEU 278 Ca 0.00 -0.59 -0.05 0.00 -0.03 0.00 0.00 56.01 55.34 3iyl n LEU 278 Cb 0.00 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 3iyl n LEU 278 CO 0.00 0.29 0.92 0.28 -1.33 0.00 0.00 177.39 177.54 3iyl h SER 279 N 0.85 0.05 -1.71 -1.43 0.02 -1.84 -3.44 113.55 106.04 3iyl h SER 279 Ca 0.00 0.06 -0.68 0.00 -0.84 0.00 0.00 61.79 60.33 3iyl h SER 279 Cb 0.57 0.07 0.06 0.00 0.14 0.00 0.00 62.40 63.24 3iyl h SER 279 CO 0.00 0.06 0.37 0.54 -1.14 0.00 0.00 176.83 176.67 3iyl n ARG 280 N -5.07 1.08 0.00 3.45 1.74 -1.26 -3.49 116.66 113.11 3iyl n ARG 280 Ca 0.03 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 3iyl n ARG 280 Cb 0.17 -1.98 0.00 0.00 -1.02 0.00 0.00 32.46 29.64 3iyl n ARG 280 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iyl n GLY 281 N 2.32 2.31 0.12 -0.13 0.00 -1.26 -4.81 105.19 103.74 3iyl n GLY 281 Ca 0.18 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 45.28 3iyl n GLY 281 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3iyl n TYR 282 N 0.00 0.29 -1.76 1.61 0.18 -1.25 -4.96 117.16 111.27 3iyl n TYR 282 Ca 0.00 0.08 -0.42 0.00 1.88 0.00 0.00 57.90 59.44 3iyl n TYR 282 Cb 0.00 -1.04 -0.03 0.00 -0.38 0.00 0.00 39.34 37.89 3iyl n TYR 282 CO 0.00 0.00 0.00 -1.50 -2.08 0.00 0.00 176.86 173.28 3iyl s ILE 283 N -2.53 2.17 0.27 -3.48 2.07 -1.23 -4.95 121.20 113.53 3iyl s ILE 283 Ca -0.24 0.10 -0.30 0.00 -1.41 0.00 0.00 60.65 58.80 3iyl s ILE 283 Cb 0.08 -3.06 -0.10 0.00 0.13 0.00 0.00 42.46 39.50 3iyl s ILE 283 CO 0.71 0.01 1.47 -1.81 -1.91 0.00 0.00 174.94 173.41 3iyl s ASP 284 N 1.29 6.58 0.28 4.50 1.01 -1.26 -4.83 116.67 124.23 3iyl s ASP 284 Ca 0.74 2.76 0.08 0.00 0.71 0.00 0.00 52.55 56.84 3iyl s ASP 284 Cb -0.48 -2.63 0.43 0.00 1.01 0.00 0.00 42.92 41.25 3iyl s ASP 284 CO 0.32 -0.75 1.08 -0.46 0.21 0.00 0.00 175.17 175.57 3iyl n ASN 285 N 2.10 0.21 -1.28 0.27 6.94 -1.26 0.13 115.26 122.36 3iyl n ASN 285 Ca 0.06 0.43 0.11 0.00 -0.02 0.00 0.00 54.58 55.16 3iyl n ASN 285 Cb 0.40 -0.34 0.31 0.00 -2.36 0.00 0.00 39.78 37.79 3iyl n ASN 285 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3iyl n ALA 286 N -1.44 2.43 -3.35 -2.53 0.00 -1.26 -4.67 120.51 109.69 3iyl n ALA 286 Ca -0.01 -1.22 -0.14 0.00 0.00 0.00 0.00 53.44 52.07 3iyl n ALA 286 Cb 0.42 -0.95 -0.09 0.00 0.00 0.00 0.00 19.45 18.83 3iyl n ALA 286 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3iyl s GLN 287 N -1.12 0.66 0.39 0.00 1.03 0.12 -4.34 119.66 116.40 3iyl s GLN 287 Ca 0.46 0.35 0.01 0.00 0.04 0.00 0.00 55.36 56.22 3iyl s GLN 287 Cb 0.24 0.31 -0.02 0.00 0.03 0.00 0.00 33.01 33.58 3iyl s GLN 287 CO 0.31 -0.14 0.59 -0.59 -2.54 0.00 0.00 175.29 172.92 3iyl s PHE 288 N -0.42 3.31 -0.51 9.60 -0.12 -0.61 -4.41 117.98 124.81 3iyl s PHE 288 Ca -0.06 0.21 -0.22 0.00 -0.05 0.00 0.00 56.93 56.82 3iyl s PHE 288 Cb -0.03 -2.11 0.05 0.00 -0.63 0.00 0.00 43.02 40.30 3iyl s PHE 288 CO 0.03 -0.13 0.76 1.21 -0.05 0.00 0.00 175.22 177.05 3iyl s ASN 289 N -4.14 6.29 0.48 1.98 3.84 -1.26 -2.30 114.94 119.83 3iyl s ASN 289 Ca 0.45 -0.58 0.13 0.00 0.21 0.00 0.00 52.86 53.07 3iyl s ASN 289 Cb -0.10 -2.36 1.12 0.00 -0.55 0.00 0.00 41.25 39.37 3iyl s ASN 289 CO 0.36 -1.02 2.12 -0.65 -2.79 0.00 0.00 177.10 175.12 3iyl h PRO 290 N 9.11 0.19 -0.50 0.43 0.11 -1.88 -2.52 132.00 136.94 3iyl h PRO 290 Ca -0.27 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.76 3iyl h PRO 290 Cb 1.09 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3iyl h PRO 290 CO 1.01 0.13 0.01 -0.07 -0.21 0.00 0.00 178.00 178.87 3iyl h LEU 291 N 0.20 0.79 -5.04 2.35 3.38 -1.91 -3.17 115.31 111.91 3iyl h LEU 291 Ca 0.06 -0.19 -0.73 0.00 0.09 0.00 0.00 57.88 57.11 3iyl h LEU 291 Cb -0.01 -0.21 -0.31 0.00 0.09 0.00 0.00 40.66 40.23 3iyl h LEU 291 CO -0.01 0.85 0.64 0.00 0.09 0.00 0.00 178.44 180.01 3iyl n ALA 292 N -2.47 6.12 -0.01 1.53 0.00 -0.95 -2.60 120.51 122.13 3iyl n ALA 292 Ca 0.03 -4.23 -0.20 0.00 0.00 0.00 0.00 53.44 49.03 3iyl n ALA 292 Cb 0.30 -1.68 -0.14 0.00 0.00 0.00 0.00 19.45 17.93 3iyl n ALA 292 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3iyl h LEU 293 N 3.04 0.31 -0.94 0.00 5.85 -1.48 -2.67 115.31 119.41 3iyl h LEU 293 Ca 0.50 -0.84 -0.08 0.00 0.84 0.00 0.00 57.88 58.30 3iyl h LEU 293 Cb 0.25 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3iyl h LEU 293 CO 1.27 1.50 -0.05 -0.09 -0.34 0.00 0.00 178.44 180.74 3iyl h ARG 294 N -0.47 0.72 -0.19 1.25 2.43 -1.72 0.98 114.38 117.37 3iyl h ARG 294 Ca -0.25 -0.20 -0.10 0.00 -0.81 0.00 0.00 59.98 58.62 3iyl h ARG 294 Cb 1.61 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 31.07 3iyl h ARG 294 CO 0.03 0.76 -0.31 1.03 -1.51 0.00 0.00 179.97 179.98 3iyl h SER 295 N 0.66 0.38 1.11 -3.80 0.87 -1.86 -1.80 113.55 109.11 3iyl h SER 295 Ca 0.13 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3iyl h SER 295 Cb 0.48 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3iyl h SER 295 CO 0.02 0.68 -0.52 0.78 -0.53 0.00 0.00 176.83 177.27 3iyl h ASN 296 N 0.33 0.00 0.53 6.23 2.35 -1.04 -3.15 115.58 120.82 3iyl h ASN 296 Ca 0.04 -0.12 -0.20 0.00 -0.55 0.00 0.00 56.30 55.47 3iyl h ASN 296 Cb 0.71 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.04 3iyl h ASN 296 CO 0.05 0.06 -1.63 0.52 -1.65 0.00 0.00 177.43 174.79 3iyl n VAL 297 N -2.33 1.20 -0.09 2.81 0.31 0.29 -2.60 118.33 117.91 3iyl n VAL 297 Ca 0.03 -0.72 -0.13 0.00 -0.01 0.00 0.00 64.34 63.52 3iyl n VAL 297 Cb 0.47 -0.70 -0.05 0.00 -0.91 0.00 0.00 33.84 32.65 3iyl n VAL 297 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3iyl h LEU 298 N 0.00 0.61 -0.96 7.52 5.85 -1.40 -1.02 115.31 125.90 3iyl h LEU 298 Ca -0.22 -0.44 -0.11 0.00 0.84 0.00 0.00 57.88 57.95 3iyl h LEU 298 Cb 1.70 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.55 3iyl h LEU 298 CO 0.05 0.92 -0.50 -0.07 -0.34 0.00 0.00 178.44 178.49 3iyl h LEU 299 N 0.30 0.00 -0.54 2.25 4.07 -1.67 -0.57 115.31 119.14 3iyl h LEU 299 Ca 0.05 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.86 3iyl h LEU 299 Cb 0.72 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.46 3iyl h LEU 299 CO 0.05 0.50 -0.47 -0.03 -1.08 0.00 0.00 178.44 177.41 3iyl h MET 300 N 0.00 0.64 0.08 1.13 4.05 -1.28 -2.88 114.93 116.67 3iyl h MET 300 Ca -0.01 -0.36 -0.25 0.00 -0.28 0.00 0.00 59.70 58.80 3iyl h MET 300 Cb 0.92 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.75 3iyl h MET 300 CO 0.07 0.97 -1.13 -0.07 0.23 0.00 0.00 176.91 176.97 3iyl h LEU 301 N 0.51 0.41 -3.00 3.39 3.38 -1.00 -2.89 115.31 116.11 3iyl h LEU 301 Ca 0.03 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3iyl h LEU 301 Cb 1.01 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3iyl h LEU 301 CO 0.09 1.28 0.00 0.25 0.09 0.00 0.00 178.44 180.15 3iyl h LEU 302 N 0.11 0.00 0.00 1.67 5.85 -1.00 0.38 115.31 122.32 3iyl h LEU 302 Ca -0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3iyl h LEU 302 Cb 1.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.86 3iyl h LEU 302 CO 0.19 0.00 -1.45 0.00 -0.34 0.00 0.00 178.44 176.84 3iyl n GLN 303 N -3.08 0.61 0.20 1.25 6.02 -1.10 -2.67 117.38 118.61 3iyl n GLN 303 Ca -0.03 -0.03 0.10 0.00 -0.01 0.00 0.00 57.00 57.04 3iyl n GLN 303 Cb 0.07 -1.68 0.13 0.00 1.02 0.00 0.00 30.24 29.79 3iyl n GLN 303 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 3iyl h PHE 304 N 0.00 0.00 0.00 1.08 3.57 -0.18 -2.17 116.94 119.24 3iyl h PHE 304 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3iyl h PHE 304 Cb 0.98 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.72 3iyl h PHE 304 CO 0.00 0.08 0.00 2.41 -2.23 0.00 0.00 178.31 178.57 3iyl n THR 305 N -3.08 0.00 -0.31 4.41 -1.04 0.43 -3.45 114.28 111.23 3iyl n THR 305 Ca 0.03 0.34 0.12 0.00 -2.04 0.00 0.00 64.05 62.50 3iyl n THR 305 Cb 0.57 -1.07 0.23 0.00 -1.82 0.00 0.00 70.33 68.24 3iyl n THR 305 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3iyl n LEU 306 N -1.64 -0.15 -0.13 -4.42 7.99 -1.09 0.13 117.00 117.69 3iyl n LEU 306 Ca 0.00 1.53 -0.04 0.00 -0.01 0.00 0.00 56.01 57.48 3iyl n LEU 306 Cb 0.00 -0.54 0.02 0.00 -0.11 0.00 0.00 43.42 42.79 3iyl n LEU 306 CO 0.00 -1.53 0.77 -1.28 -1.51 0.00 0.00 177.39 173.84 3iyl h SER 307 N 0.00 -0.45 -0.01 -1.43 0.87 -1.49 -1.44 113.55 109.60 3iyl h SER 307 Ca 0.52 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 61.21 3iyl h SER 307 Cb 1.02 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 3iyl h SER 307 CO -0.86 -0.16 0.00 0.59 -0.53 0.00 0.00 176.83 175.87 3iyl n ASN 308 N -5.34 0.59 -4.46 6.23 3.02 0.34 -4.70 115.26 110.94 3iyl n ASN 308 Ca 0.03 -2.01 -0.44 0.00 -0.03 0.00 0.00 54.58 52.13 3iyl n ASN 308 Cb 0.25 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 3iyl n ASN 308 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3iyl n LEU 309 N -0.22 5.24 -4.19 3.41 4.77 -0.55 -4.31 117.00 121.16 3iyl n LEU 309 Ca 0.00 -4.41 -0.12 0.00 -0.03 0.00 0.00 56.01 51.46 3iyl n LEU 309 Cb 0.14 -1.63 -0.10 0.00 -2.33 0.00 0.00 43.42 39.50 3iyl n LEU 309 CO 0.00 0.69 -0.29 -0.54 -1.33 0.00 0.00 177.39 175.92 3iyl s LYS 310 N 1.82 1.06 0.14 3.23 1.02 -1.26 -4.81 119.74 120.95 3iyl s LYS 310 Ca 0.44 -1.53 0.02 0.00 0.02 0.00 0.00 55.97 54.92 3iyl s LYS 310 Cb -0.02 0.09 -0.04 0.00 -0.52 0.00 0.00 37.83 37.35 3iyl s LYS 310 CO 0.01 -0.26 0.29 0.42 -0.92 0.00 0.00 175.35 174.89 3iyl s ILE 311 N -3.96 5.32 -0.92 2.17 1.01 -0.13 -4.79 121.20 119.90 3iyl s ILE 311 Ca 0.28 -0.60 -0.08 0.00 0.00 0.00 0.00 60.65 60.25 3iyl s ILE 311 Cb 0.07 -3.72 0.23 0.00 0.01 0.00 0.00 42.46 39.05 3iyl s ILE 311 CO 0.05 -0.07 0.86 0.20 0.00 0.00 0.00 174.94 175.98 3iyl s ASN 312 N -3.11 6.58 0.50 3.58 -0.87 -1.26 -1.81 114.94 118.55 3iyl s ASN 312 Ca 0.35 -3.30 -0.20 0.00 -1.57 0.00 0.00 52.86 48.13 3iyl s ASN 312 Cb -0.11 -2.09 -0.10 0.00 -0.02 0.00 0.00 41.25 38.93 3iyl s ASN 312 CO 0.28 -0.34 0.61 1.17 -2.57 0.00 0.00 177.10 176.25 3iyl n LYS 313 N 3.03 0.65 0.00 -0.60 3.00 -1.25 -1.21 118.16 121.79 3iyl n LYS 313 Ca 0.19 0.25 0.15 0.00 -0.00 0.00 0.00 58.31 58.89 3iyl n LYS 313 Cb 0.40 -1.69 0.69 0.00 0.00 0.00 0.00 35.03 34.43 3iyl n LYS 313 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3iyl n SER 314 N 0.73 0.41 0.00 3.14 3.41 -0.34 -4.48 113.62 116.49 3iyl n SER 314 Ca 0.11 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 58.03 3iyl n SER 314 Cb 0.44 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 3iyl n SER 314 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3iyl n SER 315 N -0.90 -1.41 -3.84 4.04 2.88 -1.26 -4.72 113.62 108.41 3iyl n SER 315 Ca 0.17 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.44 3iyl n SER 315 Cb 0.25 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.54 3iyl n SER 315 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3iyl s THR 316 N 0.00 0.82 0.86 2.46 -4.23 -1.26 -5.05 115.64 109.24 3iyl s THR 316 Ca 0.00 -0.33 -0.12 0.00 -1.18 0.00 0.00 61.69 60.06 3iyl s THR 316 Cb 0.00 -0.99 0.11 0.00 1.34 0.00 0.00 72.50 72.96 3iyl s THR 316 CO 0.00 0.19 1.16 -0.36 -0.54 0.00 0.00 174.62 175.06 3iyl s PHE 317 N 1.77 2.73 -0.16 3.99 0.40 -1.26 -0.72 117.98 124.73 3iyl s PHE 317 Ca 0.03 0.80 -0.06 0.00 -0.60 0.00 0.00 56.93 57.10 3iyl s PHE 317 Cb -0.14 -3.44 0.07 0.00 0.51 0.00 0.00 43.02 40.02 3iyl s PHE 317 CO -0.07 -2.08 0.34 0.95 0.70 0.00 0.00 175.22 175.06 3iyl s THR 318 N -3.42 -0.43 -0.12 0.64 -4.23 -0.42 -4.69 115.64 102.97 3iyl s THR 318 Ca 0.63 0.21 -0.31 0.00 -1.18 0.00 0.00 61.69 61.03 3iyl s THR 318 Cb -0.13 -0.54 -0.09 0.00 1.34 0.00 0.00 72.50 73.08 3iyl s THR 318 CO 0.51 0.09 2.05 -1.54 -0.54 0.00 0.00 174.62 175.19 3iyl n SER 319 N 5.16 3.48 -4.73 3.99 3.41 -1.26 -3.16 113.62 120.50 3iyl n SER 319 Ca -0.10 0.66 -0.41 0.00 -0.26 0.00 0.00 58.87 58.75 3iyl n SER 319 Cb 0.50 -1.46 -0.04 0.00 -0.26 0.00 0.00 64.21 62.96 3iyl n SER 319 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3iyl s ASP 320 N 5.82 7.20 -0.24 4.04 -1.08 -0.54 -4.95 116.67 126.92 3iyl s ASP 320 Ca 0.96 2.05 0.10 0.00 -0.52 0.00 0.00 52.55 55.14 3iyl s ASP 320 Cb -0.53 -2.59 0.44 0.00 -1.46 0.00 0.00 42.92 38.78 3iyl s ASP 320 CO 0.44 -0.31 1.20 0.52 0.52 0.00 0.00 175.17 177.54 3iyl n VAL 321 N 2.93 2.30 -2.61 1.11 0.31 -1.26 -1.76 118.33 119.35 3iyl n VAL 321 Ca 0.05 -3.63 -0.42 0.00 -0.01 0.00 0.00 64.34 60.32 3iyl n VAL 321 Cb 0.46 -0.59 0.01 0.00 -0.91 0.00 0.00 33.84 32.81 3iyl n VAL 321 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3iyl n THR 322 N -0.90 5.24 0.00 2.52 -1.04 -1.26 -4.86 114.28 113.98 3iyl n THR 322 Ca 0.30 -5.33 0.00 0.00 -2.04 0.00 0.00 64.05 56.98 3iyl n THR 322 Cb 0.83 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 67.29 3iyl n THR 322 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3iyl n THR 323 N 1.61 0.00 -0.33 12.58 -2.24 -1.26 -2.86 114.28 121.78 3iyl n THR 323 Ca 0.39 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 62.36 3iyl n THR 323 Cb 0.31 0.00 0.38 0.00 -2.10 0.00 0.00 70.33 68.92 3iyl n THR 323 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3iyl h ILE 324 N 0.00 0.10 -0.71 2.28 2.10 -1.97 0.70 117.51 120.00 3iyl h ILE 324 Ca 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.92 3iyl h ILE 324 Cb 0.00 0.02 0.00 0.00 -1.09 0.00 0.00 36.82 35.75 3iyl h ILE 324 CO 0.00 0.01 0.00 0.35 -1.08 0.00 0.00 178.15 177.43 3iyl n THR 325 N -5.34 0.98 -1.76 2.19 -2.24 -1.13 -4.86 114.28 102.12 3iyl n THR 325 Ca 0.27 -0.99 -0.42 0.00 -2.27 0.00 0.00 64.05 60.64 3iyl n THR 325 Cb 0.90 0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 69.62 3iyl n THR 325 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3iyl s SER 326 N -1.02 6.38 0.00 3.42 0.15 0.24 -2.11 113.70 120.77 3iyl s SER 326 Ca 0.48 2.90 0.00 0.00 0.70 0.00 0.00 55.95 60.03 3iyl s SER 326 Cb 0.25 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 3iyl s SER 326 CO 0.33 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.43 3iyl n GLY 327 N 3.09 1.73 3.74 9.45 0.00 -0.72 -4.96 105.19 117.52 3iyl n GLY 327 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3iyl n GLY 327 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iyl s ARG 328 N -0.05 4.66 -0.72 1.61 1.81 -0.90 -4.83 118.95 120.53 3iyl s ARG 328 Ca 0.00 1.64 -0.19 0.00 -1.72 0.00 0.00 55.73 55.46 3iyl s ARG 328 Cb 0.00 -3.28 0.11 0.00 -0.45 0.00 0.00 34.95 31.33 3iyl s ARG 328 CO 0.00 0.19 0.89 -1.64 -0.68 0.00 0.00 175.30 174.06 3iyl s MET 329 N -0.56 3.25 0.90 3.54 -1.94 -1.26 -1.47 119.30 121.76 3iyl s MET 329 Ca 0.47 -1.40 -0.12 0.00 -1.71 0.00 0.00 55.69 52.94 3iyl s MET 329 Cb -0.28 -4.44 0.20 0.00 2.01 0.00 0.00 34.83 32.32 3iyl s MET 329 CO 0.34 -1.66 1.23 0.44 -0.01 0.00 0.00 175.02 175.36 3iyl n ILE 330 N 5.51 0.00 -4.47 2.53 -5.35 -1.19 -2.93 119.36 113.46 3iyl n ILE 330 Ca 0.03 -1.16 -0.34 0.00 -0.27 0.00 0.00 62.75 61.01 3iyl n ILE 330 Cb 0.45 -1.32 -0.11 0.00 -1.74 0.00 0.00 39.64 36.92 3iyl n ILE 330 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3iyl s ARG 331 N -5.66 3.09 0.00 6.28 0.52 -1.26 -1.30 118.95 120.62 3iyl s ARG 331 Ca 0.73 -0.49 0.00 0.00 -0.52 0.00 0.00 55.73 55.45 3iyl s ARG 331 Cb -0.03 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.69 3iyl s ARG 331 CO 0.50 0.56 0.50 0.00 0.02 0.00 0.00 175.30 176.88 3iyl n ALA 332 N 2.56 -0.00 -1.21 2.13 0.00 0.10 -4.87 120.51 119.22 3iyl n ALA 332 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3iyl n ALA 332 Cb 0.53 0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.13 3iyl n ALA 332 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3iyl n PHE 333 N -0.80 0.00 0.13 0.00 0.99 -1.26 -4.70 117.46 111.82 3iyl n PHE 333 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.32 3iyl n PHE 333 Cb 0.00 -1.77 -0.08 0.00 -1.00 0.00 0.00 39.48 36.63 3iyl n PHE 333 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 3iyl h GLU 334 N 0.00 -0.30 -0.45 -1.08 5.08 -1.95 -3.08 114.58 112.80 3iyl h GLU 334 Ca 0.00 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3iyl h GLU 334 Cb 0.81 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.07 3iyl h GLU 334 CO 0.00 -0.02 -0.25 0.41 -1.00 0.00 0.00 179.01 178.15 3iyl n GLY 335 N -0.51 -1.14 2.81 -3.84 0.00 -1.26 -3.85 105.19 97.40 3iyl n GLY 335 Ca -0.09 0.53 -0.15 0.00 0.00 0.00 0.00 46.02 46.31 3iyl n GLY 335 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3iyl s ARG 336 N -5.25 0.33 0.32 1.61 1.70 -1.24 -5.03 118.95 111.38 3iyl s ARG 336 Ca -0.06 0.06 0.15 0.00 -0.47 0.00 0.00 55.73 55.41 3iyl s ARG 336 Cb 0.06 -0.64 0.81 0.00 -0.57 0.00 0.00 34.95 34.61 3iyl s ARG 336 CO 0.29 -0.92 1.38 -0.35 -1.08 0.00 0.00 175.30 174.61 3iyl n PRO 337 N 5.33 0.10 -0.31 3.89 -0.04 -1.17 -2.31 135.00 140.49 3iyl n PRO 337 Ca -0.02 0.58 0.12 0.00 -0.04 0.00 0.00 63.50 64.14 3iyl n PRO 337 Cb 0.48 -2.05 0.35 0.00 -0.04 0.00 0.00 33.50 32.23 3iyl n PRO 337 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3iyl h GLU 338 N 0.00 0.73 -0.58 0.54 5.08 -1.95 -2.45 114.58 115.96 3iyl h GLU 338 Ca 0.00 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3iyl h GLU 338 Cb 0.44 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 3iyl h GLU 338 CO 0.00 0.48 0.31 -0.07 -1.00 0.00 0.00 179.01 178.74 3iyl h LEU 339 N 0.75 0.47 -1.92 1.33 3.38 -1.81 -2.85 115.31 114.66 3iyl h LEU 339 Ca 0.50 0.03 0.49 0.00 0.09 0.00 0.00 57.88 58.98 3iyl h LEU 339 Cb 0.77 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.38 3iyl h LEU 339 CO -0.26 0.32 1.25 0.25 0.09 0.00 0.00 178.44 180.08 3iyl h LEU 340 N 0.60 0.00 0.33 1.67 5.85 -1.68 0.27 115.31 122.35 3iyl h LEU 340 Ca 0.25 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 3iyl h LEU 340 Cb 0.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3iyl h LEU 340 CO -0.16 0.00 -0.16 0.00 -0.34 0.00 0.00 178.44 177.78 3iyl h ALA 341 N 1.08 -0.56 0.26 1.25 0.00 -1.68 -3.33 119.26 116.27 3iyl h ALA 341 Ca 0.79 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.61 3iyl h ALA 341 Cb 3.28 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 21.20 3iyl h ALA 341 CO -0.01 -0.53 -0.51 -0.07 0.00 0.00 0.00 179.25 178.13 3iyl h LEU 342 N -0.85 -1.49 -0.45 0.00 3.38 -0.77 -3.22 115.31 111.91 3iyl h LEU 342 Ca -0.04 0.14 0.07 0.00 0.09 0.00 0.00 57.88 58.14 3iyl h LEU 342 Cb 0.34 0.53 -0.07 0.00 0.09 0.00 0.00 40.66 41.54 3iyl h LEU 342 CO 0.07 -0.59 -0.17 0.00 0.09 0.00 0.00 178.44 177.85 3iyl n ALA 343 N -2.88 -0.04 -3.90 1.53 0.00 0.60 -3.33 120.51 112.49 3iyl n ALA 343 Ca -0.10 0.45 -0.31 0.00 0.00 0.00 0.00 53.44 53.48 3iyl n ALA 343 Cb 0.42 -0.21 -0.13 0.00 0.00 0.00 0.00 19.45 19.54 3iyl n ALA 343 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3iyl s TYR 344 N -5.43 3.23 0.12 0.00 1.51 -1.22 -1.96 117.35 113.60 3iyl s TYR 344 Ca -0.06 -3.09 -0.30 0.00 -1.01 0.00 0.00 57.07 52.61 3iyl s TYR 344 Cb 0.09 -2.90 -0.07 0.00 -0.11 0.00 0.00 41.96 38.97 3iyl s TYR 344 CO 0.32 -0.76 1.25 -2.14 -1.11 0.00 0.00 175.55 173.11 3iyl s PRO 345 N -0.27 4.42 0.00 -1.71 0.02 -1.21 -2.76 135.00 133.49 3iyl s PRO 345 Ca 0.17 1.89 0.00 0.00 0.02 0.00 0.00 61.00 63.08 3iyl s PRO 345 Cb -0.25 -3.28 0.00 0.00 0.02 0.00 0.00 34.50 30.99 3iyl s PRO 345 CO -0.01 -0.24 0.00 0.41 -0.33 0.00 0.00 177.00 176.83 3iyl n GLY 346 N 2.89 2.49 3.59 0.52 0.00 -1.26 -4.99 105.19 108.42 3iyl n GLY 346 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3iyl n GLY 346 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3iyl s ARG 347 N -0.31 3.35 -0.50 1.61 3.52 -1.11 -3.77 118.95 121.74 3iyl s ARG 347 Ca 0.00 0.90 -0.03 0.00 -0.13 0.00 0.00 55.73 56.48 3iyl s ARG 347 Cb 0.00 -4.13 0.00 0.00 -1.56 0.00 0.00 34.95 29.26 3iyl s ARG 347 CO 0.00 -1.86 0.51 0.00 -0.81 0.00 0.00 175.30 173.14 3iyl n ALA 348 N 9.79 -2.43 -2.59 6.12 0.00 -1.26 -4.99 120.51 125.15 3iyl n ALA 348 Ca 0.17 0.21 -0.40 0.00 0.00 0.00 0.00 53.44 53.42 3iyl n ALA 348 Cb 0.48 -1.54 -0.08 0.00 0.00 0.00 0.00 19.45 18.32 3iyl n ALA 348 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iyl s VAL 349 N -2.81 5.07 -0.19 0.00 1.01 -1.25 -5.00 120.40 117.23 3iyl s VAL 349 Ca 0.04 0.61 -0.29 0.00 0.00 0.00 0.00 61.98 62.34 3iyl s VAL 349 Cb -0.01 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3iyl s VAL 349 CO 0.57 -0.01 1.48 -0.22 0.00 0.00 0.00 175.10 176.92 3iyl s LEU 350 N 2.28 4.04 0.00 3.92 2.96 -1.26 -4.85 118.68 125.77 3iyl s LEU 350 Ca 0.19 1.67 0.00 0.00 -0.22 0.00 0.00 54.13 55.77 3iyl s LEU 350 Cb -0.16 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.00 3iyl s LEU 350 CO 0.11 -1.05 0.04 -2.65 -1.32 0.00 0.00 176.35 171.48 3iyl n PRO 351 N 7.25 0.00 -1.69 0.98 -0.02 -1.26 -4.65 135.00 135.61 3iyl n PRO 351 Ca 0.17 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.48 3iyl n PRO 351 Cb 0.45 -1.12 -0.09 0.00 -0.02 0.00 0.00 33.50 32.72 3iyl n PRO 351 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3iyl s THR 352 N -0.82 3.12 -0.95 3.45 -1.32 -1.26 -4.84 115.64 113.02 3iyl s THR 352 Ca 0.00 -0.18 -0.24 0.00 -1.21 0.00 0.00 61.69 60.06 3iyl s THR 352 Cb 0.00 -3.87 -0.24 0.00 -1.51 0.00 0.00 72.50 66.88 3iyl s THR 352 CO 0.00 -0.23 2.51 0.00 -2.21 0.00 0.00 174.62 174.70 3iyl n GLN 353 N 8.36 0.11 -3.69 7.08 1.13 -1.26 -4.56 117.38 124.55 3iyl n GLN 353 Ca 0.43 -0.03 -0.10 0.00 -1.94 0.00 0.00 57.00 55.35 3iyl n GLN 353 Cb 0.46 -1.61 -0.11 0.00 0.11 0.00 0.00 30.24 29.09 3iyl n GLN 353 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3iyl s THR 354 N 7.02 -0.16 0.00 5.09 -4.23 -1.26 -3.84 115.64 118.27 3iyl s THR 354 Ca 1.30 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 61.93 3iyl s THR 354 Cb -1.01 -0.61 0.00 0.00 1.34 0.00 0.00 72.50 72.21 3iyl s THR 354 CO 0.48 0.05 0.00 0.29 -0.54 0.00 0.00 174.62 174.89 3iyl n LYS 355 N 4.52 0.00 0.18 3.99 5.02 -0.03 0.25 118.16 132.08 3iyl n LYS 355 Ca -0.20 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 55.97 3iyl n LYS 355 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.48 3iyl n LYS 355 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 3iyl h ASN 356 N 0.00 -0.93 -0.86 4.39 -1.24 -1.71 -2.40 115.58 112.83 3iyl h ASN 356 Ca 0.00 0.08 0.11 0.00 0.71 0.00 0.00 56.30 57.20 3iyl h ASN 356 Cb 0.00 0.31 -0.06 0.00 0.73 0.00 0.00 38.32 39.30 3iyl h ASN 356 CO 0.00 -0.43 0.56 0.00 -1.29 0.00 0.00 177.43 176.27 3iyl h ALA 357 N -1.16 1.75 -0.27 1.57 0.00 0.31 -1.26 119.26 120.20 3iyl h ALA 357 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3iyl h ALA 357 Cb 0.56 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3iyl h ALA 357 CO -0.06 0.05 0.18 1.96 0.00 0.00 0.00 179.25 181.37 3iyl h GLN 358 N 0.76 0.36 0.43 0.00 4.20 -1.28 -2.10 115.11 117.48 3iyl h GLN 358 Ca 0.41 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.07 3iyl h GLN 358 Cb 0.54 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3iyl h GLN 358 CO -0.18 0.25 -0.21 0.35 -0.67 0.00 0.00 178.83 178.38 3iyl h PHE 359 N 0.36 -0.54 0.00 2.96 3.57 -0.86 -2.87 116.94 119.57 3iyl h PHE 359 Ca 0.10 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3iyl h PHE 359 Cb -0.03 0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.89 3iyl h PHE 359 CO -0.05 -0.34 0.57 -0.07 -2.23 0.00 0.00 178.31 176.19 3iyl h LEU 360 N -0.64 0.00 -0.43 0.59 3.38 -1.25 0.32 115.31 117.28 3iyl h LEU 360 Ca -0.06 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 3iyl h LEU 360 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3iyl h LEU 360 CO 0.10 0.00 -0.58 -1.28 0.09 0.00 0.00 178.44 176.76 3iyl h SER 361 N 0.00 0.71 0.00 -0.43 0.87 -1.14 -3.00 113.55 110.57 3iyl h SER 361 Ca 0.00 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 3iyl h SER 361 Cb 1.15 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 3iyl h SER 361 CO 0.00 1.14 0.00 0.35 -0.53 0.00 0.00 176.83 177.79 3iyl n THR 362 N -3.96 0.00 -2.27 2.23 -2.24 0.11 -4.84 114.28 103.31 3iyl n THR 362 Ca -0.04 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.33 3iyl n THR 362 Cb 0.63 -0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 3iyl n THR 362 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iyl s ALA 363 N -2.00 3.48 -0.33 6.98 0.00 -1.13 -4.70 121.76 124.06 3iyl s ALA 363 Ca 0.06 1.07 -0.29 0.00 0.00 0.00 0.00 51.96 52.80 3iyl s ALA 363 Cb 0.03 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.72 3iyl s ALA 363 CO 0.05 -0.46 1.18 0.42 0.00 0.00 0.00 175.76 176.95 3iyl s ILE 364 N -0.43 4.31 0.34 0.00 1.01 -0.85 -4.90 121.20 120.68 3iyl s ILE 364 Ca 0.52 1.48 0.14 0.00 0.00 0.00 0.00 60.65 62.79 3iyl s ILE 364 Cb -0.36 -4.33 0.33 0.00 0.01 0.00 0.00 42.46 38.12 3iyl s ILE 364 CO 0.42 -0.54 1.64 0.00 0.00 0.00 0.00 174.94 176.46 3iyl h ALA 365 N 8.74 1.88 -0.48 9.38 0.00 -1.91 -0.02 119.26 136.85 3iyl h ALA 365 Ca -0.23 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3iyl h ALA 365 Cb 1.08 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3iyl h ALA 365 CO 1.04 -0.63 0.24 0.22 0.00 0.00 0.00 179.25 180.13 3iyl h ASP 366 N 0.24 0.61 -0.59 0.00 1.82 -1.91 -3.11 116.42 113.48 3iyl h ASP 366 Ca 0.73 -0.11 0.10 0.00 -0.39 0.00 0.00 57.03 57.36 3iyl h ASP 366 Cb 1.68 -0.16 -0.04 0.00 0.68 0.00 0.00 39.33 41.50 3iyl h ASP 366 CO -0.65 0.55 0.40 0.03 -1.61 0.00 0.00 179.24 177.95 3iyl h ARG 367 N 0.63 0.37 -7.09 0.28 2.47 -1.33 -3.44 114.38 106.27 3iyl h ARG 367 Ca 0.17 -0.02 -0.52 0.00 -1.26 0.00 0.00 59.98 58.34 3iyl h ARG 367 Cb 0.09 -0.08 0.10 0.00 -1.65 0.00 0.00 29.97 28.43 3iyl h ARG 367 CO -0.02 0.24 0.47 0.42 0.56 0.00 0.00 179.97 181.64 3iyl s ILE 368 N -5.36 2.74 0.00 2.04 1.01 -1.18 -4.74 121.20 115.71 3iyl s ILE 368 Ca -0.07 0.47 0.00 0.00 0.00 0.00 0.00 60.65 61.04 3iyl s ILE 368 Cb 0.20 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.48 3iyl s ILE 368 CO 0.75 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 176.20 3iyl n GLY 369 N 0.44 1.31 3.19 6.18 0.00 -1.26 -4.83 105.19 110.22 3iyl n GLY 369 Ca 0.13 -0.91 -0.18 0.00 0.00 0.00 0.00 46.02 45.07 3iyl n GLY 369 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3iyl s ARG 370 N 0.00 0.87 0.00 1.61 1.70 -1.15 0.27 118.95 122.25 3iyl s ARG 370 Ca 0.00 -1.06 0.00 0.00 -0.47 0.00 0.00 55.73 54.20 3iyl s ARG 370 Cb 0.00 -0.80 0.00 0.00 -0.57 0.00 0.00 34.95 33.58 3iyl s ARG 370 CO 0.00 0.16 0.00 1.28 -1.08 0.00 0.00 175.30 175.66 3iyl n LEU 371 N 0.98 0.70 -3.92 -1.89 4.77 -0.80 -4.75 117.00 112.09 3iyl n LEU 371 Ca -0.19 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.42 3iyl n LEU 371 Cb 0.55 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.68 3iyl n LEU 371 CO 0.24 0.00 -1.91 -0.90 -1.33 0.00 0.00 177.39 173.48 3iyl n ASP 372 N -0.34 -3.69 0.00 -1.43 5.75 -1.26 -5.02 116.55 110.56 3iyl n ASP 372 Ca 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 54.79 54.82 3iyl n ASP 372 Cb 0.00 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.54 3iyl n ASP 372 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3iyl n ARG 373 N 2.45 0.02 0.17 0.11 1.74 -1.26 -4.90 116.66 114.99 3iyl n ARG 373 Ca -0.02 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.99 3iyl n ARG 373 Cb 0.70 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.10 3iyl n ARG 373 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iyl h ALA 374 N -1.74 -0.67 0.00 7.54 0.00 -2.01 -3.49 119.26 118.90 3iyl h ALA 374 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3iyl h ALA 374 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3iyl h ALA 374 CO 0.00 -0.63 0.00 -1.71 0.00 0.00 0.00 179.25 176.91 3iyl n ASN 375 N -4.07 0.00 -3.58 0.00 2.85 -1.26 -4.67 115.26 104.53 3iyl n ASN 375 Ca -0.06 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 53.98 3iyl n ASN 375 Cb 0.18 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.10 3iyl n ASN 375 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3iyl n LEU 376 N 0.00 1.52 -4.56 1.20 4.77 -1.26 -4.86 117.00 113.81 3iyl n LEU 376 Ca 0.00 -1.78 -0.31 0.00 -0.03 0.00 0.00 56.01 53.89 3iyl n LEU 376 Cb 0.00 -0.67 -0.04 0.00 -2.33 0.00 0.00 43.42 40.38 3iyl n LEU 376 CO 0.00 -1.82 1.38 -0.63 -1.33 0.00 0.00 177.39 174.99 3iyl s ILE 377 N 7.22 3.58 -0.03 -0.08 1.01 -1.26 -1.40 121.20 130.24 3iyl s ILE 377 Ca 0.68 -0.46 -0.29 0.00 0.00 0.00 0.00 60.65 60.57 3iyl s ILE 377 Cb 0.14 -4.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 3iyl s ILE 377 CO 0.30 -1.23 0.96 -0.83 0.00 0.00 0.00 174.94 174.15 3iyl s GLY 378 N 7.16 2.78 0.00 6.18 0.00 -0.67 -4.63 107.32 118.15 3iyl s GLY 378 Ca 0.63 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.82 3iyl s GLY 378 CO -0.03 1.69 0.00 0.61 0.00 0.00 0.00 173.10 175.37 3iyl n GLY 379 N 2.96 1.93 0.00 0.20 0.00 -1.26 -2.52 105.19 106.50 3iyl n GLY 379 Ca 0.06 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3iyl n GLY 379 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3iyl n GLU 380 N 2.94 1.07 -3.21 1.61 2.13 -1.26 -5.04 120.64 118.88 3iyl n GLU 380 Ca 0.00 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.47 3iyl n GLU 380 Cb 0.00 -0.91 -0.06 0.00 0.27 0.00 0.00 31.44 30.74 3iyl n GLU 380 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3iyl s VAL 381 N -1.69 4.70 0.50 6.31 1.01 -1.05 -4.99 120.40 125.19 3iyl s VAL 381 Ca 0.00 1.05 -0.19 0.00 0.00 0.00 0.00 61.98 62.84 3iyl s VAL 381 Cb 0.00 -3.77 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 3iyl s VAL 381 CO 0.00 0.16 1.01 -0.55 0.00 0.00 0.00 175.10 175.72 3iyl s SER 382 N -1.78 6.43 0.23 3.32 0.15 -1.26 -1.66 113.70 119.12 3iyl s SER 382 Ca 0.43 1.77 -0.00 0.00 0.70 0.00 0.00 55.95 58.84 3iyl s SER 382 Cb -0.15 -2.54 0.23 0.00 -1.71 0.00 0.00 66.02 61.85 3iyl s SER 382 CO 0.20 -0.72 1.58 0.00 1.20 0.00 0.00 173.24 175.50 3iyl h ALA 383 N 1.26 0.85 -0.52 5.45 0.00 -1.55 -3.44 119.26 121.30 3iyl h ALA 383 Ca -0.48 -0.46 0.18 0.00 0.00 0.00 0.00 54.91 54.15 3iyl h ALA 383 Cb 1.20 -0.10 -0.21 0.00 0.00 0.00 0.00 17.79 18.69 3iyl h ALA 383 CO 0.60 0.65 -0.02 0.00 0.00 0.00 0.00 179.25 180.48 3iyl s MET 384 N -4.13 0.30 0.85 0.00 0.23 -1.26 -2.09 119.30 113.19 3iyl s MET 384 Ca -0.07 0.47 -0.08 0.00 -1.03 0.00 0.00 55.69 54.98 3iyl s MET 384 Cb 0.12 0.25 0.18 0.00 -1.53 0.00 0.00 34.83 33.86 3iyl s MET 384 CO 0.82 -0.38 1.16 1.55 -2.03 0.00 0.00 175.02 176.14 3iyl n VAL 385 N 5.40 0.00 -3.10 5.16 3.14 -0.65 -4.89 118.33 123.39 3iyl n VAL 385 Ca -0.02 -1.29 -0.25 0.00 -2.96 0.00 0.00 64.34 59.82 3iyl n VAL 385 Cb 0.54 -1.19 -0.05 0.00 -1.06 0.00 0.00 33.84 32.08 3iyl n VAL 385 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3iyl n GLU 386 N -3.32 2.40 -0.88 1.45 1.02 -1.26 -2.99 120.64 117.06 3iyl n GLU 386 Ca 0.17 -4.36 -0.35 0.00 -0.02 0.00 0.00 57.16 52.59 3iyl n GLU 386 Cb 0.58 -2.04 0.09 0.00 -0.02 0.00 0.00 31.44 30.05 3iyl n GLU 386 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3iyl n MET 388 N 0.32 2.81 -0.20 0.00 1.56 0.14 -3.78 117.12 117.97 3iyl n MET 388 Ca 0.02 0.00 -0.07 0.00 -0.27 0.00 0.00 57.70 57.38 3iyl n MET 388 Cb 0.59 -0.79 0.01 0.00 2.15 0.00 0.00 33.22 35.18 3iyl n MET 388 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 3iyl n GLU 389 N -1.26 0.00 -2.10 2.12 0.28 -1.26 -4.33 120.64 114.09 3iyl n GLU 389 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.59 3iyl n GLU 389 Cb 0.00 -0.19 -0.02 0.00 1.43 0.00 0.00 31.44 32.66 3iyl n GLU 389 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 3iyl s LEU 390 N 1.33 4.41 -0.32 -1.84 0.05 -0.83 -4.00 118.68 117.48 3iyl s LEU 390 Ca 0.08 2.58 0.03 0.00 0.05 0.00 0.00 54.13 56.88 3iyl s LEU 390 Cb -0.05 -3.62 0.19 0.00 -2.05 0.00 0.00 46.19 40.66 3iyl s LEU 390 CO 0.15 -0.61 0.68 0.00 -0.55 0.00 0.00 176.35 176.02 3iyl n ASP 392 N 5.08 0.66 -0.38 0.00 5.75 -1.10 -4.22 116.55 122.33 3iyl n ASP 392 Ca 0.07 0.62 0.33 0.00 -0.01 0.00 0.00 54.79 55.80 3iyl n ASP 392 Cb 0.56 -0.64 0.55 0.00 -1.03 0.00 0.00 41.12 40.56 3iyl n ASP 392 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3iyl n ALA 393 N 4.43 1.11 -0.05 2.12 0.00 0.13 0.25 120.51 128.49 3iyl n ALA 393 Ca 0.33 0.70 -0.11 0.00 0.00 0.00 0.00 53.44 54.36 3iyl n ALA 393 Cb -0.03 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 18.50 3iyl n ALA 393 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3iyl h LEU 394 N 0.00 0.28 -0.32 0.00 5.85 -1.85 0.81 115.31 120.08 3iyl h LEU 394 Ca 0.71 -0.26 -0.17 0.00 0.84 0.00 0.00 57.88 59.00 3iyl h LEU 394 Cb 2.31 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 43.26 3iyl h LEU 394 CO -0.38 0.47 -0.46 0.74 -0.34 0.00 0.00 178.44 178.48 3iyl h THR 395 N 0.08 1.28 -0.22 1.05 2.02 -0.52 -1.48 112.91 115.11 3iyl h THR 395 Ca 0.05 -1.64 -0.05 0.00 0.77 0.00 0.00 66.41 65.55 3iyl h THR 395 Cb 0.31 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 3iyl h THR 395 CO 0.00 0.54 -0.07 0.25 0.37 0.00 0.00 175.52 176.61 3iyl h LEU 396 N 0.66 0.33 -0.14 2.58 5.85 -1.15 -2.09 115.31 121.34 3iyl h LEU 396 Ca 0.03 -0.06 -0.22 0.00 0.84 0.00 0.00 57.88 58.47 3iyl h LEU 396 Cb 1.06 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3iyl h LEU 396 CO 0.11 0.44 -0.98 -0.74 -0.34 0.00 0.00 178.44 176.93 3iyl h HIS 397 N 0.33 0.35 -0.15 1.25 2.76 -0.65 -1.99 115.15 117.05 3iyl h HIS 397 Ca 0.07 -0.21 -0.03 0.00 -2.20 0.00 0.00 60.37 58.00 3iyl h HIS 397 Cb 0.34 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 3iyl h HIS 397 CO 0.01 1.07 -0.02 0.82 -1.30 0.00 0.00 177.93 178.51 3iyl h ILE 398 N 0.10 1.28 -0.44 6.26 2.04 -0.92 -2.73 117.51 123.10 3iyl h ILE 398 Ca -0.07 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 64.80 3iyl h ILE 398 Cb 1.65 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 39.30 3iyl h ILE 398 CO 0.15 0.28 0.05 0.03 0.00 0.00 0.00 178.15 178.65 3iyl h ARG 399 N 0.00 0.75 0.00 2.37 3.08 -1.47 -0.77 114.38 118.34 3iyl h ARG 399 Ca 0.04 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.88 3iyl h ARG 399 Cb 0.43 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3iyl h ARG 399 CO 0.01 0.79 0.00 -1.91 -1.07 0.00 0.00 179.97 177.79 3iyl n GLU 400 N -4.45 0.00 -0.04 0.04 2.13 -0.75 -0.44 120.64 117.14 3iyl n GLU 400 Ca 0.00 0.50 -0.21 0.00 0.66 0.00 0.00 57.16 58.11 3iyl n GLU 400 Cb 0.26 -1.51 -0.13 0.00 0.27 0.00 0.00 31.44 30.33 3iyl n GLU 400 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3iyl n THR 401 N -1.51 1.68 0.13 6.31 -1.04 -0.38 -3.83 114.28 115.63 3iyl n THR 401 Ca -0.00 -0.54 -0.01 0.00 -2.04 0.00 0.00 64.05 61.46 3iyl n THR 401 Cb 0.00 -1.73 0.23 0.00 -1.82 0.00 0.00 70.33 67.02 3iyl n THR 401 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 3iyl h TYR 402 N -0.14 0.14 -0.43 -1.42 3.20 0.02 0.12 116.97 118.45 3iyl h TYR 402 Ca -0.46 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.31 3iyl h TYR 402 Cb 1.89 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 40.11 3iyl h TYR 402 CO 0.06 0.57 0.00 0.97 -1.64 0.00 0.00 178.16 178.13 3iyl h ILE 403 N 0.09 1.23 -0.17 1.81 -0.00 -0.93 -1.40 117.51 118.14 3iyl h ILE 403 Ca 0.00 -0.94 -0.21 0.00 -0.00 0.00 0.00 64.86 63.72 3iyl h ILE 403 Cb 0.88 0.90 0.01 0.00 -0.00 0.00 0.00 36.82 38.61 3iyl h ILE 403 CO 0.07 0.33 -0.71 -0.03 -0.00 0.00 0.00 178.15 177.81 3iyl h MET 404 N 0.66 0.78 -0.84 2.19 4.05 -1.48 -1.58 114.93 118.72 3iyl h MET 404 Ca 0.13 -0.61 0.12 0.00 -0.28 0.00 0.00 59.70 59.06 3iyl h MET 404 Cb 0.41 0.12 -0.08 0.00 -0.80 0.00 0.00 31.60 31.25 3iyl h MET 404 CO 0.02 1.22 0.46 1.25 0.23 0.00 0.00 176.91 180.09 3iyl h LEU 405 N 0.52 0.62 0.48 3.39 5.85 -0.18 0.47 115.31 126.46 3iyl h LEU 405 Ca -0.04 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3iyl h LEU 405 Cb 1.33 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.32 3iyl h LEU 405 CO 0.15 0.32 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.27 3iyl h LEU 406 N 0.73 -0.55 -0.75 2.25 3.38 -1.19 -2.98 115.31 116.21 3iyl h LEU 406 Ca 0.43 -0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.50 3iyl h LEU 406 Cb 0.48 0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.27 3iyl h LEU 406 CO -0.29 -0.14 0.22 0.03 0.09 0.00 0.00 178.44 178.35 3iyl h ARG 407 N -1.08 0.31 -0.64 1.13 2.47 -0.99 -0.27 114.38 115.31 3iyl h ARG 407 Ca -0.07 -0.02 0.07 0.00 -1.26 0.00 0.00 59.98 58.70 3iyl h ARG 407 Cb 0.57 -0.07 -0.10 0.00 -1.65 0.00 0.00 29.97 28.72 3iyl h ARG 407 CO 0.11 0.21 -0.55 1.03 0.56 0.00 0.00 179.97 181.33 3iyl h SER 408 N 0.32 -1.92 -0.12 7.04 0.87 -0.05 0.32 113.55 120.02 3iyl h SER 408 Ca 0.42 0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 61.25 3iyl h SER 408 Cb 0.70 0.82 -0.01 0.00 -0.44 0.00 0.00 62.40 63.48 3iyl h SER 408 CO -0.48 -0.34 0.01 1.15 -0.53 0.00 0.00 176.83 176.65 3iyl n MET 409 N -5.34 1.69 -2.38 2.24 0.00 -0.19 -4.89 117.12 108.25 3iyl n MET 409 Ca -0.01 -0.60 -0.35 0.00 0.00 0.00 0.00 57.70 56.75 3iyl n MET 409 Cb 0.32 -1.61 -0.01 0.00 0.00 0.00 0.00 33.22 31.92 3iyl n MET 409 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 3iyl s HIS 410 N -1.27 2.81 -0.13 3.17 5.04 0.11 -1.86 115.29 123.17 3iyl s HIS 410 Ca 0.10 1.56 0.02 0.00 -1.54 0.00 0.00 55.06 55.20 3iyl s HIS 410 Cb 0.08 -3.20 0.02 0.00 0.04 0.00 0.00 32.58 29.52 3iyl s HIS 410 CO 0.03 -1.27 -0.17 -1.14 -2.34 0.00 0.00 174.74 169.85 3iyl s GLN 411 N -3.25 2.51 -0.27 2.88 2.00 0.22 -4.54 119.66 119.22 3iyl s GLN 411 Ca 0.70 -0.66 -0.31 0.00 -2.00 0.00 0.00 55.36 53.09 3iyl s GLN 411 Cb -0.21 -2.13 -0.08 0.00 0.80 0.00 0.00 33.01 31.39 3iyl s GLN 411 CO 0.24 -0.10 2.21 -3.47 -0.50 0.00 0.00 175.29 173.67 3iyl n ASP 412 N 4.32 2.81 -0.32 6.67 2.03 -1.26 -4.57 116.55 126.22 3iyl n ASP 412 Ca -0.19 0.29 0.13 0.00 0.52 0.00 0.00 54.79 55.54 3iyl n ASP 412 Cb 0.51 -1.44 0.32 0.00 -0.72 0.00 0.00 41.12 39.79 3iyl n ASP 412 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3iyl h PRO 413 N 13.98 0.53 -0.66 -0.67 0.11 -1.97 -2.17 132.00 141.15 3iyl h PRO 413 Ca -0.35 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.74 3iyl h PRO 413 Cb 1.27 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 3iyl h PRO 413 CO 0.98 0.35 0.43 0.00 -0.21 0.00 0.00 178.00 179.55 3iyl h THR 414 N 0.55 1.14 0.00 -1.15 1.03 -1.93 -2.02 112.91 110.53 3iyl h THR 414 Ca 0.57 -0.30 -0.00 0.00 -0.01 0.00 0.00 66.41 66.68 3iyl h THR 414 Cb 1.02 0.20 -0.00 0.00 -1.07 0.00 0.00 68.15 68.30 3iyl h THR 414 CO -0.46 0.16 -0.00 1.56 -0.01 0.00 0.00 175.52 176.76 3iyl h GLN 415 N 0.86 0.00 -0.80 0.00 4.20 -1.78 -2.97 115.11 114.63 3iyl h GLN 415 Ca 0.25 0.00 0.23 0.00 0.06 0.00 0.00 58.65 59.19 3iyl h GLN 415 Cb -0.06 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 3iyl h GLN 415 CO -0.07 0.00 0.63 0.82 -0.67 0.00 0.00 178.83 179.53 3iyl h ILE 416 N 0.00 0.49 -0.29 2.54 1.08 -1.41 -0.37 117.51 119.55 3iyl h ILE 416 Ca -0.00 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.42 3iyl h ILE 416 Cb 0.01 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 34.30 3iyl h ILE 416 CO 0.00 0.00 -0.02 0.58 -0.69 0.00 0.00 178.15 178.02 3iyl h VAL 417 N 0.00 1.26 -0.67 1.67 2.07 -1.73 -2.76 116.25 116.09 3iyl h VAL 417 Ca 0.38 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 3iyl h VAL 417 Cb 1.63 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 3iyl h VAL 417 CO -0.00 0.31 0.21 1.56 0.02 0.00 0.00 177.57 179.67 3iyl h GLN 418 N 0.31 1.04 -0.49 1.57 4.20 -1.31 0.11 115.11 120.53 3iyl h GLN 418 Ca 0.08 -0.23 0.04 0.00 0.06 0.00 0.00 58.65 58.60 3iyl h GLN 418 Cb 0.47 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 3iyl h GLN 418 CO 0.02 0.91 0.26 0.82 -0.67 0.00 0.00 178.83 180.16 3iyl h ILE 419 N 0.97 0.98 -0.26 2.54 1.08 -1.41 0.20 117.51 121.61 3iyl h ILE 419 Ca 0.21 -0.17 -0.10 0.00 -0.39 0.00 0.00 64.86 64.41 3iyl h ILE 419 Cb 0.30 0.43 -0.00 0.00 -3.07 0.00 0.00 36.82 34.47 3iyl h ILE 419 CO -0.01 0.09 -0.23 0.58 -0.69 0.00 0.00 178.15 177.90 3iyl h VAL 420 N 0.50 1.31 -0.59 1.67 2.07 -1.31 0.47 116.25 120.37 3iyl h VAL 420 Ca 0.21 -1.38 0.08 0.00 0.82 0.00 0.00 66.70 66.43 3iyl h VAL 420 Cb 0.11 1.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 3iyl h VAL 420 CO -0.14 0.43 0.25 0.78 0.02 0.00 0.00 177.57 178.91 3iyl h ASN 421 N 0.34 0.29 0.02 0.57 2.35 -0.37 -2.18 115.58 116.61 3iyl h ASN 421 Ca 0.05 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 3iyl h ASN 421 Cb 0.78 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.18 3iyl h ASN 421 CO 0.06 0.18 -0.17 -0.33 -1.65 0.00 0.00 177.43 175.52 3iyl h GLU 422 N 0.46 0.08 -0.01 0.81 5.08 -0.62 -0.88 114.58 119.50 3iyl h GLU 422 Ca 0.29 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3iyl h GLU 422 Cb 0.31 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 3iyl h GLU 422 CO -0.26 0.97 0.29 0.00 -1.00 0.00 0.00 179.01 179.02 3iyl n ALA 424 N -1.93 3.03 -2.86 0.00 0.00 -0.83 -4.38 120.51 113.54 3iyl n ALA 424 Ca -0.02 -0.56 -0.11 0.00 0.00 0.00 0.00 53.44 52.75 3iyl n ALA 424 Cb 0.35 -0.57 0.03 0.00 0.00 0.00 0.00 19.45 19.26 3iyl n ALA 424 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3iyl n ASN 425 N 0.11 -4.01 0.00 0.00 4.13 0.61 -3.41 115.26 112.70 3iyl n ASN 425 Ca 0.07 -0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.12 3iyl n ASN 425 Cb 0.36 -2.72 0.00 0.00 -1.54 0.00 0.00 39.78 35.88 3iyl n ASN 425 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3iyl n ASN 426 N -0.57 0.00 -0.29 6.41 3.02 -0.35 -4.70 115.26 118.78 3iyl n ASN 426 Ca -0.02 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.70 3iyl n ASN 426 Cb 0.54 -0.61 0.44 0.00 -0.61 0.00 0.00 39.78 39.54 3iyl n ASN 426 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3iyl h LEU 427 N 0.00 0.55 -8.10 3.41 3.38 -1.84 -3.36 115.31 109.36 3iyl h LEU 427 Ca 0.00 0.06 -0.66 0.00 0.09 0.00 0.00 57.88 57.38 3iyl h LEU 427 Cb 0.00 -0.04 -0.35 0.00 0.09 0.00 0.00 40.66 40.37 3iyl h LEU 427 CO 0.00 0.21 -0.86 -0.22 0.09 0.00 0.00 178.44 177.66 3iyl s LEU 428 N -9.75 2.05 -0.08 1.67 2.96 -1.26 -2.74 118.68 111.53 3iyl s LEU 428 Ca -0.09 -0.60 0.03 0.00 -0.22 0.00 0.00 54.13 53.25 3iyl s LEU 428 Cb 0.24 -1.40 0.00 0.00 0.50 0.00 0.00 46.19 45.53 3iyl s LEU 428 CO 0.79 0.03 -0.19 0.21 -1.32 0.00 0.00 176.35 175.88 3iyl s ASN 429 N 1.07 2.50 0.21 3.68 2.47 -0.24 -4.49 114.94 120.14 3iyl s ASN 429 Ca -0.01 -0.44 0.01 0.00 0.42 0.00 0.00 52.86 52.84 3iyl s ASN 429 Cb -0.14 -1.11 -0.01 0.00 -1.45 0.00 0.00 41.25 38.54 3iyl s ASN 429 CO -0.07 0.11 0.05 -1.54 -3.72 0.00 0.00 177.10 171.93 3iyl n SER 430 N 3.60 1.48 -3.69 -4.21 3.41 -1.26 -0.08 113.62 112.87 3iyl n SER 430 Ca -0.21 -2.04 -0.10 0.00 -0.26 0.00 0.00 58.87 56.27 3iyl n SER 430 Cb 0.52 0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 64.78 3iyl n SER 430 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3iyl s THR 431 N -2.17 -0.02 -0.41 6.66 -4.23 -0.92 -4.97 115.64 109.59 3iyl s THR 431 Ca 0.07 0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.67 3iyl s THR 431 Cb 0.00 -0.67 0.14 0.00 1.34 0.00 0.00 72.50 73.31 3iyl s THR 431 CO 0.05 0.03 0.23 -0.63 -0.54 0.00 0.00 174.62 173.76 3iyl s ILE 432 N 1.30 0.96 0.29 2.99 1.01 -1.26 -2.44 121.20 124.05 3iyl s ILE 432 Ca -0.09 -2.24 -0.29 0.00 0.00 0.00 0.00 60.65 58.03 3iyl s ILE 432 Cb -0.07 -1.68 -0.13 0.00 0.01 0.00 0.00 42.46 40.59 3iyl s ILE 432 CO -0.12 -0.92 1.27 -0.81 0.00 0.00 0.00 174.94 174.36 3iyl n PRO 433 N 3.74 1.89 -3.53 2.79 -0.04 -1.26 -4.96 135.00 133.63 3iyl n PRO 433 Ca 0.10 0.67 -0.19 0.00 -0.04 0.00 0.00 63.50 64.03 3iyl n PRO 433 Cb 0.35 -2.23 -0.14 0.00 -0.04 0.00 0.00 33.50 31.44 3iyl n PRO 433 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3iyl s ILE 434 N -0.66 -0.29 -0.36 0.52 -4.36 -1.26 -4.85 121.20 109.95 3iyl s ILE 434 Ca 0.62 -0.08 -0.28 0.00 -0.26 0.00 0.00 60.65 60.65 3iyl s ILE 434 Cb -0.64 -0.63 -0.03 0.00 1.25 0.00 0.00 42.46 42.41 3iyl s ILE 434 CO 0.57 -0.18 1.99 -0.94 0.24 0.00 0.00 174.94 176.61 3iyl s SER 435 N 2.30 5.52 0.24 4.36 1.04 -1.26 -4.94 113.70 120.96 3iyl s SER 435 Ca 0.06 1.30 -0.30 0.00 0.48 0.00 0.00 55.95 57.49 3iyl s SER 435 Cb -0.15 -2.52 -0.09 0.00 0.10 0.00 0.00 66.02 63.36 3iyl s SER 435 CO -0.11 -2.00 1.21 -0.76 0.98 0.00 0.00 173.24 172.56 3iyl s LEU 436 N 8.18 4.47 0.22 2.42 1.43 -1.26 -5.03 118.68 129.11 3iyl s LEU 436 Ca 0.86 2.37 0.01 0.00 -1.03 0.00 0.00 54.13 56.34 3iyl s LEU 436 Cb -0.23 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.32 3iyl s LEU 436 CO 0.31 -0.37 0.06 -0.13 0.23 0.00 0.00 176.35 176.46 3iyl s ARG 437 N -0.87 1.26 0.37 1.70 1.81 -1.26 -5.02 118.95 116.95 3iyl s ARG 437 Ca 0.50 -1.65 0.07 0.00 -1.72 0.00 0.00 55.73 52.93 3iyl s ARG 437 Cb -0.35 -0.18 0.79 0.00 -0.45 0.00 0.00 34.95 34.75 3iyl s ARG 437 CO 0.41 -0.24 1.96 -1.35 -0.68 0.00 0.00 175.30 175.40 3iyl h PRO 438 N 2.54 0.68 -6.21 3.54 0.11 -1.95 -3.40 132.00 127.31 3iyl h PRO 438 Ca -0.37 -0.04 -0.58 0.00 0.11 0.00 0.00 66.00 65.12 3iyl h PRO 438 Cb 1.23 -0.15 -0.11 0.00 0.11 0.00 0.00 31.00 32.08 3iyl h PRO 438 CO 0.61 0.45 -0.69 0.95 -0.21 0.00 0.00 178.00 179.11 3iyl s THR 439 N -5.63 3.11 0.00 -1.15 -4.23 -1.26 -5.07 115.64 101.41 3iyl s THR 439 Ca -0.09 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.34 3iyl s THR 439 Cb 0.19 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.38 3iyl s THR 439 CO 0.77 -0.38 0.00 0.00 -0.54 0.00 0.00 174.62 174.47 3iyl n ILE 440 N -0.78 0.00 -3.25 2.99 3.06 -1.26 -4.62 119.36 115.50 3iyl n ILE 440 Ca -0.06 0.00 0.03 0.00 -2.50 0.00 0.00 62.75 60.22 3iyl n ILE 440 Cb 0.59 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.75 3iyl n ILE 440 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 3iyl s LEU 441 N 0.00 -1.32 -0.68 9.51 2.96 -0.56 -4.79 118.68 123.80 3iyl s LEU 441 Ca 0.00 0.99 0.04 0.00 -0.22 0.00 0.00 54.13 54.94 3iyl s LEU 441 Cb 0.00 2.16 0.17 0.00 0.50 0.00 0.00 46.19 49.02 3iyl s LEU 441 CO 0.00 -0.25 0.47 0.00 -1.32 0.00 0.00 176.35 175.25 3iyl n PRO 443 N 2.31 1.81 0.00 0.00 -0.04 -1.26 -0.61 135.00 137.22 3iyl n PRO 443 Ca 0.16 -2.26 0.00 0.00 -0.04 0.00 0.00 63.50 61.36 3iyl n PRO 443 Cb 0.35 -3.28 0.00 0.00 -0.04 0.00 0.00 33.50 30.52 3iyl n PRO 443 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3iyl n TRP 444 N 9.80 0.00 -4.09 0.54 8.01 -1.10 -4.80 117.44 125.81 3iyl n TRP 444 Ca 0.48 0.00 -0.34 0.00 -1.31 0.00 0.00 57.50 56.33 3iyl n TRP 444 Cb 0.43 0.00 -0.11 0.00 -2.01 0.00 0.00 31.31 29.62 3iyl n TRP 444 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.69 176.80 3iyl s PHE 445 N -0.27 3.17 -0.07 -5.99 2.19 -0.78 -4.62 117.98 111.62 3iyl s PHE 445 Ca 0.00 -0.08 0.03 0.00 0.33 0.00 0.00 56.93 57.21 3iyl s PHE 445 Cb 0.00 -2.06 0.01 0.00 -1.31 0.00 0.00 43.02 39.65 3iyl s PHE 445 CO 0.00 0.05 -0.16 0.00 1.83 0.00 0.00 175.22 176.94 3iyl s ALA 446 N 0.50 1.50 0.65 11.12 0.00 -1.26 -4.42 121.76 129.85 3iyl s ALA 446 Ca 0.01 -0.59 -0.15 0.00 0.00 0.00 0.00 51.96 51.23 3iyl s ALA 446 Cb -0.13 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 3iyl s ALA 446 CO 0.01 0.19 1.10 -1.54 0.00 0.00 0.00 175.76 175.52 3iyl s SER 447 N 0.44 5.23 0.54 0.00 1.04 -1.26 -4.70 113.70 115.00 3iyl s SER 447 Ca -0.13 1.96 0.22 0.00 0.48 0.00 0.00 55.95 58.48 3iyl s SER 447 Cb -0.15 -2.55 1.49 0.00 0.10 0.00 0.00 66.02 64.91 3iyl s SER 447 CO 0.04 -1.54 2.18 -1.28 0.98 0.00 0.00 173.24 173.62 3iyl h SER 448 N 0.09 0.00 -0.84 7.02 0.87 -1.78 0.34 113.55 119.25 3iyl h SER 448 Ca -0.47 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.16 3iyl h SER 448 Cb 1.24 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.14 3iyl h SER 448 CO 0.55 0.01 0.51 -0.08 -0.53 0.00 0.00 176.83 177.29 3iyl h GLU 449 N 0.00 0.88 0.00 2.24 4.57 -1.91 -2.87 114.58 117.50 3iyl h GLU 449 Ca -0.00 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3iyl h GLU 449 Cb 0.03 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.42 3iyl h GLU 449 CO 0.00 0.58 -0.01 0.22 -1.18 0.00 0.00 179.01 178.63 3iyl h ASP 450 N 0.91 0.00 -0.89 1.04 1.82 -1.37 -3.36 116.42 114.56 3iyl h ASP 450 Ca 0.38 -0.52 0.26 0.00 -0.39 0.00 0.00 57.03 56.75 3iyl h ASP 450 Cb 0.22 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.20 3iyl h ASP 450 CO -0.19 0.77 0.98 -0.07 -1.61 0.00 0.00 179.24 179.12 3iyl h LEU 451 N -1.00 0.00 -0.02 2.28 3.38 -0.99 0.68 115.31 119.64 3iyl h LEU 451 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 3iyl h LEU 451 Cb 0.53 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3iyl h LEU 451 CO -0.00 0.00 -0.88 0.03 0.09 0.00 0.00 178.44 177.67 3iyl h ARG 452 N 0.00 0.00 0.00 1.13 3.08 -1.66 -0.49 114.38 116.44 3iyl h ARG 452 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.47 3iyl h ARG 452 Cb 2.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.44 3iyl h ARG 452 CO -0.00 0.88 0.00 -0.11 -1.07 0.00 0.00 179.97 179.67 3iyl n LEU 453 N -3.33 0.74 0.00 3.04 0.00 0.23 -1.82 117.00 115.86 3iyl n LEU 453 Ca 0.00 0.58 -0.09 0.00 0.00 0.00 0.00 56.01 56.51 3iyl n LEU 453 Cb 0.89 -0.37 -0.14 0.00 0.00 0.00 0.00 43.42 43.81 3iyl n LEU 453 CO 0.45 -0.22 -0.36 -0.61 0.00 0.00 0.00 177.39 176.65 3iyl h GLN 454 N 0.00 0.02 0.44 1.96 5.75 -1.21 -3.15 115.11 118.93 3iyl h GLN 454 Ca 0.00 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 3iyl h GLN 454 Cb 0.67 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.24 3iyl h GLN 454 CO 0.00 0.68 -0.21 0.37 -2.65 0.00 0.00 178.83 177.02 3iyl h GLN 455 N 0.01 -0.57 0.00 1.69 5.75 -0.74 -2.60 115.11 118.65 3iyl h GLN 455 Ca -0.22 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.32 3iyl h GLN 455 Cb 1.96 0.13 0.00 0.00 1.07 0.00 0.00 27.48 30.63 3iyl h GLN 455 CO 0.10 -0.38 0.08 0.28 -2.65 0.00 0.00 178.83 176.26 3iyl n VAL 456 N -5.10 1.04 -0.04 2.39 0.31 -0.76 -0.92 118.33 115.26 3iyl n VAL 456 Ca -0.07 0.71 -0.14 0.00 -0.01 0.00 0.00 64.34 64.83 3iyl n VAL 456 Cb 0.23 -1.71 -0.11 0.00 -0.91 0.00 0.00 33.84 31.34 3iyl n VAL 456 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 3iyl h MET 457 N 0.00 0.06 0.00 5.55 1.85 -1.47 -2.81 114.93 118.12 3iyl h MET 457 Ca 0.00 -0.06 -0.02 0.00 -0.61 0.00 0.00 59.70 59.01 3iyl h MET 457 Cb 0.15 0.02 -0.00 0.00 0.43 0.00 0.00 31.60 32.20 3iyl h MET 457 CO 0.00 0.80 -0.09 0.45 -0.40 0.00 0.00 176.91 177.67 3iyl h HIS 458 N -0.65 0.00 0.00 1.39 -0.00 -0.64 -0.39 115.15 114.86 3iyl h HIS 458 Ca -0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.29 3iyl h HIS 458 Cb 0.83 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.23 3iyl h HIS 458 CO 0.18 0.09 -0.33 1.25 -0.00 0.00 0.00 177.93 179.13 3iyl h LEU 459 N 0.00 0.00 0.20 2.43 5.85 -1.26 -2.13 115.31 120.40 3iyl h LEU 459 Ca -0.00 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.39 3iyl h LEU 459 Cb 0.26 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.31 3iyl h LEU 459 CO 0.01 0.33 -1.55 0.58 -0.34 0.00 0.00 178.44 177.47 3iyl h VAL 460 N 0.00 1.10 -0.40 1.05 2.07 -0.82 -2.96 116.25 116.30 3iyl h VAL 460 Ca -0.00 -2.56 -0.12 0.00 0.82 0.00 0.00 66.70 64.84 3iyl h VAL 460 Cb 0.74 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 33.38 3iyl h VAL 460 CO 0.04 0.81 -0.24 0.78 0.02 0.00 0.00 177.57 178.99 3iyl h ASN 461 N 0.03 0.83 -0.21 0.57 2.35 -1.39 -3.09 115.58 114.68 3iyl h ASN 461 Ca -0.30 -0.31 -0.09 0.00 -0.55 0.00 0.00 56.30 55.06 3iyl h ASN 461 Cb 2.04 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 40.18 3iyl h ASN 461 CO 0.19 1.04 -0.21 0.40 -1.65 0.00 0.00 177.43 177.20 3iyl h ILE 462 N 0.71 1.33 -0.57 2.81 2.04 -1.52 -3.48 117.51 118.81 3iyl h ILE 462 Ca 0.09 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.59 3iyl h ILE 462 Cb 0.76 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 3iyl h ILE 462 CO 0.06 0.42 0.00 -0.24 0.00 0.00 0.00 178.15 178.39 3iyl n SER 463 N -4.43 -1.72 0.19 1.72 2.88 -1.12 -2.40 113.62 108.74 3iyl n SER 463 Ca -0.05 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.62 3iyl n SER 463 Cb 0.41 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.58 3iyl n SER 463 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3iyl h SER 464 N 0.00 0.00 -0.68 -3.46 0.02 -1.91 -3.42 113.55 104.10 3iyl h SER 464 Ca 0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 3iyl h SER 464 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3iyl h SER 464 CO 0.00 0.00 1.43 -3.20 -1.14 0.00 0.00 176.83 173.92 3iyl n ASN 465 N -4.30 1.54 0.10 3.07 2.85 -1.01 -4.81 115.26 112.69 3iyl n ASN 465 Ca 0.01 0.42 -0.04 0.00 -0.11 0.00 0.00 54.58 54.86 3iyl n ASN 465 Cb 0.26 -1.14 0.02 0.00 1.24 0.00 0.00 39.78 40.16 3iyl n ASN 465 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 3iyl h THR 466 N 7.19 1.58 0.00 -0.44 1.35 -1.84 -3.25 112.91 117.50 3iyl h THR 466 Ca -0.20 -2.81 -0.01 0.00 -0.55 0.00 0.00 66.41 62.84 3iyl h THR 466 Cb 1.35 2.52 -0.00 0.00 -1.73 0.00 0.00 68.15 70.29 3iyl h THR 466 CO 1.08 0.80 -0.07 0.00 -0.25 0.00 0.00 175.52 177.09 3iyl h ALA 467 N 1.18 1.54 0.00 6.62 0.00 -1.94 -0.11 119.26 126.55 3iyl h ALA 467 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3iyl h ALA 467 Cb 1.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3iyl h ALA 467 CO 0.11 0.09 -0.93 0.00 0.00 0.00 0.00 179.25 178.51 3iyl n ALA 468 N -2.37 3.03 0.02 0.00 0.00 -1.23 -3.95 120.51 116.02 3iyl n ALA 468 Ca -0.03 -0.32 -0.16 0.00 0.00 0.00 0.00 53.44 52.93 3iyl n ALA 468 Cb 0.16 -1.06 -0.14 0.00 0.00 0.00 0.00 19.45 18.41 3iyl n ALA 468 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iyl h ALA 469 N 2.39 0.45 -0.31 0.00 0.00 -1.37 -3.36 119.26 117.06 3iyl h ALA 469 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 54.91 53.63 3iyl h ALA 469 Cb 0.80 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3iyl h ALA 469 CO 0.00 1.30 0.21 1.25 0.00 0.00 0.00 179.25 182.01 3iyl h LEU 470 N 0.05 0.36 -1.62 0.00 5.85 -1.18 -1.68 115.31 117.09 3iyl h LEU 470 Ca -0.31 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.42 3iyl h LEU 470 Cb 2.02 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.94 3iyl h LEU 470 CO 0.12 0.26 0.28 -0.65 -0.34 0.00 0.00 178.44 178.11 3iyl h PRO 471 N 0.42 0.49 -0.29 5.25 0.11 -1.70 -2.51 132.00 133.77 3iyl h PRO 471 Ca 0.11 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.05 3iyl h PRO 471 Cb -0.04 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 3iyl h PRO 471 CO -0.02 0.33 -0.40 -0.07 -0.21 0.00 0.00 178.00 177.62 3iyl h LEU 472 N 0.51 0.74 0.00 2.35 4.07 -1.50 -2.00 115.31 119.48 3iyl h LEU 472 Ca 0.17 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 57.79 3iyl h LEU 472 Cb 0.04 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.58 3iyl h LEU 472 CO -0.04 1.05 -0.07 1.33 -1.08 0.00 0.00 178.44 179.63 3iyl n VAL 473 N -4.04 0.38 -0.03 1.22 0.24 -0.97 -2.97 118.33 112.16 3iyl n VAL 473 Ca -0.02 -0.19 -0.01 0.00 -2.04 0.00 0.00 64.34 62.08 3iyl n VAL 473 Cb 0.53 -0.49 -0.14 0.00 -1.47 0.00 0.00 33.84 32.27 3iyl n VAL 473 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3iyl n GLU 474 N -2.00 0.66 -0.27 7.34 1.02 -1.04 -1.66 120.64 124.69 3iyl n GLU 474 Ca 0.06 0.02 -0.01 0.00 -0.02 0.00 0.00 57.16 57.20 3iyl n GLU 474 Cb 0.40 -1.62 0.18 0.00 -0.02 0.00 0.00 31.44 30.39 3iyl n GLU 474 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3iyl h ALA 475 N 1.43 1.35 0.20 0.62 0.00 -1.32 -0.82 119.26 120.71 3iyl h ALA 475 Ca -0.26 -0.08 -0.33 0.00 0.00 0.00 0.00 54.91 54.24 3iyl h ALA 475 Cb 1.67 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 19.15 3iyl h ALA 475 CO 0.03 0.57 -1.51 1.25 0.00 0.00 0.00 179.25 179.59 3iyl h LEU 476 N 1.12 0.66 -2.67 0.00 5.85 -1.63 -3.17 115.31 115.48 3iyl h LEU 476 Ca 0.30 -0.79 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3iyl h LEU 476 Cb -0.07 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.75 3iyl h LEU 476 CO -0.06 1.63 0.10 -1.28 -0.34 0.00 0.00 178.44 178.50 3iyl h SER 477 N 0.12 0.00 0.00 1.25 0.87 -0.70 0.22 113.55 115.30 3iyl h SER 477 Ca -0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 3iyl h SER 477 Cb 2.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.06 3iyl h SER 477 CO 0.23 0.00 0.00 0.41 -0.53 0.00 0.00 176.83 176.94 3iyl n THR 478 N -3.08 0.00 -0.28 2.23 -1.04 -0.37 -3.28 114.28 108.46 3iyl n THR 478 Ca -0.03 0.37 0.16 0.00 -2.04 0.00 0.00 64.05 62.51 3iyl n THR 478 Cb 0.17 -1.13 0.31 0.00 -1.82 0.00 0.00 70.33 67.86 3iyl n THR 478 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3iyl n LEU 479 N -1.68 0.01 0.15 -4.42 4.32 -1.07 -0.43 117.00 113.87 3iyl n LEU 479 Ca 0.00 1.39 -0.07 0.00 -0.02 0.00 0.00 56.01 57.31 3iyl n LEU 479 Cb 0.00 -0.55 -0.03 0.00 -1.62 0.00 0.00 43.42 41.21 3iyl n LEU 479 CO 0.00 -1.45 0.51 -0.07 -1.22 0.00 0.00 177.39 175.16 3iyl h LEU 480 N 0.00 -0.44 -0.75 2.23 3.38 -0.73 -2.88 115.31 116.12 3iyl h LEU 480 Ca 0.55 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.63 3iyl h LEU 480 Cb 1.26 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 42.07 3iyl h LEU 480 CO -0.73 -0.26 0.42 -0.09 0.09 0.00 0.00 178.44 177.87 3iyl h ARG 481 N -0.41 0.72 0.00 1.13 2.43 -0.88 -1.34 114.38 116.03 3iyl h ARG 481 Ca -0.04 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3iyl h ARG 481 Cb 0.33 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3iyl h ARG 481 CO 0.03 0.48 0.00 -1.13 -1.51 0.00 0.00 179.97 177.84 3iyl n SER 482 N -4.76 0.00 0.00 -3.80 3.41 0.42 -3.09 113.62 105.80 3iyl n SER 482 Ca 0.11 -1.03 0.00 0.00 -0.26 0.00 0.00 58.87 57.69 3iyl n SER 482 Cb 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 3iyl n SER 482 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3iyl n VAL 483 N -0.59 0.00 -2.23 -3.33 0.31 -0.60 -5.01 118.33 106.88 3iyl n VAL 483 Ca 0.03 -0.04 -0.39 0.00 -0.01 0.00 0.00 64.34 63.92 3iyl n VAL 483 Cb 0.01 0.38 -0.02 0.00 -0.91 0.00 0.00 33.84 33.30 3iyl n VAL 483 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3iyl s THR 484 N -0.56 2.99 -0.50 2.52 -1.32 -0.65 -4.86 115.64 113.27 3iyl s THR 484 Ca 0.00 0.90 0.25 0.00 -1.21 0.00 0.00 61.69 61.63 3iyl s THR 484 Cb 0.00 -3.53 0.32 0.00 -1.51 0.00 0.00 72.50 67.78 3iyl s THR 484 CO 0.00 0.14 1.71 1.55 -2.21 0.00 0.00 174.62 175.81 3iyl h PRO 485 N 2.93 0.00 -6.42 7.08 0.13 -1.92 -3.44 132.00 130.35 3iyl h PRO 485 Ca -0.49 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.10 3iyl h PRO 485 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3iyl h PRO 485 CO 0.64 0.00 0.72 -1.17 -0.23 0.00 0.00 178.00 177.96 3iyl s LEU 486 N -5.49 4.33 -0.27 1.56 0.20 -1.26 -4.19 118.68 113.57 3iyl s LEU 486 Ca 0.08 2.07 0.02 0.00 0.69 0.00 0.00 54.13 56.99 3iyl s LEU 486 Cb 0.08 -3.57 0.07 0.00 -0.43 0.00 0.00 46.19 42.34 3iyl s LEU 486 CO 0.61 -0.62 -0.04 0.54 -0.29 0.00 0.00 176.35 176.56 3iyl s VAL 487 N 1.80 1.75 0.06 1.68 0.11 -1.18 -5.05 120.40 119.57 3iyl s VAL 487 Ca 0.61 -1.53 -0.30 0.00 -2.93 0.00 0.00 61.98 57.83 3iyl s VAL 487 Cb -0.31 -2.05 -0.05 0.00 -1.53 0.00 0.00 36.38 32.44 3iyl s VAL 487 CO 0.27 -0.22 1.12 -0.76 -3.33 0.00 0.00 175.10 172.18 3iyl s LEU 488 N 1.26 4.39 -0.30 2.54 1.02 -1.26 -3.23 118.68 123.09 3iyl s LEU 488 Ca -0.02 1.92 -0.07 0.00 0.02 0.00 0.00 54.13 55.98 3iyl s LEU 488 Cb -0.19 -3.58 0.16 0.00 0.02 0.00 0.00 46.19 42.60 3iyl s LEU 488 CO -0.08 -0.38 0.70 -0.62 0.02 0.00 0.00 176.35 176.00 3iyl s ASP 489 N 0.89 -1.12 0.00 2.29 -1.08 -0.38 -4.95 116.67 112.31 3iyl s ASP 489 Ca 0.56 1.08 0.15 0.00 -0.52 0.00 0.00 52.55 53.81 3iyl s ASP 489 Cb -0.27 2.09 0.87 0.00 -1.46 0.00 0.00 42.92 44.15 3iyl s ASP 489 CO 0.30 -0.21 1.29 -0.81 0.52 0.00 0.00 175.17 176.26 3iyl n PRO 490 N 5.39 0.45 -0.07 4.34 -0.04 -1.26 -4.06 135.00 139.75 3iyl n PRO 490 Ca -0.07 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.28 3iyl n PRO 490 Cb 0.51 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.40 3iyl n PRO 490 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3iyl h THR 491 N 0.00 0.09 -0.31 0.52 1.35 -1.96 1.06 112.91 113.65 3iyl h THR 491 Ca 0.00 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.91 3iyl h THR 491 Cb 0.00 0.09 -0.04 0.00 -1.73 0.00 0.00 68.15 66.47 3iyl h THR 491 CO 0.00 0.00 0.05 0.58 -0.25 0.00 0.00 175.52 175.90 3iyl h VAL 492 N -0.43 0.83 0.04 6.82 2.07 -1.98 -0.90 116.25 122.70 3iyl h VAL 492 Ca 0.09 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.57 3iyl h VAL 492 Cb 0.62 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3iyl h VAL 492 CO -0.50 0.03 -0.08 0.25 0.02 0.00 0.00 177.57 177.29 3iyl h LEU 493 N 0.16 -0.23 -0.12 2.57 6.46 -1.53 -1.93 115.31 120.70 3iyl h LEU 493 Ca 0.15 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.98 3iyl h LEU 493 Cb 0.17 0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 40.13 3iyl h LEU 493 CO -0.20 -0.12 -0.25 0.74 -0.62 0.00 0.00 178.44 177.98 3iyl h THR 494 N -0.16 0.40 -0.02 1.05 2.02 0.15 -0.46 112.91 115.89 3iyl h THR 494 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 3iyl h THR 494 Cb 0.18 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 3iyl h THR 494 CO -0.06 0.00 -0.05 0.78 0.37 0.00 0.00 175.52 176.56 3iyl h ASN 495 N -0.32 -0.17 -0.88 4.18 2.35 -0.95 1.82 115.58 121.61 3iyl h ASN 495 Ca 0.10 0.02 0.14 0.00 -0.55 0.00 0.00 56.30 56.01 3iyl h ASN 495 Cb 0.47 0.07 -0.14 0.00 0.05 0.00 0.00 38.32 38.76 3iyl h ASN 495 CO -0.31 -0.05 -0.34 0.00 -1.65 0.00 0.00 177.43 175.09 3iyl n ALA 496 N -2.63 -0.10 0.09 -0.83 0.00 -0.74 -1.85 120.51 114.44 3iyl n ALA 496 Ca -0.01 0.88 -0.09 0.00 0.00 0.00 0.00 53.44 54.22 3iyl n ALA 496 Cb 0.04 -0.40 -0.06 0.00 0.00 0.00 0.00 19.45 19.03 3iyl n ALA 496 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3iyl h ILE 497 N 0.00 0.55 -1.14 0.00 -0.00 -0.54 -3.31 117.51 113.07 3iyl h ILE 497 Ca 0.31 -0.97 0.33 0.00 -0.00 0.00 0.00 64.86 64.53 3iyl h ILE 497 Cb 0.53 0.92 -0.05 0.00 -0.00 0.00 0.00 36.82 38.23 3iyl h ILE 497 CO -0.88 0.14 1.22 0.74 -0.00 0.00 0.00 178.15 179.38 3iyl h THR 498 N -0.96 0.02 0.14 2.19 2.02 0.36 -2.08 112.91 114.60 3iyl h THR 498 Ca -0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 3iyl h THR 498 Cb 0.47 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3iyl h THR 498 CO 0.05 0.00 -0.07 0.71 0.37 0.00 0.00 175.52 176.58 3iyl h THR 499 N 0.00 0.00 -0.10 3.16 1.35 -1.51 -3.29 112.91 112.52 3iyl h THR 499 Ca 0.54 -0.05 -0.68 0.00 -0.55 0.00 0.00 66.41 65.67 3iyl h THR 499 Cb 2.97 0.00 0.01 0.00 -1.73 0.00 0.00 68.15 69.41 3iyl h THR 499 CO -0.01 0.00 3.71 2.30 -0.25 0.00 0.00 175.52 181.28 3iyl n ILE 500 N -2.65 4.36 0.00 6.82 -6.64 -0.78 -5.17 119.36 115.30 3iyl n ILE 500 Ca -0.02 -2.75 0.00 0.00 -1.77 0.00 0.00 62.75 58.21 3iyl n ILE 500 Cb 0.07 -2.58 0.00 0.00 -1.44 0.00 0.00 39.64 35.70 3iyl n ILE 500 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 3iyl n SER 501 N 3.56 0.00 -0.77 7.28 3.41 -1.24 -4.65 113.62 121.21 3iyl n SER 501 Ca 0.76 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.37 3iyl n SER 501 Cb 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 3iyl n SER 501 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3iyl n ASP 524 N 0.00 0.00 -2.70 4.04 2.03 -1.26 -5.12 116.55 113.54 3iyl n ASP 524 Ca 0.00 0.51 -0.07 0.00 0.52 0.00 0.00 54.79 55.75 3iyl n ASP 524 Cb 0.00 -0.77 0.05 0.00 -0.72 0.00 0.00 41.12 39.69 3iyl n ASP 524 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 3iyl n TYR 525 N 0.55 0.38 -0.32 -0.67 4.02 -1.26 -4.96 117.16 114.91 3iyl n TYR 525 Ca 0.00 -2.47 0.18 0.00 -0.01 0.00 0.00 57.90 55.60 3iyl n TYR 525 Cb 0.00 0.09 0.38 0.00 -0.02 0.00 0.00 39.34 39.78 3iyl n TYR 525 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3iyl h ALA 526 N 2.66 1.58 -0.55 -0.72 0.00 -1.99 0.19 119.26 120.42 3iyl h ALA 526 Ca -0.16 0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.08 3iyl h ALA 526 Cb 1.22 0.27 -0.11 0.00 0.00 0.00 0.00 17.79 19.17 3iyl h ALA 526 CO 0.31 -0.53 -0.28 0.00 0.00 0.00 0.00 179.25 178.74 3iyl h ALA 527 N 1.83 0.05 0.66 0.00 0.00 -1.92 1.40 119.26 121.27 3iyl h ALA 527 Ca 0.64 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.69 3iyl h ALA 527 Cb 1.39 0.68 0.01 0.00 0.00 0.00 0.00 17.79 19.87 3iyl h ALA 527 CO -0.66 -0.62 -0.31 0.35 0.00 0.00 0.00 179.25 178.01 3iyl h PHE 528 N -0.14 -0.82 0.00 0.00 3.57 -1.00 -3.08 116.94 115.47 3iyl h PHE 528 Ca 0.24 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 3iyl h PHE 528 Cb 0.53 0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.53 3iyl h PHE 528 CO -0.58 -0.47 -0.05 -1.49 -2.23 0.00 0.00 178.31 173.49 3iyl h TRP 529 N -1.04 0.00 -0.78 0.41 4.06 -0.98 0.33 115.95 117.95 3iyl h TRP 529 Ca -0.09 0.00 -0.44 0.00 2.06 0.00 0.00 58.89 60.42 3iyl h TRP 529 Cb 0.71 0.00 -0.24 0.00 -1.00 0.00 0.00 29.16 28.64 3iyl h TRP 529 CO -0.01 0.05 0.57 1.17 -3.56 0.00 0.00 178.44 176.66 3iyl n LYS 530 N -3.47 2.08 0.00 0.49 4.81 0.48 -2.55 118.16 120.00 3iyl n LYS 530 Ca -0.02 -2.41 0.00 0.00 -0.87 0.00 0.00 58.31 55.01 3iyl n LYS 530 Cb 0.17 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.28 3iyl n LYS 530 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3iyl n ILE 532 N -0.65 1.67 0.46 0.00 5.41 -1.11 -3.14 119.36 122.01 3iyl n ILE 532 Ca 0.00 -0.53 0.10 0.00 1.00 0.00 0.00 62.75 63.33 3iyl n ILE 532 Cb 0.07 -1.72 0.43 0.00 -0.71 0.00 0.00 39.64 37.71 3iyl n ILE 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3iyl n ALA 533 N -3.19 1.72 0.07 -1.39 0.00 -1.06 -1.51 120.51 115.15 3iyl n ALA 533 Ca -0.36 0.03 -0.06 0.00 0.00 0.00 0.00 53.44 53.05 3iyl n ALA 533 Cb 0.97 -1.35 -0.07 0.00 0.00 0.00 0.00 19.45 19.00 3iyl n ALA 533 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3iyl h SER 534 N 0.00 0.00 0.25 0.00 0.87 -1.76 -3.27 113.55 109.63 3iyl h SER 534 Ca 0.00 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.35 3iyl h SER 534 Cb 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 3iyl h SER 534 CO 0.00 0.93 -0.86 -0.50 -0.53 0.00 0.00 176.83 175.87 3iyl h TRP 535 N 0.00 0.66 0.00 2.24 6.55 -1.21 -2.02 115.95 122.16 3iyl h TRP 535 Ca -0.01 -0.33 0.00 0.00 0.95 0.00 0.00 58.89 59.50 3iyl h TRP 535 Cb 1.66 -0.09 0.00 0.00 -0.86 0.00 0.00 29.16 29.88 3iyl h TRP 535 CO 0.00 1.13 0.00 0.00 -1.05 0.00 0.00 178.44 178.52 3iyl h ALA 536 N 0.77 1.00 0.00 1.49 0.00 -1.57 -1.10 119.26 119.84 3iyl h ALA 536 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3iyl h ALA 536 Cb 1.48 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 3iyl h ALA 536 CO 0.15 0.00 -0.20 0.66 0.00 0.00 0.00 179.25 179.86 3iyl n TYR 537 N -2.49 0.00 -1.55 0.00 4.01 -1.14 -3.78 117.16 112.21 3iyl n TYR 537 Ca -0.01 -0.72 -0.27 0.00 -0.16 0.00 0.00 57.90 56.73 3iyl n TYR 537 Cb 0.07 -0.13 -0.06 0.00 -0.31 0.00 0.00 39.34 38.92 3iyl n TYR 537 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3iyl n ASN 538 N -0.95 1.91 0.00 7.72 5.15 -0.42 -0.18 115.26 128.49 3iyl n ASN 538 Ca 0.11 -0.85 0.00 0.00 -0.60 0.00 0.00 54.58 53.24 3iyl n ASN 538 Cb 0.67 -1.55 0.00 0.00 -0.53 0.00 0.00 39.78 38.37 3iyl n ASN 538 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3iyl n GLY 539 N 6.32 0.42 0.00 8.20 0.00 -1.26 -0.63 105.19 118.24 3iyl n GLY 539 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3iyl n GLY 539 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3iyl n LEU 540 N 0.00 0.00 -3.15 0.99 7.94 0.75 -4.80 117.00 118.73 3iyl n LEU 540 Ca 0.00 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 54.95 3iyl n LEU 540 Cb 0.00 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 43.95 3iyl n LEU 540 CO 0.00 0.00 0.28 0.54 -1.11 0.00 0.00 177.39 177.10 3iyl s VAL 541 N -1.70 -0.70 0.69 1.96 0.11 -1.03 -3.00 120.40 116.73 3iyl s VAL 541 Ca 0.00 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.94 3iyl s VAL 541 Cb 0.00 -0.75 0.01 0.00 -1.53 0.00 0.00 36.38 34.11 3iyl s VAL 541 CO 0.00 0.00 1.08 0.42 -3.33 0.00 0.00 175.10 173.27 3iyl s THR 542 N 2.88 3.55 -0.28 5.04 -4.23 -1.18 -4.45 115.64 116.97 3iyl s THR 542 Ca 0.16 0.45 0.01 0.00 -1.18 0.00 0.00 61.69 61.13 3iyl s THR 542 Cb -0.08 -3.49 0.06 0.00 1.34 0.00 0.00 72.50 70.33 3iyl s THR 542 CO -0.23 -0.63 -0.05 0.28 -0.54 0.00 0.00 174.62 173.44 3iyl s THR 543 N -3.32 2.52 0.60 3.99 -1.32 -1.26 -1.44 115.64 115.41 3iyl s THR 543 Ca 0.58 -1.60 0.05 0.00 -1.21 0.00 0.00 61.69 59.51 3iyl s THR 543 Cb -0.11 -2.50 0.08 0.00 -1.51 0.00 0.00 72.50 68.47 3iyl s THR 543 CO 0.51 -0.11 0.83 0.68 -2.21 0.00 0.00 174.62 174.32 3iyl s VAL 544 N 1.15 2.31 -0.24 5.08 -7.23 -0.88 -2.65 120.40 117.94 3iyl s VAL 544 Ca -0.06 -0.83 -0.14 0.00 -1.81 0.00 0.00 61.98 59.14 3iyl s VAL 544 Cb -0.20 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 3iyl s VAL 544 CO -0.04 0.00 0.31 -0.76 -0.31 0.00 0.00 175.10 174.31 3iyl s LEU 545 N -4.79 4.10 0.02 1.32 1.43 -1.26 -1.24 118.68 118.25 3iyl s LEU 545 Ca 0.62 0.30 -0.38 0.00 -1.03 0.00 0.00 54.13 53.64 3iyl s LEU 545 Cb -0.07 -2.35 -0.18 0.00 0.03 0.00 0.00 46.19 43.62 3iyl s LEU 545 CO 0.40 -0.07 1.28 -1.54 0.23 0.00 0.00 176.35 176.65 3iyl n SER 546 N 4.74 1.13 -0.17 2.29 3.41 -0.58 -4.79 113.62 119.65 3iyl n SER 546 Ca -0.10 1.13 0.26 0.00 -0.26 0.00 0.00 58.87 59.90 3iyl n SER 546 Cb 0.51 -1.09 0.69 0.00 -0.26 0.00 0.00 64.21 64.06 3iyl n SER 546 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3iyl h GLU 547 N 4.20 0.06 -0.67 4.33 3.07 -1.95 0.04 114.58 123.66 3iyl h GLU 547 Ca -0.49 -0.00 0.07 0.00 -0.50 0.00 0.00 59.36 58.44 3iyl h GLU 547 Cb 1.37 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 29.22 3iyl h GLU 547 CO 0.75 0.04 0.44 -0.44 -1.40 0.00 0.00 179.01 178.40 3iyl h ASP 548 N 0.06 0.57 -0.43 1.42 3.32 -1.99 -2.45 116.42 116.91 3iyl h ASP 548 Ca 0.42 0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.56 3iyl h ASP 548 Cb 1.56 -0.12 -0.08 0.00 0.22 0.00 0.00 39.33 40.92 3iyl h ASP 548 CO -0.03 0.36 -0.08 0.00 -1.72 0.00 0.00 179.24 177.77 3iyl h ALA 549 N 1.64 0.32 -2.84 3.45 0.00 -1.31 -3.42 119.26 117.10 3iyl h ALA 549 Ca 0.29 0.16 -0.56 0.00 0.00 0.00 0.00 54.91 54.80 3iyl h ALA 549 Cb 0.33 0.30 0.13 0.00 0.00 0.00 0.00 17.79 18.55 3iyl h ALA 549 CO -0.09 -0.43 0.50 1.19 0.00 0.00 0.00 179.25 180.42 3iyl n PHE 550 N -5.29 2.10 -3.16 0.00 3.01 -0.92 -4.68 117.46 108.51 3iyl n PHE 550 Ca 0.03 0.47 -0.45 0.00 1.01 0.00 0.00 57.45 58.51 3iyl n PHE 550 Cb 0.23 -2.36 -0.04 0.00 -0.01 0.00 0.00 39.48 37.31 3iyl n PHE 550 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3iyl s PRO 551 N -2.48 3.14 0.00 -1.08 0.04 -1.26 -4.98 135.00 128.37 3iyl s PRO 551 Ca 0.66 -1.56 0.00 0.00 0.04 0.00 0.00 61.00 60.14 3iyl s PRO 551 Cb -0.47 -4.34 0.00 0.00 0.04 0.00 0.00 34.50 29.74 3iyl s PRO 551 CO 0.54 -1.49 0.00 -0.40 0.04 0.00 0.00 177.00 175.69 3iyl n ASP 552 N 5.87 0.00 -4.57 6.66 5.75 -1.26 -4.67 116.55 124.33 3iyl n ASP 552 Ca -0.05 0.00 -0.23 0.00 -0.01 0.00 0.00 54.79 54.50 3iyl n ASP 552 Cb 0.43 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.45 3iyl n ASP 552 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3iyl s SER 553 N 0.00 4.58 0.00 -1.12 1.04 -1.26 -0.74 113.70 116.19 3iyl s SER 553 Ca 0.00 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.51 3iyl s SER 553 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 3iyl s SER 553 CO 0.00 -3.42 0.00 -1.54 0.98 0.00 0.00 173.24 169.26 3iyl n SER 554 N 15.97 0.00 -4.94 7.02 3.41 -1.26 -4.82 113.62 129.00 3iyl n SER 554 Ca 0.43 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.78 3iyl n SER 554 Cb 0.46 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 3iyl n SER 554 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3iyl s GLN 555 N 0.00 3.47 0.61 4.33 2.00 0.08 -5.12 119.66 125.03 3iyl s GLN 555 Ca 0.00 -0.51 0.04 0.00 -2.00 0.00 0.00 55.36 52.89 3iyl s GLN 555 Cb 0.00 -2.92 0.08 0.00 0.80 0.00 0.00 33.01 30.98 3iyl s GLN 555 CO 0.00 0.47 0.85 -1.12 -0.50 0.00 0.00 175.29 174.99 3iyl s SER 556 N -3.23 4.89 0.16 6.67 0.01 -1.26 -4.50 113.70 116.44 3iyl s SER 556 Ca 0.36 -0.44 0.22 0.00 1.31 0.00 0.00 55.95 57.40 3iyl s SER 556 Cb -0.11 -0.17 -0.06 0.00 0.21 0.00 0.00 66.02 65.89 3iyl s SER 556 CO 0.29 -1.45 0.94 0.00 0.41 0.00 0.00 173.24 173.43 3iyl n ILE 557 N -2.46 0.57 0.25 1.44 3.06 -1.22 -3.47 119.36 117.54 3iyl n ILE 557 Ca 0.13 -0.55 0.10 0.00 -2.50 0.00 0.00 62.75 59.92 3iyl n ILE 557 Cb 0.60 -0.31 0.64 0.00 0.54 0.00 0.00 39.64 41.11 3iyl n ILE 557 CO 0.00 0.00 0.00 0.71 -2.50 0.00 0.00 176.55 174.76 3iyl h THR 558 N 0.00 0.80 -2.30 9.51 1.35 -1.91 -3.39 112.91 116.98 3iyl h THR 558 Ca -0.01 -0.58 -0.53 0.00 -0.55 0.00 0.00 66.41 64.74 3iyl h THR 558 Cb 1.04 1.34 -0.03 0.00 -1.73 0.00 0.00 68.15 68.77 3iyl h THR 558 CO 0.00 0.15 1.31 -2.28 -0.25 0.00 0.00 175.52 174.45 3iyl s HIS 559 N -4.37 1.75 0.14 4.73 5.65 -1.23 -4.63 115.29 117.33 3iyl s HIS 559 Ca -0.03 0.74 -0.19 0.00 0.25 0.00 0.00 55.06 55.83 3iyl s HIS 559 Cb 0.14 -4.11 0.01 0.00 -1.18 0.00 0.00 32.58 27.44 3iyl s HIS 559 CO 0.63 -2.49 1.70 -0.07 -0.65 0.00 0.00 174.74 173.86 3iyl h LEU 560 N 15.27 -0.20 -1.88 8.88 3.38 -1.90 -1.48 115.31 137.38 3iyl h LEU 560 Ca -0.28 0.07 0.17 0.00 0.09 0.00 0.00 57.88 57.93 3iyl h LEU 560 Cb 1.16 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 3iyl h LEU 560 CO 1.15 -0.07 0.46 -0.65 0.09 0.00 0.00 178.44 179.42 3iyl h PRO 561 N 0.02 0.11 -0.01 1.13 0.11 -1.95 -1.75 132.00 129.67 3iyl h PRO 561 Ca 0.12 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.17 3iyl h PRO 561 Cb 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.27 3iyl h PRO 561 CO -0.25 0.07 -0.20 1.03 -0.21 0.00 0.00 178.00 178.44 3iyl h SER 562 N 0.11 0.20 0.62 -2.05 0.87 -1.67 -2.64 113.55 109.00 3iyl h SER 562 Ca 0.32 -0.74 -0.01 0.00 -1.23 0.00 0.00 61.79 60.13 3iyl h SER 562 Cb 1.10 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 63.00 3iyl h SER 562 CO -0.04 0.91 -0.03 0.00 -0.53 0.00 0.00 176.83 177.15 3iyl h MET 563 N -0.50 0.00 0.22 2.24 -0.00 -0.60 -2.49 114.93 113.79 3iyl h MET 563 Ca -0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 59.70 59.34 3iyl h MET 563 Cb 0.94 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 32.56 3iyl h MET 563 CO 0.04 0.03 -1.60 -1.49 -0.00 0.00 0.00 176.91 173.89 3iyl h TRP 564 N 0.00 0.83 0.00 -0.10 4.06 -1.39 -2.19 115.95 117.16 3iyl h TRP 564 Ca -0.00 -0.60 0.00 0.00 2.06 0.00 0.00 58.89 60.35 3iyl h TRP 564 Cb 0.35 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.48 3iyl h TRP 564 CO 0.00 1.62 0.00 1.17 -3.56 0.00 0.00 178.44 177.67 3iyl n LYS 565 N -3.68 0.14 -0.05 0.49 4.81 -0.99 -1.28 118.16 117.60 3iyl n LYS 565 Ca -0.21 0.60 -0.22 0.00 -0.87 0.00 0.00 58.31 57.61 3iyl n LYS 565 Cb 1.08 -1.92 -0.13 0.00 0.02 0.00 0.00 35.03 34.08 3iyl n LYS 565 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3iyl h LEU 567 N -0.42 0.10 -0.17 0.00 7.12 -0.52 0.11 115.31 121.53 3iyl h LEU 567 Ca -0.41 -0.01 -0.09 0.00 0.13 0.00 0.00 57.88 57.50 3iyl h LEU 567 Cb 1.71 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 41.80 3iyl h LEU 567 CO -0.06 0.15 -0.43 -0.26 -0.13 0.00 0.00 178.44 177.71 3iyl h PHE 568 N 0.11 0.00 0.00 1.25 -1.00 -1.43 -2.80 116.94 113.07 3iyl h PHE 568 Ca 0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.81 3iyl h PHE 568 Cb 0.13 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.69 3iyl h PHE 568 CO 0.00 0.43 0.00 -0.11 -1.61 0.00 0.00 178.31 177.02 3iyl n LEU 569 N -3.25 0.00 -0.06 1.54 7.94 -0.00 -3.10 117.00 120.07 3iyl n LEU 569 Ca 0.02 0.25 -0.10 0.00 -1.11 0.00 0.00 56.01 55.06 3iyl n LEU 569 Cb 0.68 -0.25 -0.03 0.00 0.53 0.00 0.00 43.42 44.35 3iyl n LEU 569 CO 0.39 -0.00 -0.65 0.41 -1.11 0.00 0.00 177.39 176.43 3iyl n THR 570 N -1.25 1.32 -0.43 1.96 -1.04 -1.01 -3.61 114.28 110.23 3iyl n THR 570 Ca 0.16 0.10 0.39 0.00 -2.04 0.00 0.00 64.05 62.66 3iyl n THR 570 Cb 0.22 -2.02 0.75 0.00 -1.82 0.00 0.00 70.33 67.47 3iyl n THR 570 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3iyl h LEU 571 N -0.69 0.03 -0.06 -4.42 3.38 -1.63 0.41 115.31 112.35 3iyl h LEU 571 Ca -0.13 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3iyl h LEU 571 Cb 0.88 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3iyl h LEU 571 CO -0.08 -0.00 -0.92 0.00 0.09 0.00 0.00 178.44 177.53 3iyl n ALA 572 N -2.78 4.58 -0.10 1.53 0.00 -1.18 -4.71 120.51 117.85 3iyl n ALA 572 Ca 0.31 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3iyl n ALA 572 Cb 1.43 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 20.08 3iyl n ALA 572 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iyl n GLY 573 N 1.49 -2.87 0.52 0.00 0.00 0.15 -2.19 105.19 102.29 3iyl n GLY 573 Ca 0.04 0.32 0.34 0.00 0.00 0.00 0.00 46.02 46.73 3iyl n GLY 573 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3iyl h PRO 574 N 0.00 0.06 0.00 1.61 0.11 -1.84 0.70 132.00 132.64 3iyl h PRO 574 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3iyl h PRO 574 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 3iyl h PRO 574 CO 0.00 0.04 0.15 1.98 -0.21 0.00 0.00 178.00 179.96 3iyl h MET 575 N 0.07 0.00 -6.90 1.05 4.05 -1.73 -3.42 114.93 108.04 3iyl h MET 575 Ca 0.60 0.00 -0.46 0.00 -0.28 0.00 0.00 59.70 59.56 3iyl h MET 575 Cb 2.24 0.00 0.06 0.00 -0.80 0.00 0.00 31.60 33.09 3iyl h MET 575 CO -0.07 0.00 0.00 0.95 0.23 0.00 0.00 176.91 178.02 3iyl s THR 576 N -3.82 2.34 -0.21 -0.77 -4.23 0.24 -4.79 115.64 104.40 3iyl s THR 576 Ca -0.03 -0.72 0.12 0.00 -1.18 0.00 0.00 61.69 59.88 3iyl s THR 576 Cb 0.08 -2.62 0.42 0.00 1.34 0.00 0.00 72.50 71.72 3iyl s THR 576 CO 0.26 0.00 1.26 -1.54 -0.54 0.00 0.00 174.62 174.07 3iyl n SER 577 N -2.52 2.04 -4.64 3.99 3.41 -1.08 -5.00 113.62 109.82 3iyl n SER 577 Ca 0.13 -3.72 -0.41 0.00 -0.26 0.00 0.00 58.87 54.61 3iyl n SER 577 Cb 0.60 -0.53 -0.06 0.00 -0.26 0.00 0.00 64.21 63.96 3iyl n SER 577 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3iyl s ASP 578 N -3.00 6.66 0.05 4.04 -1.08 -1.17 -4.37 116.67 117.80 3iyl s ASP 578 Ca 0.38 0.81 0.03 0.00 -0.52 0.00 0.00 52.55 53.25 3iyl s ASP 578 Cb 0.36 -2.36 0.16 0.00 -1.46 0.00 0.00 42.92 39.62 3iyl s ASP 578 CO -0.04 -0.35 1.07 -0.81 0.52 0.00 0.00 175.17 175.56 3iyl n PRO 579 N 5.49 0.02 -0.32 4.34 -0.04 -1.26 -1.49 135.00 141.73 3iyl n PRO 579 Ca 0.00 0.50 0.07 0.00 -0.04 0.00 0.00 63.50 64.03 3iyl n PRO 579 Cb 0.49 -1.59 0.22 0.00 -0.04 0.00 0.00 33.50 32.58 3iyl n PRO 579 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3iyl n HIS 580 N -1.58 0.75 -0.04 0.54 8.25 -1.26 -4.68 115.22 117.20 3iyl n HIS 580 Ca -0.00 -0.66 -0.13 0.00 -0.26 0.00 0.00 57.72 56.67 3iyl n HIS 580 Cb 0.03 -0.16 -0.08 0.00 1.12 0.00 0.00 29.99 30.90 3iyl n HIS 580 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3iyl h SER 581 N 2.16 0.24 -0.75 0.41 0.87 -1.65 -2.04 113.55 112.79 3iyl h SER 581 Ca 0.00 -0.49 0.22 0.00 -1.23 0.00 0.00 61.79 60.29 3iyl h SER 581 Cb 1.08 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.94 3iyl h SER 581 CO 0.11 0.68 0.75 -0.65 -0.53 0.00 0.00 176.83 177.19 3iyl h PRO 582 N -0.19 0.00 0.00 2.24 0.11 -1.83 0.14 132.00 132.47 3iyl h PRO 582 Ca 0.01 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.08 3iyl h PRO 582 Cb 0.61 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 3iyl h PRO 582 CO 0.02 0.00 -0.63 0.28 -0.21 0.00 0.00 178.00 177.46 3iyl h VAL 583 N 0.00 0.16 -1.03 3.15 2.07 -1.88 -3.17 116.25 115.56 3iyl h VAL 583 Ca 0.36 -1.21 0.30 0.00 0.82 0.00 0.00 66.70 66.96 3iyl h VAL 583 Cb 1.85 0.40 -0.13 0.00 -1.52 0.00 0.00 31.29 31.88 3iyl h VAL 583 CO -0.00 0.06 0.61 0.11 0.02 0.00 0.00 177.57 178.36 3iyl h LYS 584 N -1.00 0.40 0.09 1.57 1.57 -0.65 0.60 116.57 119.14 3iyl h LYS 584 Ca -0.06 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3iyl h LYS 584 Cb 0.64 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3iyl h LYS 584 CO -0.04 0.26 -0.04 0.28 -0.57 0.00 0.00 179.45 179.34 3iyl h VAL 585 N 0.41 0.00 -1.13 0.50 2.07 -0.93 -1.16 116.25 116.01 3iyl h VAL 585 Ca 0.69 -0.02 0.37 0.00 0.82 0.00 0.00 66.70 68.56 3iyl h VAL 585 Cb 1.56 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.19 3iyl h VAL 585 CO -0.51 0.00 0.69 0.15 0.02 0.00 0.00 177.57 177.91 3iyl h PHE 586 N -0.14 0.73 -0.54 1.57 3.57 -1.23 0.23 116.94 121.13 3iyl h PHE 586 Ca -0.01 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 3iyl h PHE 586 Cb 0.09 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3iyl h PHE 586 CO 0.17 -0.18 -0.11 1.98 -2.23 0.00 0.00 178.31 177.94 3iyl h MET 587 N 0.21 1.02 -0.81 1.11 4.05 0.27 -2.30 114.93 118.47 3iyl h MET 587 Ca 0.76 -0.37 0.15 0.00 -0.28 0.00 0.00 59.70 59.96 3iyl h MET 587 Cb 2.04 -0.07 -0.10 0.00 -0.80 0.00 0.00 31.60 32.68 3iyl h MET 587 CO -0.51 1.06 0.37 0.00 0.23 0.00 0.00 176.91 178.06 3iyl h ALA 588 N 0.96 1.20 0.00 0.39 0.00 0.77 0.22 119.26 122.80 3iyl h ALA 588 Ca 0.14 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 3iyl h ALA 588 Cb 0.67 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3iyl h ALA 588 CO 0.05 -0.17 -0.55 1.25 0.00 0.00 0.00 179.25 179.82 3iyl h LEU 589 N 0.52 0.00 -1.44 0.00 5.85 -1.51 -2.15 115.31 116.58 3iyl h LEU 589 Ca 0.45 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.16 3iyl h LEU 589 Cb 0.69 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 3iyl h LEU 589 CO -0.40 0.55 -0.08 0.00 -0.34 0.00 0.00 178.44 178.17 3iyl h ALA 590 N 1.45 1.03 0.00 1.25 0.00 -0.11 -3.05 119.26 119.83 3iyl h ALA 590 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3iyl h ALA 590 Cb 1.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3iyl h ALA 590 CO 0.07 0.10 -0.04 -0.91 0.00 0.00 0.00 179.25 178.47 3iyl h ASN 591 N 0.00 0.00 -0.52 0.00 2.35 -0.55 -3.37 115.58 113.48 3iyl h ASN 591 Ca -0.00 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.80 3iyl h ASN 591 Cb 0.55 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.86 3iyl h ASN 591 CO 0.01 0.33 -0.31 0.18 -1.65 0.00 0.00 177.43 175.99 3iyl n LEU 592 N -3.75 -0.56 -4.30 1.61 4.77 -0.83 -1.84 117.00 112.10 3iyl n LEU 592 Ca -0.01 1.37 -0.44 0.00 -0.03 0.00 0.00 56.01 56.91 3iyl n LEU 592 Cb 0.02 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 3iyl n LEU 592 CO 0.01 -0.98 1.42 0.00 -1.33 0.00 0.00 177.39 176.50 3iyl n LEU 593 N -4.18 5.62 0.04 2.23 -0.00 -1.15 -3.37 117.00 116.19 3iyl n LEU 593 Ca 0.01 -4.62 0.04 0.00 -0.00 0.00 0.00 56.01 51.45 3iyl n LEU 593 Cb 0.14 -1.55 -0.07 0.00 -0.00 0.00 0.00 43.42 41.93 3iyl n LEU 593 CO -0.08 1.00 -0.31 0.00 -0.00 0.00 0.00 177.39 177.99 3iyl n ALA 594 N 4.63 2.21 -0.11 1.47 0.00 -0.77 -3.61 120.51 124.34 3iyl n ALA 594 Ca 0.35 -0.49 -0.18 0.00 0.00 0.00 0.00 53.44 53.12 3iyl n ALA 594 Cb 0.40 -0.93 -0.13 0.00 0.00 0.00 0.00 19.45 18.80 3iyl n ALA 594 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3iyl n GLN 595 N -2.73 0.67 0.09 0.00 7.27 -1.26 -3.37 117.38 118.04 3iyl n GLN 595 Ca -0.07 0.15 -0.06 0.00 0.07 0.00 0.00 57.00 57.09 3iyl n GLN 595 Cb 0.73 -1.55 0.10 0.00 2.41 0.00 0.00 30.24 31.94 3iyl n GLN 595 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 3iyl h PRO 596 N 0.01 0.23 -2.20 3.69 0.13 -1.92 -3.31 132.00 128.62 3iyl h PRO 596 Ca -0.55 -0.17 -0.59 0.00 -0.87 0.00 0.00 66.00 63.82 3iyl h PRO 596 Cb 1.95 0.03 -0.42 0.00 0.13 0.00 0.00 31.00 32.69 3iyl h PRO 596 CO -0.05 0.79 -0.67 0.39 -0.23 0.00 0.00 178.00 178.23 3iyl n GLU 597 N -3.84 2.56 -2.17 0.86 -0.58 -1.24 -4.90 120.64 111.33 3iyl n GLU 597 Ca -0.03 -4.58 -0.31 0.00 -0.42 0.00 0.00 57.16 51.83 3iyl n GLU 597 Cb 0.64 -2.15 -0.05 0.00 -0.57 0.00 0.00 31.44 29.31 3iyl n GLU 597 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3iyl s PRO 598 N -2.69 2.80 -0.13 3.49 0.04 -1.22 -4.67 135.00 132.63 3iyl s PRO 598 Ca 0.42 -1.04 -0.09 0.00 0.04 0.00 0.00 61.00 60.33 3iyl s PRO 598 Cb 0.20 -5.24 -0.04 0.00 0.04 0.00 0.00 34.50 29.45 3iyl s PRO 598 CO -0.06 -3.45 0.17 -1.50 0.04 0.00 0.00 177.00 172.20 3iyl s ILE 599 N 9.37 5.43 0.23 0.56 2.07 -1.26 -5.02 121.20 132.58 3iyl s ILE 599 Ca 0.65 0.28 -0.30 0.00 -1.41 0.00 0.00 60.65 59.88 3iyl s ILE 599 Cb -0.02 -3.46 -0.09 0.00 0.13 0.00 0.00 42.46 39.03 3iyl s ILE 599 CO 0.07 0.56 1.23 0.00 -1.91 0.00 0.00 174.94 174.89 3iyl s ALA 600 N -0.63 3.47 -0.25 1.50 0.00 -1.26 -4.62 121.76 119.97 3iyl s ALA 600 Ca 0.14 1.03 -0.12 0.00 0.00 0.00 0.00 51.96 53.01 3iyl s ALA 600 Cb -0.12 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 3iyl s ALA 600 CO 0.03 -0.42 0.25 0.42 0.00 0.00 0.00 175.76 176.04 3iyl s ILE 601 N -0.37 5.28 0.12 0.00 1.01 -1.26 -4.88 121.20 121.10 3iyl s ILE 601 Ca 0.52 0.34 -0.25 0.00 0.00 0.00 0.00 60.65 61.25 3iyl s ILE 601 Cb -0.35 -3.58 -0.06 0.00 0.01 0.00 0.00 42.46 38.48 3iyl s ILE 601 CO 0.40 0.27 1.65 1.23 0.00 0.00 0.00 174.94 178.49 3iyl h GLY 602 N 8.00 -0.34 -6.80 6.18 0.00 -1.93 -3.43 103.07 104.75 3iyl h GLY 602 Ca -0.36 0.26 -0.74 0.00 0.00 0.00 0.00 47.33 46.49 3iyl h GLY 602 CO 0.63 -0.19 1.16 1.55 0.00 0.00 0.00 176.54 179.69 3iyl n VAL 603 N -5.35 0.15 -1.62 4.60 3.14 -1.26 -4.87 118.33 113.13 3iyl n VAL 603 Ca -0.05 -0.10 -0.39 0.00 -2.96 0.00 0.00 64.34 60.83 3iyl n VAL 603 Cb 0.26 -1.09 0.03 0.00 -1.06 0.00 0.00 33.84 31.98 3iyl n VAL 603 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 3iyl n PRO 604 N 6.73 1.20 -0.93 1.45 -0.04 -1.26 -2.44 135.00 139.72 3iyl n PRO 604 Ca 0.40 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 64.30 3iyl n PRO 604 Cb 0.09 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 3iyl n PRO 604 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3iyl n GLY 605 N 1.19 0.37 3.05 0.55 0.00 -1.26 -4.98 105.19 104.11 3iyl n GLY 605 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 3iyl n GLY 605 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3iyl s MET 606 N -0.73 0.82 0.10 1.61 -1.94 -1.02 -5.13 119.30 113.01 3iyl s MET 606 Ca 0.00 -0.40 0.06 0.00 -1.71 0.00 0.00 55.69 53.64 3iyl s MET 606 Cb 0.00 -0.79 -0.03 0.00 2.01 0.00 0.00 34.83 36.02 3iyl s MET 606 CO 0.00 0.21 -0.15 -1.01 -0.01 0.00 0.00 175.02 174.06 3iyl s HIS 607 N -0.31 1.42 0.47 -0.03 0.09 -1.26 -4.68 115.29 110.99 3iyl s HIS 607 Ca 0.03 -0.50 0.17 0.00 -0.00 0.00 0.00 55.06 54.76 3iyl s HIS 607 Cb -0.04 -0.76 0.58 0.00 -0.00 0.00 0.00 32.58 32.35 3iyl s HIS 607 CO -0.00 0.13 0.96 0.94 -0.00 0.00 0.00 174.74 176.77 3iyl n GLN 608 N 0.85 0.01 -0.50 1.40 7.27 -1.26 0.20 117.38 125.34 3iyl n GLN 608 Ca -0.18 0.78 0.08 0.00 0.07 0.00 0.00 57.00 57.75 3iyl n GLN 608 Cb 0.55 -1.96 0.30 0.00 2.41 0.00 0.00 30.24 31.55 3iyl n GLN 608 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 3iyl n THR 609 N -2.66 1.46 -2.72 1.69 -2.24 -1.26 -3.84 114.28 104.71 3iyl n THR 609 Ca 0.15 -0.97 -0.42 0.00 -2.27 0.00 0.00 64.05 60.54 3iyl n THR 609 Cb 1.11 0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 69.41 3iyl n THR 609 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3iyl s THR 610 N -1.73 4.76 -0.20 4.28 2.01 0.52 -4.79 115.64 120.49 3iyl s THR 610 Ca 0.43 2.06 -0.40 0.00 0.31 0.00 0.00 61.69 64.09 3iyl s THR 610 Cb 0.27 -4.32 -0.17 0.00 0.01 0.00 0.00 72.50 68.29 3iyl s THR 610 CO 0.22 0.21 1.59 -2.65 -0.69 0.00 0.00 174.62 173.29 3iyl n PRO 611 N 3.56 0.94 -0.21 4.92 -0.02 -1.26 -4.84 135.00 138.09 3iyl n PRO 611 Ca 0.05 0.34 -0.02 0.00 -2.02 0.00 0.00 63.50 61.86 3iyl n PRO 611 Cb 0.50 -1.98 0.05 0.00 -0.02 0.00 0.00 33.50 32.05 3iyl n PRO 611 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iyl h ALA 612 N 6.03 0.31 -0.96 3.55 0.00 -1.91 -1.66 119.26 124.62 3iyl h ALA 612 Ca -0.47 0.23 0.12 0.00 0.00 0.00 0.00 54.91 54.79 3iyl h ALA 612 Cb 1.34 0.56 -0.14 0.00 0.00 0.00 0.00 17.79 19.55 3iyl h ALA 612 CO 0.90 -0.49 -0.47 0.43 0.00 0.00 0.00 179.25 179.62 3iyl n SER 613 N -5.44 -0.83 -0.18 0.00 7.64 -1.26 -1.21 113.62 112.34 3iyl n SER 613 Ca 0.07 1.70 0.14 0.00 1.01 0.00 0.00 58.87 61.78 3iyl n SER 613 Cb 0.34 -0.30 0.26 0.00 -1.01 0.00 0.00 64.21 63.49 3iyl n SER 613 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 3iyl n GLN 614 N -5.31 -0.04 -2.11 1.43 -0.06 -0.62 -4.08 117.38 106.59 3iyl n GLN 614 Ca 0.06 0.78 -0.39 0.00 -2.00 0.00 0.00 57.00 55.46 3iyl n GLN 614 Cb 0.32 -1.34 -0.03 0.00 -4.06 0.00 0.00 30.24 25.13 3iyl n GLN 614 CO 0.00 0.00 0.00 -0.06 -0.20 0.00 0.00 177.06 176.80 3iyl s PHE 615 N -5.07 1.75 -0.28 3.69 0.40 -0.35 -4.75 117.98 113.37 3iyl s PHE 615 Ca -0.06 0.66 0.20 0.00 -0.60 0.00 0.00 56.93 57.14 3iyl s PHE 615 Cb 0.18 -4.16 0.48 0.00 0.51 0.00 0.00 43.02 40.02 3iyl s PHE 615 CO 0.43 -2.26 1.23 0.43 0.70 0.00 0.00 175.22 175.74 3iyl n SER 616 N 12.31 0.74 -3.73 1.36 7.64 -1.26 -4.59 113.62 126.10 3iyl n SER 616 Ca 0.19 -2.09 -0.12 0.00 1.01 0.00 0.00 58.87 57.86 3iyl n SER 616 Cb 0.52 -0.16 -0.11 0.00 -1.01 0.00 0.00 64.21 63.44 3iyl n SER 616 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3iyl s HIS 617 N -2.73 -0.42 -0.23 1.43 5.65 -1.26 -4.82 115.29 112.91 3iyl s HIS 617 Ca 0.22 0.98 0.15 0.00 0.25 0.00 0.00 55.06 56.66 3iyl s HIS 617 Cb 0.36 0.15 0.83 0.00 -1.18 0.00 0.00 32.58 32.74 3iyl s HIS 617 CO -0.06 -0.24 1.42 -2.30 -0.65 0.00 0.00 174.74 172.91 3iyl n PRO 618 N 3.61 0.10 -0.06 2.88 -0.02 -1.26 -1.39 135.00 138.85 3iyl n PRO 618 Ca -0.19 0.58 -0.12 0.00 -2.02 0.00 0.00 63.50 61.75 3iyl n PRO 618 Cb 0.56 -1.95 -0.11 0.00 -0.02 0.00 0.00 33.50 31.98 3iyl n PRO 618 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3iyl h GLY 619 N 0.00 -0.01 1.74 -1.23 0.00 -1.96 -3.33 103.07 98.28 3iyl h GLY 619 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3iyl h GLY 619 CO 0.00 -0.00 0.12 -2.08 0.00 0.00 0.00 176.54 174.57 3iyl h VAL 620 N -0.96 0.00 -1.57 4.60 2.07 -1.65 -3.45 116.25 115.30 3iyl h VAL 620 Ca -0.00 0.00 -0.70 0.00 0.82 0.00 0.00 66.70 66.81 3iyl h VAL 620 Cb 0.84 0.67 0.05 0.00 -1.52 0.00 0.00 31.29 31.33 3iyl h VAL 620 CO 0.00 0.00 0.47 0.79 0.02 0.00 0.00 177.57 178.85 3iyl n TRP 621 N -2.65 1.48 -2.07 1.57 7.02 -1.21 -4.65 117.44 116.93 3iyl n TRP 621 Ca -0.02 0.69 -0.40 0.00 -1.02 0.00 0.00 57.50 56.74 3iyl n TRP 621 Cb 0.16 -2.32 -0.02 0.00 -2.42 0.00 0.00 31.31 26.72 3iyl n TRP 621 CO 0.00 0.00 0.00 -2.14 -2.02 0.00 0.00 177.69 173.53 3iyl s PRO 622 N 0.86 4.24 0.30 -0.99 0.02 -1.26 -4.64 135.00 133.53 3iyl s PRO 622 Ca 0.87 2.24 0.04 0.00 0.02 0.00 0.00 61.00 64.17 3iyl s PRO 622 Cb -1.02 -2.99 0.47 0.00 0.02 0.00 0.00 34.50 30.99 3iyl s PRO 622 CO 0.51 -0.29 1.76 -1.00 -0.33 0.00 0.00 177.00 177.65 3iyl h PRO 623 N 3.18 0.44 -0.90 5.54 0.13 -1.93 -1.72 132.00 136.74 3iyl h PRO 623 Ca -0.49 -0.15 0.06 0.00 -0.87 0.00 0.00 66.00 64.55 3iyl h PRO 623 Cb 1.23 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 3iyl h PRO 623 CO 0.65 0.64 0.59 0.78 -0.23 0.00 0.00 178.00 180.42 3iyl h GLY 624 N 0.99 1.31 1.47 1.56 0.00 -1.90 -0.48 103.07 106.02 3iyl h GLY 624 Ca 0.06 -0.41 -0.19 0.00 0.00 0.00 0.00 47.33 46.79 3iyl h GLY 624 CO 0.04 0.30 -0.70 -2.75 0.00 0.00 0.00 176.54 173.43 3iyl h PHE 625 N 1.03 0.70 0.00 5.60 3.57 -1.79 -2.75 116.94 123.30 3iyl h PHE 625 Ca 0.39 -0.30 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3iyl h PHE 625 Cb 0.19 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.82 3iyl h PHE 625 CO -0.00 1.07 0.00 -0.07 -2.23 0.00 0.00 178.31 177.08 3iyl h LEU 626 N 0.37 0.00 -6.26 0.59 3.38 -0.38 -3.37 115.31 109.65 3iyl h LEU 626 Ca -0.03 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.66 3iyl h LEU 626 Cb 1.29 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.76 3iyl h LEU 626 CO 0.13 0.00 -0.62 0.21 0.09 0.00 0.00 178.44 178.25 3iyl s ASN 627 N -5.26 0.43 0.42 -0.43 2.47 -0.30 -5.02 114.94 107.25 3iyl s ASN 627 Ca 0.01 -1.35 0.28 0.00 0.42 0.00 0.00 52.86 52.22 3iyl s ASN 627 Cb 0.09 0.94 1.40 0.00 -1.45 0.00 0.00 41.25 42.24 3iyl s ASN 627 CO 0.48 -0.24 1.62 -0.65 -3.72 0.00 0.00 177.10 174.59 3iyl h PRO 628 N 7.06 0.08 -0.96 0.43 0.11 -1.66 -0.33 132.00 136.73 3iyl h PRO 628 Ca 0.05 -0.00 0.28 0.00 0.11 0.00 0.00 66.00 66.43 3iyl h PRO 628 Cb 1.09 -0.02 -0.14 0.00 0.11 0.00 0.00 31.00 32.04 3iyl h PRO 628 CO 0.17 0.05 0.47 1.96 -0.21 0.00 0.00 178.00 180.45 3iyl h GLN 629 N 0.09 0.33 -0.91 1.05 4.20 -1.94 -0.97 115.11 116.94 3iyl h GLN 629 Ca 0.82 -0.02 0.17 0.00 0.06 0.00 0.00 58.65 59.69 3iyl h GLN 629 Cb 2.50 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 30.14 3iyl h GLN 629 CO -0.47 0.22 0.59 -0.07 -0.67 0.00 0.00 178.83 178.42 3iyl h LEU 630 N 0.34 0.59-10.25 1.46 3.38 -1.31 -3.41 115.31 106.10 3iyl h LEU 630 Ca 0.66 0.05 -0.49 0.00 0.09 0.00 0.00 57.88 58.20 3iyl h LEU 630 Cb 1.42 -0.06 0.04 0.00 0.09 0.00 0.00 40.66 42.15 3iyl h LEU 630 CO -0.60 0.26 0.39 -0.63 0.09 0.00 0.00 178.44 177.95 3iyl s ILE 631 N -5.62 4.45 -0.02 1.22 1.01 -0.37 -5.04 121.20 116.83 3iyl s ILE 631 Ca -0.09 1.03 -0.01 0.00 0.00 0.00 0.00 60.65 61.58 3iyl s ILE 631 Cb 0.23 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 3iyl s ILE 631 CO 0.79 -0.81 0.06 0.20 0.00 0.00 0.00 174.94 175.18 3iyl s ASN 632 N -3.40 5.55 0.17 3.58 0.01 -1.26 -4.92 114.94 114.67 3iyl s ASN 632 Ca 0.58 0.14 -0.13 0.00 -0.71 0.00 0.00 52.86 52.74 3iyl s ASN 632 Cb -0.11 -1.58 0.08 0.00 0.41 0.00 0.00 41.25 40.05 3iyl s ASN 632 CO 0.40 0.30 1.78 1.55 -1.51 0.00 0.00 177.10 179.62 3iyl h PRO 633 N 4.35 0.82 0.00 -0.60 0.13 -1.90 -1.97 132.00 132.83 3iyl h PRO 633 Ca -0.50 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 3iyl h PRO 633 Cb 1.19 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3iyl h PRO 633 CO 0.60 0.64 -1.16 0.00 -0.23 0.00 0.00 178.00 177.85 3iyl n GLN 634 N -4.57 0.49 0.12 0.86 0.00 -1.26 -1.75 117.38 111.27 3iyl n GLN 634 Ca 0.04 0.02 -0.06 0.00 0.00 0.00 0.00 57.00 57.00 3iyl n GLN 634 Cb 0.09 -1.69 -0.03 0.00 0.00 0.00 0.00 30.24 28.62 3iyl n GLN 634 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 3iyl h GLN 635 N 0.00 -0.37 -2.19 2.61 5.75 -1.96 -3.40 115.11 115.54 3iyl h GLN 635 Ca 0.00 0.03 -0.59 0.00 -0.15 0.00 0.00 58.65 57.94 3iyl h GLN 635 Cb 0.90 0.09 -0.41 0.00 1.07 0.00 0.00 27.48 29.12 3iyl h GLN 635 CO 0.00 -0.25 -0.79 0.00 -2.65 0.00 0.00 178.83 175.14 3iyl n ALA 636 N -2.73 3.39 -0.10 3.38 0.00 -0.75 -4.78 120.51 118.92 3iyl n ALA 636 Ca -0.05 -4.19 -0.04 0.00 0.00 0.00 0.00 53.44 49.17 3iyl n ALA 636 Cb 0.15 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 3iyl n ALA 636 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3iyl h PRO 637 N 4.27 -0.03 -0.88 0.00 0.13 -1.42 -2.32 132.00 131.75 3iyl h PRO 637 Ca 0.15 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.49 3iyl h PRO 637 Cb 0.76 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.78 3iyl h PRO 637 CO 0.67 -0.02 0.39 -0.07 -0.23 0.00 0.00 178.00 178.74 3iyl h LEU 638 N -0.03 0.34 0.15 1.56 3.38 -1.91 -1.81 115.31 116.99 3iyl h LEU 638 Ca 0.04 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3iyl h LEU 638 Cb 0.14 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3iyl h LEU 638 CO -0.25 0.03 -0.07 -0.07 0.09 0.00 0.00 178.44 178.17 3iyl h LEU 639 N 0.43 -0.17 -2.02 1.67 -0.00 -1.84 0.56 115.31 113.94 3iyl h LEU 639 Ca 0.53 -0.30 0.00 0.00 -0.00 0.00 0.00 57.88 58.12 3iyl h LEU 639 Cb 0.97 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.68 3iyl h LEU 639 CO -0.50 0.23 0.12 -0.09 -0.00 0.00 0.00 178.44 178.20 3iyl h ARG 640 N -0.60 0.00 0.00 1.13 2.43 -1.10 0.50 114.38 116.73 3iyl h ARG 640 Ca -0.02 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.84 3iyl h ARG 640 Cb 0.46 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.95 3iyl h ARG 640 CO 0.03 0.00 -2.06 0.00 -1.51 0.00 0.00 179.97 176.44 3iyl n ALA 641 N -1.88 1.59 0.11 2.80 0.00 -0.71 -3.27 120.51 119.16 3iyl n ALA 641 Ca -0.02 -1.04 -0.23 0.00 0.00 0.00 0.00 53.44 52.15 3iyl n ALA 641 Cb 0.16 -0.50 -0.15 0.00 0.00 0.00 0.00 19.45 18.96 3iyl n ALA 641 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3iyl h PHE 642 N 0.00 0.81 -0.38 0.00 3.57 0.39 -2.11 116.94 119.22 3iyl h PHE 642 Ca -0.40 -0.59 -0.14 0.00 3.53 0.00 0.00 57.97 60.36 3iyl h PHE 642 Cb 2.06 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.75 3iyl h PHE 642 CO 0.00 1.48 -0.34 0.00 -2.23 0.00 0.00 178.31 177.22 3iyl h ALA 643 N 0.12 0.68 -0.81 2.41 0.00 -0.43 -1.75 119.26 119.48 3iyl h ALA 643 Ca -0.22 -0.43 0.08 0.00 0.00 0.00 0.00 54.91 54.33 3iyl h ALA 643 Cb 1.97 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 19.57 3iyl h ALA 643 CO 0.22 0.67 0.47 1.49 0.00 0.00 0.00 179.25 182.11 3iyl h GLU 644 N 0.72 0.80 0.48 0.00 4.57 -1.60 0.12 114.58 119.67 3iyl h GLU 644 Ca 0.07 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 3iyl h GLU 644 Cb 0.91 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 3iyl h GLU 644 CO 0.08 0.53 -0.23 1.25 -1.18 0.00 0.00 179.01 179.46 3iyl h HIS 645 N 0.83 -0.60 -0.54 0.92 2.76 -0.93 -2.64 115.15 114.95 3iyl h HIS 645 Ca 0.38 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.47 3iyl h HIS 645 Cb 0.29 0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.42 3iyl h HIS 645 CO -0.06 -0.36 0.08 0.82 -1.30 0.00 0.00 177.93 177.12 3iyl h ILE 646 N -0.68 1.25 -0.41 6.26 2.04 -1.00 -1.94 117.51 123.05 3iyl h ILE 646 Ca -0.07 -0.96 0.11 0.00 1.00 0.00 0.00 64.86 64.95 3iyl h ILE 646 Cb 0.51 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 3iyl h ILE 646 CO 0.11 0.35 0.29 0.03 0.00 0.00 0.00 178.15 178.93 3iyl h ARG 647 N 0.78 0.02 -1.37 2.37 2.47 -0.77 -2.87 114.38 115.01 3iyl h ARG 647 Ca 0.16 -0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 58.36 3iyl h ARG 647 Cb 0.41 -0.01 -0.41 0.00 -1.65 0.00 0.00 29.97 28.31 3iyl h ARG 647 CO 0.01 0.02 -0.87 0.00 0.56 0.00 0.00 179.97 179.68 3iyl n ALA 648 N -2.61 4.55 0.00 0.04 0.00 -0.90 -4.80 120.51 116.79 3iyl n ALA 648 Ca 0.07 -3.96 0.00 0.00 0.00 0.00 0.00 53.44 49.54 3iyl n ALA 648 Cb 0.47 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.26 3iyl n ALA 648 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3iyl n ASN 649 N -0.35 0.00 -4.67 0.00 5.03 -0.78 -4.92 115.26 109.57 3iyl n ASN 649 Ca 0.30 0.00 -0.47 0.00 0.87 0.00 0.00 54.58 55.28 3iyl n ASN 649 Cb 0.71 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.42 3iyl n ASN 649 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.26 177.30 3iyl n TRP 650 N -0.65 2.30 -1.45 3.10 -0.00 -1.10 -4.74 117.44 114.88 3iyl n TRP 650 Ca 0.00 0.14 -0.48 0.00 -0.00 0.00 0.00 57.50 57.16 3iyl n TRP 650 Cb 0.00 -2.60 -0.03 0.00 -0.00 0.00 0.00 31.31 28.68 3iyl n TRP 650 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3iyl n PRO 651 N 4.86 0.31 -2.82 5.87 -0.04 -1.26 -4.91 135.00 137.02 3iyl n PRO 651 Ca 0.19 0.11 -0.42 0.00 -0.04 0.00 0.00 63.50 63.34 3iyl n PRO 651 Cb 0.29 -1.25 -0.04 0.00 -0.04 0.00 0.00 33.50 32.47 3iyl n PRO 651 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 3iyl s GLN 652 N -0.98 4.20 1.31 0.54 2.00 -1.26 -4.88 119.66 120.59 3iyl s GLN 652 Ca 0.66 1.06 -0.20 0.00 -2.00 0.00 0.00 55.36 54.88 3iyl s GLN 652 Cb -0.91 -3.65 0.31 0.00 0.80 0.00 0.00 33.01 29.56 3iyl s GLN 652 CO 0.57 -0.57 0.73 -0.35 -0.50 0.00 0.00 175.29 175.17 3iyl n PRO 653 N 6.13 -3.75 0.00 1.67 -0.04 -0.97 -2.60 135.00 135.45 3iyl n PRO 653 Ca 0.08 -1.10 0.00 0.00 -0.04 0.00 0.00 63.50 62.43 3iyl n PRO 653 Cb 0.47 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 3iyl n PRO 653 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3iyl n SER 654 N -4.46 0.00 -0.74 3.54 3.41 0.11 -4.59 113.62 110.88 3iyl n SER 654 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 3iyl n SER 654 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 3iyl n SER 654 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3iyl n GLU 655 N 0.00 0.00 0.00 4.33 0.28 -1.26 -0.29 120.64 123.70 3iyl n GLU 655 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3iyl n GLU 655 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 3iyl n GLU 655 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 3iyl n PHE 656 N 0.00 0.00 -1.59 -1.84 -1.74 -1.15 -4.79 117.46 106.35 3iyl n PHE 656 Ca 0.00 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.59 3iyl n PHE 656 Cb 0.00 0.00 0.23 0.00 1.52 0.00 0.00 39.48 41.23 3iyl n PHE 656 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 3iyl s GLY 657 N 0.00 1.73 -0.14 4.97 0.00 -1.26 -0.74 107.32 111.88 3iyl s GLY 657 Ca 0.00 -1.23 -0.32 0.00 0.00 0.00 0.00 44.72 43.17 3iyl s GLY 657 CO 0.00 -0.35 1.10 -2.52 0.00 0.00 0.00 173.10 171.33 3iyl s TYR 658 N -3.58 -0.21 0.19 1.90 -0.85 -1.16 -4.58 117.35 109.05 3iyl s TYR 658 Ca 0.75 0.17 0.00 0.00 -0.52 0.00 0.00 57.07 57.47 3iyl s TYR 658 Cb -0.04 0.51 0.00 0.00 0.38 0.00 0.00 41.96 42.81 3iyl s TYR 658 CO 0.55 -0.31 0.00 0.41 -1.52 0.00 0.00 175.55 174.68 3iyl n GLY 659 N -0.02 -1.55 3.94 5.49 0.00 -1.22 -4.42 105.19 107.41 3iyl n GLY 659 Ca -0.03 -1.11 -0.24 0.00 0.00 0.00 0.00 46.02 44.63 3iyl n GLY 659 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iyl s SER 660 N -5.70 6.02 0.13 1.61 0.15 -1.26 -4.26 113.70 110.38 3iyl s SER 660 Ca 0.00 0.50 0.16 0.00 0.70 0.00 0.00 55.95 57.31 3iyl s SER 660 Cb 0.00 -1.83 -0.08 0.00 -1.71 0.00 0.00 66.02 62.40 3iyl s SER 660 CO 0.00 -0.60 1.02 0.71 1.20 0.00 0.00 173.24 175.57 3iyl h THR 661 N 0.40 0.67 -0.16 6.45 1.35 -1.95 -3.24 112.91 116.43 3iyl h THR 661 Ca -0.47 -2.14 0.00 0.00 -0.55 0.00 0.00 66.41 63.25 3iyl h THR 661 Cb 1.23 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 69.85 3iyl h THR 661 CO 0.60 0.38 0.00 0.18 -0.25 0.00 0.00 175.52 176.43 3iyl n LEU 662 N -3.01 2.32 -0.02 3.87 4.32 -1.26 -4.22 117.00 118.99 3iyl n LEU 662 Ca -0.06 -1.17 -0.02 0.00 -0.02 0.00 0.00 56.01 54.74 3iyl n LEU 662 Cb 0.82 -0.54 -0.01 0.00 -1.62 0.00 0.00 43.42 42.07 3iyl n LEU 662 CO 0.42 0.35 -0.16 0.00 -1.22 0.00 0.00 177.39 176.79 3iyl n GLN 663 N 0.18 0.15 0.00 3.23 1.13 -1.22 -5.05 117.38 115.79 3iyl n GLN 663 Ca 0.08 0.20 0.00 0.00 -1.94 0.00 0.00 57.00 55.34 3iyl n GLN 663 Cb 0.51 -0.92 0.00 0.00 0.11 0.00 0.00 30.24 29.94 3iyl n GLN 663 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3iyl n GLY 664 N 1.60 1.26 0.00 1.08 0.00 -1.26 -4.48 105.19 103.39 3iyl n GLY 664 Ca -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3iyl n GLY 664 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3iyl n SER 665 N 0.00 0.00 0.00 1.61 2.88 -1.26 -4.32 113.62 112.52 3iyl n SER 665 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3iyl n SER 665 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3iyl n SER 665 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3iyl n ALA 666 N 0.00 0.00 -2.71 -1.46 0.00 -1.26 -4.42 120.51 110.65 3iyl n ALA 666 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3iyl n ALA 666 Cb 0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 19.45 19.14 3iyl n ALA 666 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3iyl s ASN 667 N -2.96 5.28 0.00 0.00 2.20 -1.26 -4.55 114.94 113.64 3iyl s ASN 667 Ca 0.00 0.01 0.00 0.00 -0.94 0.00 0.00 52.86 51.93 3iyl s ASN 667 Cb 0.00 -1.41 0.00 0.00 -2.00 0.00 0.00 41.25 37.84 3iyl s ASN 667 CO 0.00 0.26 0.00 0.18 -2.94 0.00 0.00 177.10 174.60 3iyl n LEU 668 N 1.19 1.01 -0.04 3.54 4.77 -1.26 -4.81 117.00 121.40 3iyl n LEU 668 Ca -0.13 0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 55.97 3iyl n LEU 668 Cb 0.52 -0.31 -0.11 0.00 -2.33 0.00 0.00 43.42 41.20 3iyl n LEU 668 CO 0.36 -0.31 0.52 -0.26 -1.33 0.00 0.00 177.39 176.38 3iyl h PHE 669 N 0.00 0.05 -3.92 -1.77 0.04 -1.96 -3.46 116.94 105.93 3iyl h PHE 669 Ca 0.00 -0.03 -0.48 0.00 2.80 0.00 0.00 57.97 60.27 3iyl h PHE 669 Cb 0.00 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3iyl h PHE 669 CO 0.00 0.73 0.39 0.96 -0.60 0.00 0.00 178.31 179.80 3iyl s ILE 670 N -3.42 3.89 0.63 -0.55 -4.36 -1.26 -4.99 121.20 111.15 3iyl s ILE 670 Ca -0.17 1.52 -0.18 0.00 -0.26 0.00 0.00 60.65 61.57 3iyl s ILE 670 Cb 0.00 -3.82 -0.14 0.00 1.25 0.00 0.00 42.46 39.74 3iyl s ILE 670 CO 0.69 0.08 -0.25 -2.65 0.24 0.00 0.00 174.94 173.05 3iyl n PRO 671 N 0.26 0.02 -1.30 0.37 -0.02 -1.26 -4.85 135.00 128.22 3iyl n PRO 671 Ca 0.03 0.01 -0.38 0.00 -2.02 0.00 0.00 63.50 61.14 3iyl n PRO 671 Cb 0.49 -1.04 0.04 0.00 -0.02 0.00 0.00 33.50 32.97 3iyl n PRO 671 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3iyl n SER 672 N 2.61 -2.44 -1.67 2.55 7.64 -1.26 -3.34 113.62 117.71 3iyl n SER 672 Ca 0.06 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.57 3iyl n SER 672 Cb 0.49 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 3iyl n SER 672 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3iyl n ASN 673 N 1.29 0.00 -3.23 6.43 6.94 -1.26 -4.83 115.26 120.59 3iyl n ASN 673 Ca 0.09 0.00 0.04 0.00 -0.02 0.00 0.00 54.58 54.69 3iyl n ASN 673 Cb 0.49 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.88 3iyl n ASN 673 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3iyl s ARG 674 N -1.33 0.21 0.92 -3.83 3.52 -1.21 -3.01 118.95 114.22 3iyl s ARG 674 Ca 0.00 0.44 -0.12 0.00 -0.13 0.00 0.00 55.73 55.92 3iyl s ARG 674 Cb 0.00 0.25 0.20 0.00 -1.56 0.00 0.00 34.95 33.85 3iyl s ARG 674 CO 0.00 -0.16 1.26 -1.64 -0.81 0.00 0.00 175.30 173.95 3iyl s MET 675 N 2.67 0.70 -0.17 5.12 -1.94 0.08 -4.43 119.30 121.34 3iyl s MET 675 Ca -0.01 -0.72 -0.01 0.00 -1.71 0.00 0.00 55.69 53.24 3iyl s MET 675 Cb -0.08 -1.97 0.05 0.00 2.01 0.00 0.00 34.83 34.84 3iyl s MET 675 CO -0.14 -2.29 -0.01 0.08 -0.01 0.00 0.00 175.02 172.65 3iyl s VAL 676 N -3.74 0.83 -0.06 -6.03 1.01 -1.26 -2.93 120.40 108.22 3iyl s VAL 676 Ca 0.74 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 62.13 3iyl s VAL 676 Cb -0.03 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3iyl s VAL 676 CO 0.51 0.01 0.14 -0.47 0.00 0.00 0.00 175.10 175.30 3iyl s TYR 677 N 1.74 3.53 0.06 5.22 6.04 0.61 -4.91 117.35 129.65 3iyl s TYR 677 Ca 0.00 0.41 -0.33 0.00 0.04 0.00 0.00 57.07 57.19 3iyl s TYR 677 Cb -0.16 -1.87 -0.19 0.00 -1.04 0.00 0.00 41.96 38.70 3iyl s TYR 677 CO -0.07 0.67 1.59 -1.35 -1.54 0.00 0.00 175.55 174.85 3iyl h PRO 678 N 4.44 -0.94 -6.80 4.97 0.11 -1.92 0.31 132.00 132.17 3iyl h PRO 678 Ca -0.52 0.06 -0.49 0.00 0.11 0.00 0.00 66.00 65.17 3iyl h PRO 678 Cb 1.21 0.21 0.03 0.00 0.11 0.00 0.00 31.00 32.56 3iyl h PRO 678 CO 0.63 -0.62 0.02 -1.58 -0.21 0.00 0.00 178.00 176.23 3iyl s TRP 679 N -5.96 3.54 0.10 0.65 0.52 -1.26 -2.28 118.94 114.25 3iyl s TRP 679 Ca -0.18 0.68 -0.31 0.00 0.02 0.00 0.00 56.10 56.31 3iyl s TRP 679 Cb 0.03 -2.18 -0.07 0.00 -1.15 0.00 0.00 33.47 30.10 3iyl s TRP 679 CO 0.61 -0.15 1.27 -1.25 0.02 0.00 0.00 176.95 177.45 3iyl s PRO 680 N -4.57 4.40 0.24 4.98 0.04 -1.07 -4.22 135.00 134.80 3iyl s PRO 680 Ca 0.45 1.90 0.07 0.00 0.04 0.00 0.00 61.00 63.46 3iyl s PRO 680 Cb -0.10 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 3iyl s PRO 680 CO 0.42 -0.30 0.14 0.54 0.04 0.00 0.00 177.00 177.83 3iyl s ASN 681 N 0.95 5.27 -0.05 6.66 2.20 -1.26 -4.79 114.94 123.92 3iyl s ASN 681 Ca 0.60 -0.34 -0.18 0.00 -0.94 0.00 0.00 52.86 52.01 3iyl s ASN 681 Cb -0.33 -1.27 0.04 0.00 -2.00 0.00 0.00 41.25 37.69 3iyl s ASN 681 CO 0.31 -0.02 0.40 -1.10 -2.94 0.00 0.00 177.10 173.75 3iyl s GLN 682 N -3.71 0.70 0.04 3.55 -0.21 -0.87 -5.02 119.66 114.14 3iyl s GLN 682 Ca 0.32 0.06 -0.36 0.00 0.02 0.00 0.00 55.36 55.40 3iyl s GLN 682 Cb -0.08 0.32 -0.15 0.00 1.00 0.00 0.00 33.01 34.11 3iyl s GLN 682 CO 0.23 -0.18 1.57 -2.30 -2.12 0.00 0.00 175.29 172.49 3iyl n PRO 683 N 1.55 1.69 -1.51 2.91 -0.02 -1.26 -4.36 135.00 133.99 3iyl n PRO 683 Ca -0.19 0.61 -0.35 0.00 -2.02 0.00 0.00 63.50 61.56 3iyl n PRO 683 Cb 0.56 -2.34 -0.15 0.00 -0.02 0.00 0.00 33.50 31.55 3iyl n PRO 683 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3iyl n LEU 684 N 3.88 0.26 -4.80 2.45 0.00 -1.25 -4.91 117.00 112.63 3iyl n LEU 684 Ca 0.20 -0.17 -0.34 0.00 0.00 0.00 0.00 56.01 55.69 3iyl n LEU 684 Cb 0.24 -0.97 -0.03 0.00 0.00 0.00 0.00 43.42 42.66 3iyl n LEU 684 CO 0.67 -1.11 0.72 -2.84 0.00 0.00 0.00 177.39 174.83 3iyl s PRO 685 N 8.45 3.70 -0.26 1.96 0.02 -1.26 -4.92 135.00 142.69 3iyl s PRO 685 Ca 1.27 1.36 -0.32 0.00 0.02 0.00 0.00 61.00 63.34 3iyl s PRO 685 Cb -0.95 -2.08 -0.09 0.00 0.02 0.00 0.00 34.50 31.40 3iyl s PRO 685 CO 0.45 -0.52 2.17 -2.13 -0.33 0.00 0.00 177.00 176.64 3iyl n ARG 686 N -1.14 1.60 -1.29 5.54 3.00 -1.26 -4.81 116.66 118.30 3iyl n ARG 686 Ca 0.09 0.46 -0.47 0.00 -0.00 0.00 0.00 57.85 57.93 3iyl n ARG 686 Cb 0.52 -2.82 -0.04 0.00 0.00 0.00 0.00 32.46 30.12 3iyl n ARG 686 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3iyl n LEU 687 N 10.28 -0.70 0.00 6.15 7.99 -1.26 -4.92 117.00 134.54 3iyl n LEU 687 Ca 0.34 1.03 -0.01 0.00 -0.01 0.00 0.00 56.01 57.35 3iyl n LEU 687 Cb 0.33 -0.84 0.01 0.00 -0.11 0.00 0.00 43.42 42.81 3iyl n LEU 687 CO 0.71 -2.32 0.19 0.35 -1.51 0.00 0.00 177.39 174.82 3iyl n THR 688 N 0.51 0.00 0.19 -5.08 -2.24 -1.26 -5.02 114.28 101.38 3iyl n THR 688 Ca 0.17 -0.17 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 3iyl n THR 688 Cb 0.17 0.21 0.23 0.00 -2.10 0.00 0.00 70.33 68.83 3iyl n THR 688 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3iyl h VAL 689 N 1.25 0.48 0.00 2.28 2.07 -1.98 -3.37 116.25 116.98 3iyl h VAL 689 Ca -0.07 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 65.98 3iyl h VAL 689 Cb 0.31 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 3iyl h VAL 689 CO 0.10 0.25 0.00 0.00 0.02 0.00 0.00 177.57 177.94 3iyl n ALA 690 N -2.18 -0.07 -2.13 1.67 0.00 -1.26 -4.19 120.51 112.35 3iyl n ALA 690 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.12 3iyl n ALA 690 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.98 3iyl n ALA 690 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3iyl s PRO 691 N -1.00 2.72 0.00 0.00 0.02 -1.26 -2.23 135.00 133.24 3iyl s PRO 691 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 61.00 61.03 3iyl s PRO 691 Cb 0.00 -4.75 0.00 0.00 0.02 0.00 0.00 34.50 29.77 3iyl s PRO 691 CO 0.00 -2.93 0.00 -2.37 -0.33 0.00 0.00 177.00 171.37 3iyl n THR 692 N 7.41 0.00 -0.42 0.99 5.66 -1.26 -4.32 114.28 122.35 3iyl n THR 692 Ca 0.29 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.29 3iyl n THR 692 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 3iyl n THR 692 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 3iyl n TYR 693 N 0.00 0.00 0.83 1.09 4.02 -0.95 -4.87 117.16 117.28 3iyl n TYR 693 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.99 3iyl n TYR 693 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.40 3iyl n TYR 693 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3iyl n ASP 694 N 0.00 2.63 -4.69 7.72 5.68 -1.17 -4.54 116.55 122.18 3iyl n ASP 694 Ca 0.00 -1.82 -0.32 0.00 -0.50 0.00 0.00 54.79 52.16 3iyl n ASP 694 Cb 0.00 0.01 0.15 0.00 -1.14 0.00 0.00 41.12 40.14 3iyl n ASP 694 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3iyl s SER 695 N -1.66 3.21 0.12 -1.12 0.01 -1.26 -4.82 113.70 108.18 3iyl s SER 695 Ca 0.23 2.21 -0.21 0.00 1.31 0.00 0.00 55.95 59.48 3iyl s SER 695 Cb 0.16 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.78 3iyl s SER 695 CO 0.25 -2.91 1.70 0.00 0.41 0.00 0.00 173.24 172.69 3iyl h ALA 696 N -1.57 0.05 -0.35 1.44 0.00 -1.86 -2.30 119.26 114.67 3iyl h ALA 696 Ca -0.44 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 3iyl h ALA 696 Cb 1.27 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 3iyl h ALA 696 CO 0.43 -0.51 0.02 1.98 0.00 0.00 0.00 179.25 181.17 3iyl h MET 697 N -0.05 0.54 -0.59 0.00 1.85 -1.91 -1.78 114.93 112.99 3iyl h MET 697 Ca 0.08 -0.11 0.00 0.00 -0.61 0.00 0.00 59.70 59.06 3iyl h MET 697 Cb 0.17 -0.08 -0.03 0.00 0.43 0.00 0.00 31.60 32.09 3iyl h MET 697 CO -0.17 0.55 0.38 0.77 -0.40 0.00 0.00 176.91 178.04 3iyl h SER 698 N 0.52 0.69 0.11 1.39 0.02 -1.74 0.33 113.55 114.88 3iyl h SER 698 Ca 0.11 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3iyl h SER 698 Cb 0.31 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3iyl h SER 698 CO 0.01 0.51 -0.05 -1.13 -1.14 0.00 0.00 176.83 175.03 3iyl h ASN 699 N 0.80 -0.13 0.19 3.07 -1.24 -0.90 0.33 115.58 117.70 3iyl h ASN 699 Ca 0.22 -0.04 0.01 0.00 0.71 0.00 0.00 56.30 57.19 3iyl h ASN 699 Cb -0.07 0.03 -0.02 0.00 0.73 0.00 0.00 38.32 38.99 3iyl h ASN 699 CO -0.04 -0.04 -0.24 -0.25 -1.29 0.00 0.00 177.43 175.57 3iyl h TRP 700 N -0.21 -0.64 -0.85 0.67 2.91 -0.89 0.26 115.95 117.19 3iyl h TRP 700 Ca -0.02 0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.10 3iyl h TRP 700 Cb 0.17 0.26 -0.07 0.00 -0.51 0.00 0.00 29.16 29.00 3iyl h TRP 700 CO -0.05 -0.35 0.50 0.82 -1.03 0.00 0.00 178.44 178.33 3iyl h ILE 701 N -0.48 0.93 0.00 2.65 2.04 -0.31 -2.19 117.51 120.15 3iyl h ILE 701 Ca 0.01 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3iyl h ILE 701 Cb 0.47 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 3iyl h ILE 701 CO -0.09 0.15 0.00 -0.24 0.00 0.00 0.00 178.15 177.98 3iyl n SER 702 N -4.71 0.00 0.08 1.72 2.88 0.10 -2.53 113.62 111.16 3iyl n SER 702 Ca 0.14 0.85 0.21 0.00 -1.33 0.00 0.00 58.87 58.74 3iyl n SER 702 Cb 0.27 -0.48 0.72 0.00 -0.75 0.00 0.00 64.21 63.97 3iyl n SER 702 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3iyl h THR 703 N 0.00 0.31 0.24 2.46 1.35 -0.55 0.11 112.91 116.83 3iyl h THR 703 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 3iyl h THR 703 Cb 0.00 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 67.01 3iyl h THR 703 CO 0.00 0.00 -0.11 0.74 -0.25 0.00 0.00 175.52 175.90 3iyl h THR 704 N 0.00 0.16 -1.00 6.82 2.02 -1.46 -0.80 112.91 118.66 3iyl h THR 704 Ca 0.21 -0.84 0.21 0.00 0.77 0.00 0.00 66.41 66.75 3iyl h THR 704 Cb 1.24 0.28 -0.10 0.00 -1.74 0.00 0.00 68.15 67.83 3iyl h THR 704 CO -0.00 0.05 0.62 0.40 0.37 0.00 0.00 175.52 176.95 3iyl h ILE 705 N -1.06 0.66 0.03 3.11 1.08 -1.07 0.47 117.51 120.74 3iyl h ILE 705 Ca -0.03 -0.23 0.01 0.00 -0.39 0.00 0.00 64.86 64.22 3iyl h ILE 705 Cb 0.32 -0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.00 3iyl h ILE 705 CO 0.05 0.12 -0.07 0.00 -0.69 0.00 0.00 178.15 177.56 3iyl h ALA 706 N 1.65 -0.10 -0.64 1.87 0.00 -0.80 -1.29 119.26 119.95 3iyl h ALA 706 Ca 0.58 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.48 3iyl h ALA 706 Cb 1.03 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3iyl h ALA 706 CO -0.36 -0.57 0.38 0.35 0.00 0.00 0.00 179.25 179.05 3iyl h PHE 707 N -0.14 0.84 0.00 0.00 3.57 0.13 -2.66 116.94 118.68 3iyl h PHE 707 Ca 0.02 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 3iyl h PHE 707 Cb 0.16 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 3iyl h PHE 707 CO -0.13 0.57 -0.28 0.74 -2.23 0.00 0.00 178.31 176.99 3iyl h PHE 708 N 0.86 0.00 0.00 0.41 -1.00 -0.52 -2.63 116.94 114.06 3iyl h PHE 708 Ca 0.23 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.97 3iyl h PHE 708 Cb -0.02 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 3iyl h PHE 708 CO -0.02 0.28 -0.18 0.82 -1.61 0.00 0.00 178.31 177.59 3iyl h ILE 709 N 0.00 0.90 0.00 -0.55 2.04 -0.87 -0.20 117.51 118.82 3iyl h ILE 709 Ca -0.00 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.17 3iyl h ILE 709 Cb 0.75 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 3iyl h ILE 709 CO 0.04 0.18 -0.59 0.08 0.00 0.00 0.00 178.15 177.85 3iyl h ARG 710 N 0.00 0.00 0.22 2.37 0.11 -1.45 -3.21 114.38 112.42 3iyl h ARG 710 Ca -0.00 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.78 3iyl h ARG 710 Cb 0.38 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.49 3iyl h ARG 710 CO 0.02 0.00 -1.34 0.28 0.10 0.00 0.00 179.97 179.03 3iyl h VAL 711 N 0.00 1.30 0.00 0.08 2.07 -0.95 -2.96 116.25 115.79 3iyl h VAL 711 Ca 0.00 -2.63 0.00 0.00 0.82 0.00 0.00 66.70 64.89 3iyl h VAL 711 Cb 0.93 3.05 0.00 0.00 -1.52 0.00 0.00 31.29 33.76 3iyl h VAL 711 CO 0.00 0.79 0.00 0.55 0.02 0.00 0.00 177.57 178.93 3iyl n VAL 712 N -3.82 0.07 -0.26 2.57 3.14 -0.23 -1.97 118.33 117.83 3iyl n VAL 712 Ca -0.17 0.02 0.05 0.00 -2.96 0.00 0.00 64.34 61.27 3iyl n VAL 712 Cb 1.03 -0.64 0.12 0.00 -1.06 0.00 0.00 33.84 33.29 3iyl n VAL 712 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3iyl n ASN 713 N -1.07 2.74 -4.72 6.55 5.03 -1.18 -4.93 115.26 117.68 3iyl n ASN 713 Ca 0.16 -2.17 -0.31 0.00 0.87 0.00 0.00 54.58 53.14 3iyl n ASN 713 Cb 0.11 -0.21 0.13 0.00 -1.02 0.00 0.00 39.78 38.79 3iyl n ASN 713 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3iyl s SER 714 N -1.20 3.67 0.22 6.41 1.04 -0.83 -4.91 113.70 118.10 3iyl s SER 714 Ca 0.19 2.01 -0.04 0.00 0.48 0.00 0.00 55.95 58.59 3iyl s SER 714 Cb 0.12 -2.54 0.19 0.00 0.10 0.00 0.00 66.02 63.89 3iyl s SER 714 CO 0.10 -2.60 1.63 0.58 0.98 0.00 0.00 173.24 173.93 3iyl h VAL 715 N -1.52 1.27 -0.97 5.02 2.07 -1.92 -2.92 116.25 117.28 3iyl h VAL 715 Ca -0.43 -1.33 0.09 0.00 0.82 0.00 0.00 66.70 65.84 3iyl h VAL 715 Cb 1.25 1.21 -0.07 0.00 -1.52 0.00 0.00 31.29 32.16 3iyl h VAL 715 CO 0.46 0.45 0.61 0.78 0.02 0.00 0.00 177.57 179.89 3iyl h ASN 716 N 0.67 0.94 -1.00 0.57 4.21 -1.94 -1.96 115.58 117.07 3iyl h ASN 716 Ca 0.09 0.03 0.21 0.00 1.21 0.00 0.00 56.30 57.84 3iyl h ASN 716 Cb 0.73 -0.17 -0.11 0.00 -1.12 0.00 0.00 38.32 37.66 3iyl h ASN 716 CO 0.06 0.56 0.61 0.24 -1.29 0.00 0.00 177.43 177.61 3iyl h MET 717 N 1.05 0.66 -0.97 0.81 2.86 -1.82 -2.26 114.93 115.27 3iyl h MET 717 Ca 0.45 -0.04 0.23 0.00 -2.06 0.00 0.00 59.70 58.28 3iyl h MET 717 Cb 0.31 -0.15 -0.18 0.00 0.06 0.00 0.00 31.60 31.64 3iyl h MET 717 CO -0.22 0.44 -0.10 -2.37 1.06 0.00 0.00 176.91 175.72 3iyl n THR 718 N -4.76 -0.41 -0.26 2.22 5.66 -0.74 -0.44 114.28 115.56 3iyl n THR 718 Ca 0.24 2.18 0.06 0.00 -3.05 0.00 0.00 64.05 63.48 3iyl n THR 718 Cb 0.63 -3.11 0.13 0.00 -1.55 0.00 0.00 70.33 66.43 3iyl n THR 718 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3iyl n ALA 719 N -3.39 0.22 0.00 1.79 0.00 -0.85 -2.86 120.51 115.43 3iyl n ALA 719 Ca 0.19 0.79 0.00 0.00 0.00 0.00 0.00 53.44 54.42 3iyl n ALA 719 Cb 0.63 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.58 3iyl n ALA 719 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3iyl n THR 720 N -5.12 0.00 -2.97 0.00 -2.24 -0.51 -5.02 114.28 98.41 3iyl n THR 720 Ca 0.13 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.50 3iyl n THR 720 Cb 0.41 0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 68.90 3iyl n THR 720 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3iyl s VAL 721 N -1.92 4.98 0.77 2.28 0.11 0.42 -5.04 120.40 121.99 3iyl s VAL 721 Ca 0.00 1.54 -0.11 0.00 -2.93 0.00 0.00 61.98 60.48 3iyl s VAL 721 Cb 0.00 -4.09 0.05 0.00 -1.53 0.00 0.00 36.38 30.81 3iyl s VAL 721 CO 0.00 0.17 1.09 0.21 -3.33 0.00 0.00 175.10 173.24 3iyl s ASN 722 N 0.95 4.54 0.15 3.54 2.47 -1.26 -4.43 114.94 120.91 3iyl s ASN 722 Ca 0.39 1.84 -0.10 0.00 0.42 0.00 0.00 52.86 55.40 3iyl s ASN 722 Cb -0.18 -2.52 -0.01 0.00 -1.45 0.00 0.00 41.25 37.09 3iyl s ASN 722 CO 0.17 -2.01 1.52 -0.78 -3.72 0.00 0.00 177.10 172.28 3iyl h ASP 723 N -1.05 1.02 0.16 -4.21 3.58 -1.96 0.24 116.42 114.20 3iyl h ASP 723 Ca -0.44 -0.42 -0.01 0.00 0.42 0.00 0.00 57.03 56.59 3iyl h ASP 723 Cb 1.23 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 42.00 3iyl h ASP 723 CO 0.51 1.22 -0.08 0.25 -2.88 0.00 0.00 179.24 178.27 3iyl h LEU 724 N 0.83 -0.18 -1.92 2.28 5.85 -2.00 -2.82 115.31 117.36 3iyl h LEU 724 Ca 0.09 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 3iyl h LEU 724 Cb 0.86 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.93 3iyl h LEU 724 CO 0.08 0.24 -0.09 0.71 -0.34 0.00 0.00 178.44 179.03 3iyl h THR 725 N -0.64 0.40 0.00 1.05 1.35 -1.94 -0.04 112.91 113.09 3iyl h THR 725 Ca -0.02 -0.51 -0.12 0.00 -0.55 0.00 0.00 66.41 65.21 3iyl h THR 725 Cb 0.47 1.36 -0.02 0.00 -1.73 0.00 0.00 68.15 68.24 3iyl h THR 725 CO 0.04 0.09 -0.58 -0.09 -0.25 0.00 0.00 175.52 174.72 3iyl h ARG 726 N 0.00 0.00 0.17 4.72 2.43 -0.47 -1.84 114.38 119.40 3iyl h ARG 726 Ca -0.00 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.87 3iyl h ARG 726 Cb 0.35 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3iyl h ARG 726 CO 0.01 0.58 -1.32 -0.09 -1.51 0.00 0.00 179.97 177.64 3iyl h ARG 727 N 0.00 0.45 0.00 0.20 2.43 -0.90 -2.93 114.38 113.63 3iyl h ARG 727 Ca -0.01 -0.72 -0.02 0.00 -0.81 0.00 0.00 59.98 58.43 3iyl h ARG 727 Cb 1.10 0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 30.91 3iyl h ARG 727 CO 0.08 1.33 -0.09 1.15 -1.51 0.00 0.00 179.97 180.93 3iyl h THR 728 N 0.15 0.61 -0.04 0.20 2.02 -0.90 0.29 112.91 115.25 3iyl h THR 728 Ca -0.19 -0.40 -0.11 0.00 0.77 0.00 0.00 66.41 66.48 3iyl h THR 728 Cb 2.02 1.25 0.01 0.00 -1.74 0.00 0.00 68.15 69.69 3iyl h THR 728 CO 0.24 0.09 -0.42 0.24 0.37 0.00 0.00 175.52 176.04 3iyl h MET 729 N 0.00 0.36 -0.14 6.66 2.86 -1.27 -1.95 114.93 121.44 3iyl h MET 729 Ca -0.00 -0.33 -0.05 0.00 -2.06 0.00 0.00 59.70 57.26 3iyl h MET 729 Cb 0.24 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 3iyl h MET 729 CO 0.01 0.99 -0.13 1.15 1.06 0.00 0.00 176.91 179.99 3iyl h THR 730 N -0.15 1.18 -0.44 2.22 2.02 -1.17 -1.33 112.91 115.23 3iyl h THR 730 Ca -0.04 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.35 3iyl h THR 730 Cb 1.10 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.71 3iyl h THR 730 CO 0.08 0.24 0.24 1.23 0.37 0.00 0.00 175.52 177.69 3iyl h GLY 731 N 0.74 0.66 0.47 2.16 0.00 -0.24 -2.14 103.07 104.71 3iyl h GLY 731 Ca 0.04 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 3iyl h GLY 731 CO 0.02 0.29 -0.28 -2.08 0.00 0.00 0.00 176.54 174.48 3iyl h VAL 732 N 0.58 1.54 0.00 4.60 2.07 -0.97 -2.85 116.25 121.22 3iyl h VAL 732 Ca 0.16 -1.99 -0.01 0.00 0.82 0.00 0.00 66.70 65.68 3iyl h VAL 732 Cb 0.05 2.79 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 3iyl h VAL 732 CO -0.02 0.55 -0.04 0.24 0.02 0.00 0.00 177.57 178.31 3iyl h MET 733 N -0.48 0.00 0.10 1.57 2.86 -1.30 -0.89 114.93 116.79 3iyl h MET 733 Ca -0.04 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.34 3iyl h MET 733 Cb 1.05 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 3iyl h MET 733 CO 0.06 0.04 -1.25 0.00 1.06 0.00 0.00 176.91 176.81 3iyl h THR 734 N 0.00 1.47 -0.01 2.22 1.03 -1.42 -2.71 112.91 113.49 3iyl h THR 734 Ca -0.00 -3.09 0.02 0.00 -0.01 0.00 0.00 66.41 63.33 3iyl h THR 734 Cb 0.12 2.88 -0.02 0.00 -1.07 0.00 0.00 68.15 70.06 3iyl h THR 734 CO 0.00 0.89 -0.10 0.00 -0.01 0.00 0.00 175.52 176.31 3iyl h ALA 735 N 0.66 -0.10 0.14 0.00 0.00 -0.93 0.02 119.26 119.05 3iyl h ALA 735 Ca -0.13 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3iyl h ALA 735 Cb 1.94 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.86 3iyl h ALA 735 CO 0.18 -0.59 -0.31 0.52 0.00 0.00 0.00 179.25 179.05 3iyl h MET 736 N -0.16 -0.53 -0.17 0.00 2.86 -1.46 0.31 114.93 115.78 3iyl h MET 736 Ca 0.04 0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.77 3iyl h MET 736 Cb 0.21 0.12 -0.07 0.00 0.06 0.00 0.00 31.60 31.93 3iyl h MET 736 CO -0.10 -0.35 -0.28 -0.09 1.06 0.00 0.00 176.91 177.14 3iyl h ARG 737 N -0.55 -0.32 0.00 1.72 2.43 -1.21 -2.28 114.38 114.18 3iyl h ARG 737 Ca 0.03 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3iyl h ARG 737 Cb 0.57 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3iyl h ARG 737 CO -0.17 -0.21 0.00 1.96 -1.51 0.00 0.00 179.97 180.04 3iyl h GLN 738 N -0.33 0.00 -6.48 0.20 4.20 -0.80 -3.46 115.11 108.44 3iyl h GLN 738 Ca 0.11 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.22 3iyl h GLN 738 Cb 0.50 0.00 0.10 0.00 0.30 0.00 0.00 27.48 28.39 3iyl h GLN 738 CO -0.36 0.00 0.19 0.28 -0.67 0.00 0.00 178.83 178.27 3iyl n VAL 739 N -2.59 1.81 -2.70 -0.54 0.31 0.11 -4.83 118.33 109.91 3iyl n VAL 739 Ca 0.03 -0.45 -0.43 0.00 -0.01 0.00 0.00 64.34 63.47 3iyl n VAL 739 Cb 0.36 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 3iyl n VAL 739 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3iyl n LYS 740 N 0.90 3.35 -2.98 5.55 3.00 -1.26 -4.98 118.16 121.73 3iyl n LYS 740 Ca 0.10 -3.61 -0.39 0.00 -0.00 0.00 0.00 58.31 54.41 3iyl n LYS 740 Cb 0.31 -3.13 -0.06 0.00 0.00 0.00 0.00 35.03 32.15 3iyl n LYS 740 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 3iyl s THR 741 N 2.02 4.45 -1.17 3.15 -1.32 -1.26 -4.78 115.64 116.73 3iyl s THR 741 Ca 0.45 1.68 0.15 0.00 -1.21 0.00 0.00 61.69 62.76 3iyl s THR 741 Cb 0.02 -4.13 0.44 0.00 -1.51 0.00 0.00 72.50 67.31 3iyl s THR 741 CO 0.01 0.49 1.37 0.80 -2.21 0.00 0.00 174.62 175.08 3iyl n MET 742 N 1.86 2.90 0.05 7.08 1.56 -1.05 -4.50 117.12 125.03 3iyl n MET 742 Ca -0.05 -2.32 -0.20 0.00 -0.27 0.00 0.00 57.70 54.86 3iyl n MET 742 Cb 0.49 -1.42 -0.14 0.00 2.15 0.00 0.00 33.22 34.29 3iyl n MET 742 CO 0.00 0.00 0.00 1.79 -0.73 0.00 0.00 175.97 177.03 3iyl h THR 743 N 2.75 1.48 -1.20 1.12 1.35 -1.81 -2.97 112.91 113.63 3iyl h THR 743 Ca 0.00 -2.49 0.35 0.00 -0.55 0.00 0.00 66.41 63.72 3iyl h THR 743 Cb 0.89 3.11 -0.09 0.00 -1.73 0.00 0.00 68.15 70.32 3iyl h THR 743 CO 0.03 0.71 0.80 -0.65 -0.25 0.00 0.00 175.52 176.16 3iyl h PRO 744 N -0.29 0.19 0.06 4.72 0.11 -1.80 1.07 132.00 136.06 3iyl h PRO 744 Ca -0.14 -0.01 -0.25 0.00 0.11 0.00 0.00 66.00 65.71 3iyl h PRO 744 Cb 1.65 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.72 3iyl h PRO 744 CO 0.16 0.13 -1.08 0.35 -0.21 0.00 0.00 178.00 177.35 3iyl h PHE 745 N 0.20 0.55 -0.30 0.65 3.04 -1.86 -3.24 116.94 115.98 3iyl h PHE 745 Ca 0.67 -0.34 -0.10 0.00 3.98 0.00 0.00 57.97 62.17 3iyl h PHE 745 Cb 2.09 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 40.55 3iyl h PHE 745 CO -0.00 1.20 -0.21 -0.92 -2.02 0.00 0.00 178.31 176.36 3iyl h TYR 746 N 0.15 0.79 0.00 0.41 3.20 0.11 -1.75 116.97 119.88 3iyl h TYR 746 Ca -0.10 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.55 3iyl h TYR 746 Cb 1.75 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.85 3iyl h TYR 746 CO 0.06 0.93 0.00 1.51 -1.64 0.00 0.00 178.16 179.02 3iyl n ILE 747 N -4.33 0.00 -0.35 1.81 3.06 0.13 0.14 119.36 119.83 3iyl n ILE 747 Ca -0.03 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.22 3iyl n ILE 747 Cb 0.42 -0.21 0.00 0.00 0.54 0.00 0.00 39.64 40.39 3iyl n ILE 747 CO 0.00 0.00 0.00 1.67 -2.50 0.00 0.00 176.55 175.72 3iyl n GLN 748 N -0.56 0.23 0.00 9.51 0.00 -1.11 -4.80 117.38 120.64 3iyl n GLN 748 Ca 0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 57.00 57.01 3iyl n GLN 748 Cb 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 30.24 30.04 3iyl n GLN 748 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3iyl n HIS 749 N -0.04 0.00 -0.05 3.69 8.25 -0.67 -2.05 115.22 124.35 3iyl n HIS 749 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 3iyl n HIS 749 Cb 0.09 0.08 -0.17 0.00 1.12 0.00 0.00 29.99 31.11 3iyl n HIS 749 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3iyl n MET 750 N -1.86 0.68 0.17 -0.41 2.81 -0.79 -3.96 117.12 113.75 3iyl n MET 750 Ca 0.00 -0.12 0.05 0.00 -1.81 0.00 0.00 57.70 55.82 3iyl n MET 750 Cb 0.10 -1.52 0.22 0.00 -0.71 0.00 0.00 33.22 31.31 3iyl n MET 750 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3iyl h PRO 752 N 0.00 0.81 0.00 0.00 0.11 -1.80 -2.87 132.00 128.25 3iyl h PRO 752 Ca -0.00 -0.54 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3iyl h PRO 752 Cb 1.09 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3iyl h PRO 752 CO 0.05 1.17 0.00 -2.37 -0.21 0.00 0.00 178.00 176.64 3iyl n THR 753 N -4.05 1.09 -0.07 -1.15 5.66 -1.21 -0.66 114.28 113.89 3iyl n THR 753 Ca -0.05 0.50 -0.07 0.00 -3.05 0.00 0.00 64.05 61.38 3iyl n THR 753 Cb 0.63 -1.45 -0.03 0.00 -1.55 0.00 0.00 70.33 67.93 3iyl n THR 753 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 3iyl h GLU 754 N 0.00 0.00 -0.78 1.09 5.08 -1.54 -3.28 114.58 115.14 3iyl h GLU 754 Ca 0.00 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 3iyl h GLU 754 Cb 0.14 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.31 3iyl h GLU 754 CO 0.00 0.18 0.40 -0.07 -1.00 0.00 0.00 179.01 178.52 3iyl h LEU 755 N -1.00 0.51 -0.78 1.33 3.38 -1.29 1.34 115.31 118.79 3iyl h LEU 755 Ca -0.05 0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.11 3iyl h LEU 755 Cb 0.55 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.20 3iyl h LEU 755 CO -0.03 0.26 0.39 0.77 0.09 0.00 0.00 178.44 179.92 3iyl h SER 756 N 0.63 0.47 0.01 -0.43 4.64 -1.07 0.60 113.55 118.41 3iyl h SER 756 Ca 0.40 0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3iyl h SER 756 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3iyl h SER 756 CO -0.30 0.23 -0.00 0.58 -0.87 0.00 0.00 176.83 176.46 3iyl h VAL 757 N 0.60 0.00 -0.75 0.95 2.07 -1.20 -3.23 116.25 114.70 3iyl h VAL 757 Ca 0.41 -0.67 0.22 0.00 0.82 0.00 0.00 66.70 67.48 3iyl h VAL 757 Cb 0.52 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 3iyl h VAL 757 CO -0.33 0.00 0.88 -0.07 0.02 0.00 0.00 177.57 178.08 3iyl h LEU 758 N -0.68 0.00 -0.24 2.57 -0.00 0.18 1.04 115.31 118.18 3iyl h LEU 758 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3iyl h LEU 758 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 3iyl h LEU 758 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.44 3iyl n ALA 759 N -2.27 2.56 -0.01 1.53 0.00 0.21 -3.54 120.51 119.00 3iyl n ALA 759 Ca 0.16 -0.18 -0.00 0.00 0.00 0.00 0.00 53.44 53.42 3iyl n ALA 759 Cb 1.13 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 19.39 3iyl n ALA 759 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3iyl n SER 760 N -0.48 4.62 -1.74 0.00 2.88 0.36 -4.61 113.62 114.66 3iyl n SER 760 Ca 0.11 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.55 3iyl n SER 760 Cb 0.10 0.68 0.18 0.00 -0.75 0.00 0.00 64.21 64.42 3iyl n SER 760 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3iyl n VAL 761 N -1.92 2.35 -4.71 2.46 0.24 -1.17 -4.73 118.33 110.85 3iyl n VAL 761 Ca -0.02 -1.22 -0.33 0.00 -2.04 0.00 0.00 64.34 60.73 3iyl n VAL 761 Cb 0.41 -0.54 -0.15 0.00 -1.47 0.00 0.00 33.84 32.09 3iyl n VAL 761 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3iyl s THR 762 N -2.28 2.61 0.14 3.34 -4.23 -1.26 -4.69 115.64 109.27 3iyl s THR 762 Ca 0.39 -0.80 0.18 0.00 -1.18 0.00 0.00 61.69 60.28 3iyl s THR 762 Cb 0.32 -2.08 0.18 0.00 1.34 0.00 0.00 72.50 72.26 3iyl s THR 762 CO 0.09 0.53 1.48 0.58 -0.54 0.00 0.00 174.62 176.75 3iyl h VAL 763 N 5.62 0.00 -3.30 2.29 2.07 -1.90 -3.30 116.25 117.73 3iyl h VAL 763 Ca -0.29 0.00 -0.58 0.00 0.82 0.00 0.00 66.70 66.65 3iyl h VAL 763 Cb 1.20 0.39 -0.40 0.00 -1.52 0.00 0.00 31.29 30.97 3iyl h VAL 763 CO 0.55 0.00 -0.76 0.28 0.02 0.00 0.00 177.57 177.66 3iyl s THR 764 N -3.52 1.01 0.90 2.57 -1.32 -1.26 -4.52 115.64 109.50 3iyl s THR 764 Ca -0.02 -1.25 -0.12 0.00 -1.21 0.00 0.00 61.69 59.09 3iyl s THR 764 Cb 0.05 -1.62 0.07 0.00 -1.51 0.00 0.00 72.50 69.49 3iyl s THR 764 CO 0.16 -0.47 0.75 -0.81 -2.21 0.00 0.00 174.62 172.05 3iyl n PRO 765 N 4.82 -0.23 -2.46 7.08 -0.04 -1.25 -4.93 135.00 138.00 3iyl n PRO 765 Ca -0.05 -0.01 -0.43 0.00 -0.04 0.00 0.00 63.50 62.97 3iyl n PRO 765 Cb 0.43 -2.09 -0.02 0.00 -0.04 0.00 0.00 33.50 31.78 3iyl n PRO 765 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3iyl s PRO 766 N -3.94 4.24 -0.13 0.54 0.04 -1.26 -5.02 135.00 129.47 3iyl s PRO 766 Ca 0.63 1.61 -0.23 0.00 0.04 0.00 0.00 61.00 63.05 3iyl s PRO 766 Cb -0.24 -3.74 -0.03 0.00 0.04 0.00 0.00 34.50 30.53 3iyl s PRO 766 CO 0.61 -0.69 0.71 0.12 0.04 0.00 0.00 177.00 177.79 3iyl s PHE 767 N 3.45 3.47 -0.25 0.56 5.36 -1.25 -4.84 117.98 124.48 3iyl s PHE 767 Ca 0.53 1.15 -0.02 0.00 -0.96 0.00 0.00 56.93 57.63 3iyl s PHE 767 Cb -0.21 -2.85 0.13 0.00 -0.34 0.00 0.00 43.02 39.75 3iyl s PHE 767 CO 0.13 -0.07 0.34 -1.14 -1.46 0.00 0.00 175.22 173.02 3iyl s GLN 768 N 1.48 0.33 0.28 10.12 0.74 -1.26 -3.78 119.66 127.57 3iyl s GLN 768 Ca 0.35 0.30 -0.28 0.00 0.05 0.00 0.00 55.36 55.78 3iyl s GLN 768 Cb -0.17 -0.61 -0.09 0.00 1.10 0.00 0.00 33.01 33.24 3iyl s GLN 768 CO 0.14 -0.77 0.96 0.14 -0.55 0.00 0.00 175.29 175.21 3iyl s VAL 769 N 2.48 4.07 0.34 1.34 -7.23 0.20 -4.05 120.40 117.55 3iyl s VAL 769 Ca 0.11 1.93 -0.26 0.00 -1.81 0.00 0.00 61.98 61.94 3iyl s VAL 769 Cb -0.15 -4.16 -0.13 0.00 0.56 0.00 0.00 36.38 32.50 3iyl s VAL 769 CO -0.20 0.34 0.81 -0.81 -0.31 0.00 0.00 175.10 174.93 3iyl n PRO 770 N 1.06 0.95 -2.73 4.82 -0.04 -1.26 -4.80 135.00 133.00 3iyl n PRO 770 Ca -0.00 0.34 -0.31 0.00 -0.04 0.00 0.00 63.50 63.49 3iyl n PRO 770 Cb 0.48 -1.67 -0.03 0.00 -0.04 0.00 0.00 33.50 32.24 3iyl n PRO 770 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3iyl s PHE 771 N -1.21 3.46 -0.18 0.54 0.08 -1.26 -4.86 117.98 114.56 3iyl s PHE 771 Ca 0.61 1.18 -0.06 0.00 0.12 0.00 0.00 56.93 58.79 3iyl s PHE 771 Cb -0.68 -2.55 0.08 0.00 -0.57 0.00 0.00 43.02 39.31 3iyl s PHE 771 CO 0.58 -0.18 0.35 0.99 -0.10 0.00 0.00 175.22 176.86 3iyl s THR 772 N -2.44 -0.54 -0.48 0.64 2.01 -1.26 -5.00 115.64 108.57 3iyl s THR 772 Ca 0.54 0.18 -0.11 0.00 0.31 0.00 0.00 61.69 62.61 3iyl s THR 772 Cb -0.10 -0.59 0.11 0.00 0.01 0.00 0.00 72.50 71.93 3iyl s THR 772 CO 0.31 0.06 0.38 0.00 -0.69 0.00 0.00 174.62 174.68 3iyl s ARG 773 N 2.52 2.66 0.00 4.92 1.70 -1.26 -4.66 118.95 124.84 3iyl s ARG 773 Ca 0.01 -1.68 0.00 0.00 -0.47 0.00 0.00 55.73 53.59 3iyl s ARG 773 Cb -0.12 -4.02 0.00 0.00 -0.57 0.00 0.00 34.95 30.24 3iyl s ARG 773 CO -0.11 -1.19 0.00 1.28 -1.08 0.00 0.00 175.30 174.20 3iyl n LEU 774 N 5.02 0.22 0.00 -1.89 4.32 -1.26 -4.85 117.00 118.56 3iyl n LEU 774 Ca -0.10 0.00 0.01 0.00 -0.02 0.00 0.00 56.01 55.90 3iyl n LEU 774 Cb 0.41 -0.42 0.07 0.00 -1.62 0.00 0.00 43.42 41.86 3iyl n LEU 774 CO 0.46 -0.11 0.22 0.52 -1.22 0.00 0.00 177.39 177.26 3iyl n VAL 775 N -2.00 0.00 0.00 4.08 0.31 -1.26 -4.87 118.33 114.58 3iyl n VAL 775 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3iyl n VAL 775 Cb 0.00 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 3iyl n VAL 775 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3iyl n GLN 776 N -0.64 0.00 -1.17 5.55 7.27 -1.26 -4.27 117.38 122.86 3iyl n GLN 776 Ca 0.02 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.03 3iyl n GLN 776 Cb 0.01 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.62 3iyl n GLN 776 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 3iyl n ASN 777 N 2.61 -0.83 0.00 1.69 0.23 -1.26 0.35 115.26 118.04 3iyl n ASN 777 Ca 0.00 -1.73 0.00 0.00 -0.53 0.00 0.00 54.58 52.32 3iyl n ASN 777 Cb 0.00 -0.92 0.00 0.00 -2.08 0.00 0.00 39.78 36.78 3iyl n ASN 777 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3iyl n ASP 778 N 9.46 0.00 -4.57 0.53 5.75 -1.26 -3.65 116.55 122.81 3iyl n ASP 778 Ca 0.14 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.51 3iyl n ASP 778 Cb 0.48 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.54 3iyl n ASP 778 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3iyl s VAL 779 N 0.00 3.62 -0.40 2.12 0.11 0.15 -4.57 120.40 121.45 3iyl s VAL 779 Ca 0.00 0.52 -0.35 0.00 -2.93 0.00 0.00 61.98 59.22 3iyl s VAL 779 Cb 0.00 -4.16 -0.15 0.00 -1.53 0.00 0.00 36.38 30.54 3iyl s VAL 779 CO 0.00 -0.95 1.65 -0.38 -3.33 0.00 0.00 175.10 172.09 3iyl n ILE 780 N 7.06 0.00 -0.07 7.04 5.41 -1.26 -3.23 119.36 134.30 3iyl n ILE 780 Ca 0.16 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.78 3iyl n ILE 780 Cb 0.49 -0.40 -0.10 0.00 -0.71 0.00 0.00 39.64 38.92 3iyl n ILE 780 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 3iyl h THR 781 N 5.37 1.28 -3.99 1.39 1.35 -1.18 -3.45 112.91 113.68 3iyl h THR 781 Ca -0.11 -2.07 -0.46 0.00 -0.55 0.00 0.00 66.41 63.22 3iyl h THR 781 Cb 1.12 2.53 -0.23 0.00 -1.73 0.00 0.00 68.15 69.84 3iyl h THR 781 CO 0.86 0.43 -0.80 0.20 -0.25 0.00 0.00 175.52 175.96 3iyl s ASN 782 N -6.25 1.89 -0.07 5.36 -0.87 -1.20 -3.56 114.94 110.25 3iyl s ASN 782 Ca -0.18 -0.57 0.05 0.00 -1.57 0.00 0.00 52.86 50.59 3iyl s ASN 782 Cb -0.00 -0.10 -0.00 0.00 -0.02 0.00 0.00 41.25 41.13 3iyl s ASN 782 CO 0.55 0.00 -0.22 -0.69 -2.57 0.00 0.00 177.10 174.18 3iyl s VAL 783 N -1.07 1.83 -0.06 1.60 1.01 -1.26 -0.91 120.40 121.54 3iyl s VAL 783 Ca 0.01 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 60.91 3iyl s VAL 783 Cb -0.09 -1.57 0.04 0.00 0.00 0.00 0.00 36.38 34.76 3iyl s VAL 783 CO 0.02 0.51 0.40 -0.76 0.00 0.00 0.00 175.10 175.28 3iyl s LEU 784 N 0.15 0.47 -0.09 3.92 1.02 -0.36 -4.69 118.68 119.10 3iyl s LEU 784 Ca -0.10 0.41 -0.09 0.00 0.02 0.00 0.00 54.13 54.36 3iyl s LEU 784 Cb -0.15 1.53 -0.05 0.00 0.02 0.00 0.00 46.19 47.55 3iyl s LEU 784 CO 0.05 -0.39 0.22 -0.69 0.02 0.00 0.00 176.35 175.56 3iyl s VAL 785 N -0.87 5.36 -0.11 -1.59 1.01 -1.26 -0.97 120.40 121.97 3iyl s VAL 785 Ca -0.09 0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.31 3iyl s VAL 785 Cb -0.04 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.86 3iyl s VAL 785 CO 0.04 0.60 -0.18 0.00 0.00 0.00 0.00 175.10 175.57 3iyl s ALA 786 N -1.01 1.88 -1.27 5.51 0.00 0.16 -4.47 121.76 122.55 3iyl s ALA 786 Ca 0.18 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.30 3iyl s ALA 786 Cb -0.13 -0.86 0.01 0.00 0.00 0.00 0.00 23.12 22.14 3iyl s ALA 786 CO 0.07 -0.01 0.66 0.54 0.00 0.00 0.00 175.76 177.01 3iyl n ARG 787 N 4.07 1.06 0.00 0.00 1.74 -1.26 -2.09 116.66 120.18 3iyl n ARG 787 Ca -0.20 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 56.83 3iyl n ARG 787 Cb 0.52 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 3iyl n ARG 787 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3iyl n VAL 788 N -0.12 0.00 -1.63 1.55 3.14 -1.25 -1.81 118.33 118.21 3iyl n VAL 788 Ca 0.00 0.00 -0.48 0.00 -2.96 0.00 0.00 64.34 60.91 3iyl n VAL 788 Cb 0.20 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.93 3iyl n VAL 788 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 3iyl n ASP 789 N 0.00 2.38 -0.34 6.55 5.75 -1.26 -4.73 116.55 124.90 3iyl n ASP 789 Ca 0.00 1.11 0.12 0.00 -0.01 0.00 0.00 54.79 56.01 3iyl n ASP 789 Cb 0.00 -1.33 0.25 0.00 -1.03 0.00 0.00 41.12 39.01 3iyl n ASP 789 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 3iyl h PRO 790 N 4.84 0.02 0.00 0.11 0.11 -1.98 -2.04 132.00 133.05 3iyl h PRO 790 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3iyl h PRO 790 Cb 1.29 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3iyl h PRO 790 CO 0.80 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.61 3iyl n ALA 791 N -3.20 -0.00 0.70 -0.75 0.00 -1.26 -1.06 120.51 114.93 3iyl n ALA 791 Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.67 3iyl n ALA 791 Cb 0.68 0.26 0.15 0.00 0.00 0.00 0.00 19.45 20.54 3iyl n ALA 791 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3iyl n GLN 792 N -1.09 0.35 -2.64 0.00 6.02 -0.97 -4.70 117.38 114.35 3iyl n GLN 792 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 3iyl n GLN 792 Cb 0.00 -1.22 -0.03 0.00 1.02 0.00 0.00 30.24 30.01 3iyl n GLN 792 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3iyl s ARG 793 N -2.00 3.40 0.50 -1.09 3.52 -0.22 -4.97 118.95 118.09 3iyl s ARG 793 Ca 0.07 -0.88 -0.21 0.00 -0.13 0.00 0.00 55.73 54.58 3iyl s ARG 793 Cb 0.03 -4.78 -0.07 0.00 -1.56 0.00 0.00 34.95 28.57 3iyl s ARG 793 CO 0.06 -2.09 1.12 0.20 -0.81 0.00 0.00 175.30 173.78 3iyl s GLY 794 N 4.25 2.66 -0.72 8.12 0.00 -1.26 -3.84 107.32 116.53 3iyl s GLY 794 Ca 0.38 0.82 -0.01 0.00 0.00 0.00 0.00 44.72 45.91 3iyl s GLY 794 CO 0.01 1.20 0.67 1.22 0.00 0.00 0.00 173.10 176.20 3iyl n ASP 795 N -0.94 -7.11 -4.68 1.64 8.00 -1.26 -4.80 116.55 107.41 3iyl n ASP 795 Ca 0.10 -0.16 -0.62 0.00 0.71 0.00 0.00 54.79 54.82 3iyl n ASP 795 Cb 0.50 -4.90 -0.08 0.00 -0.02 0.00 0.00 41.12 36.61 3iyl n ASP 795 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iyl n ALA 796 N -1.93 -1.39 -3.55 2.24 0.00 -1.25 -4.93 120.51 109.71 3iyl n ALA 796 Ca -0.01 0.49 -0.26 0.00 0.00 0.00 0.00 53.44 53.66 3iyl n ALA 796 Cb 0.52 -1.99 -0.15 0.00 0.00 0.00 0.00 19.45 17.82 3iyl n ALA 796 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iyl s ALA 797 N 2.38 0.38 1.01 0.00 0.00 -1.26 -5.15 121.76 119.13 3iyl s ALA 797 Ca 0.99 -0.65 -0.12 0.00 0.00 0.00 0.00 51.96 52.18 3iyl s ALA 797 Cb -1.29 -1.30 0.20 0.00 0.00 0.00 0.00 23.12 20.73 3iyl s ALA 797 CO 0.70 -1.46 1.08 0.08 0.00 0.00 0.00 175.76 176.15 3iyl s VAL 798 N 2.16 2.19 -0.19 0.00 1.01 -1.26 -4.96 120.40 119.35 3iyl s VAL 798 Ca 0.07 0.06 -0.28 0.00 0.00 0.00 0.00 61.98 61.82 3iyl s VAL 798 Cb -0.16 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.79 3iyl s VAL 798 CO -0.25 -0.08 0.99 -0.62 0.00 0.00 0.00 175.10 175.13 3iyl s ASP 799 N -3.19 7.10 0.35 3.32 -1.08 -1.26 -4.91 116.67 117.00 3iyl s ASP 799 Ca 0.66 1.37 0.25 0.00 -0.52 0.00 0.00 52.55 54.31 3iyl s ASP 799 Cb -0.20 -2.53 1.19 0.00 -1.46 0.00 0.00 42.92 39.93 3iyl s ASP 799 CO 0.59 -0.56 1.27 0.00 0.52 0.00 0.00 175.17 176.99 3iyl n ILE 800 N 5.01 -0.22 -0.40 4.11 0.13 -1.26 -0.63 119.36 126.10 3iyl n ILE 800 Ca 0.10 1.49 0.33 0.00 -1.10 0.00 0.00 62.75 63.56 3iyl n ILE 800 Cb 0.47 -2.43 0.60 0.00 -0.84 0.00 0.00 39.64 37.44 3iyl n ILE 800 CO 0.00 0.00 0.00 0.03 2.80 0.00 0.00 176.55 179.38 3iyl h ARG 801 N 0.00 0.14 -1.13 9.51 3.08 -1.91 -0.54 114.38 123.53 3iyl h ARG 801 Ca 0.71 -0.01 0.33 0.00 0.07 0.00 0.00 59.98 61.08 3iyl h ARG 801 Cb 2.24 -0.03 -0.11 0.00 0.08 0.00 0.00 29.97 32.15 3iyl h ARG 801 CO -0.41 0.09 0.73 0.00 -1.07 0.00 0.00 179.97 179.31 3iyl h ALA 802 N 1.70 2.40 -0.96 0.04 0.00 -1.15 -1.85 119.26 119.44 3iyl h ALA 802 Ca 0.79 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.89 3iyl h ALA 802 Cb 2.28 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 20.09 3iyl h ALA 802 CO -0.49 -0.89 0.61 1.15 0.00 0.00 0.00 179.25 179.63 3iyl h THR 803 N 0.28 0.94 -3.90 0.00 2.02 -1.33 -3.43 112.91 107.50 3iyl h THR 803 Ca 0.68 -0.33 -0.52 0.00 0.77 0.00 0.00 66.41 67.01 3iyl h THR 803 Cb 1.88 -0.09 0.06 0.00 -1.74 0.00 0.00 68.15 68.26 3iyl h THR 803 CO -0.35 0.17 0.58 -1.00 0.37 0.00 0.00 175.52 175.29 3iyl s HIS 804 N -5.89 3.07 0.00 3.16 3.76 -0.70 -4.98 115.29 113.72 3iyl s HIS 804 Ca -0.11 1.49 0.00 0.00 -0.15 0.00 0.00 55.06 56.28 3iyl s HIS 804 Cb 0.22 -3.56 0.00 0.00 1.11 0.00 0.00 32.58 30.35 3iyl s HIS 804 CO 0.80 -1.60 0.92 0.00 -0.85 0.00 0.00 174.74 174.01 3iyl n ALA 805 N 0.54 -0.32 -1.78 -1.40 0.00 -1.26 -4.60 120.51 111.69 3iyl n ALA 805 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.10 3iyl n ALA 805 Cb 0.44 0.11 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 3iyl n ALA 805 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3iyl s THR 806 N -2.70 3.43 0.57 0.00 -4.23 -1.26 -4.93 115.64 106.52 3iyl s THR 806 Ca 0.00 0.98 0.26 0.00 -1.18 0.00 0.00 61.69 61.75 3iyl s THR 806 Cb 0.00 -3.45 0.34 0.00 1.34 0.00 0.00 72.50 70.73 3iyl s THR 806 CO 0.00 -0.11 2.16 2.19 -0.54 0.00 0.00 174.62 178.33 3iyl h PHE 807 N 1.80 0.00 -3.36 3.99 -5.15 -1.81 -3.43 116.94 108.98 3iyl h PHE 807 Ca -0.49 0.00 -0.66 0.00 -0.20 0.00 0.00 57.97 56.61 3iyl h PHE 807 Cb 1.24 0.00 -0.19 0.00 0.22 0.00 0.00 35.95 37.21 3iyl h PHE 807 CO 0.55 0.00 -0.83 0.00 -2.00 0.00 0.00 178.31 176.02 3iyl s ALA 808 N -4.76 2.50 -0.98 12.09 0.00 -1.26 -4.39 121.76 124.94 3iyl s ALA 808 Ca -0.05 -1.60 -0.30 0.00 0.00 0.00 0.00 51.96 50.01 3iyl s ALA 808 Cb 0.16 -0.34 -0.22 0.00 0.00 0.00 0.00 23.12 22.72 3iyl s ALA 808 CO 0.59 0.45 2.66 0.00 0.00 0.00 0.00 175.76 179.47 3iyl n ALA 809 N 0.42 0.35 -1.59 0.00 0.00 -1.16 -3.85 120.51 114.68 3iyl n ALA 809 Ca -0.14 -0.33 -0.21 0.00 0.00 0.00 0.00 53.44 52.76 3iyl n ALA 809 Cb 0.55 -2.31 -0.06 0.00 0.00 0.00 0.00 19.45 17.64 3iyl n ALA 809 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iyl s ALA 810 N 8.64 1.02 -0.36 0.00 0.00 -1.26 -3.09 121.76 126.70 3iyl s ALA 810 Ca 1.35 -0.57 -0.22 0.00 0.00 0.00 0.00 51.96 52.51 3iyl s ALA 810 Cb -1.20 -4.50 0.01 0.00 0.00 0.00 0.00 23.12 17.42 3iyl s ALA 810 CO 0.49 -5.42 0.75 -1.17 0.00 0.00 0.00 175.76 170.40 3iyl s LEU 811 N 13.82 4.16 -0.01 0.00 2.96 -0.52 -4.87 118.68 134.22 3iyl s LEU 811 Ca 0.93 0.30 -0.30 0.00 -0.22 0.00 0.00 54.13 54.84 3iyl s LEU 811 Cb -0.14 -2.97 -0.06 0.00 0.50 0.00 0.00 46.19 43.53 3iyl s LEU 811 CO 0.13 -0.70 1.46 -2.84 -1.32 0.00 0.00 176.35 173.08 3iyl s PRO 812 N 3.00 4.25 -0.08 0.98 0.02 -1.26 -2.08 135.00 139.83 3iyl s PRO 812 Ca 0.30 2.02 0.03 0.00 0.02 0.00 0.00 61.00 63.37 3iyl s PRO 812 Cb -0.13 -3.65 -0.02 0.00 0.02 0.00 0.00 34.50 30.71 3iyl s PRO 812 CO 0.16 -0.65 -0.16 0.54 -0.33 0.00 0.00 177.00 176.56 3iyl s VAL 813 N 2.76 2.84 -0.18 3.83 0.11 -0.38 -4.81 120.40 124.57 3iyl s VAL 813 Ca 0.66 -0.78 -0.25 0.00 -2.93 0.00 0.00 61.98 58.67 3iyl s VAL 813 Cb -0.32 -2.12 -0.01 0.00 -1.53 0.00 0.00 36.38 32.40 3iyl s VAL 813 CO 0.27 0.57 0.84 -0.62 -3.33 0.00 0.00 175.10 172.83 3iyl s ASP 814 N -0.26 6.95 0.08 3.54 2.15 -1.26 -1.52 116.67 126.35 3iyl s ASP 814 Ca 0.01 1.17 -0.25 0.00 0.43 0.00 0.00 52.55 53.91 3iyl s ASP 814 Cb -0.13 -2.46 -0.16 0.00 -0.30 0.00 0.00 42.92 39.87 3iyl s ASP 814 CO 0.03 -0.43 1.69 1.55 -0.17 0.00 0.00 175.17 177.84 3iyl h PRO 815 N 7.39 -0.18 -1.26 4.34 0.13 -1.91 -2.68 132.00 137.84 3iyl h PRO 815 Ca -0.28 0.01 0.44 0.00 -0.87 0.00 0.00 66.00 65.30 3iyl h PRO 815 Cb 1.12 0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.15 3iyl h PRO 815 CO 0.85 -0.09 0.79 0.00 -0.23 0.00 0.00 178.00 179.31 3iyl h ALA 816 N 0.65 2.61 0.09 -0.56 0.00 -1.93 -0.90 119.26 119.21 3iyl h ALA 816 Ca -0.02 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3iyl h ALA 816 Cb 0.16 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3iyl h ALA 816 CO 0.03 -1.28 -0.04 0.00 0.00 0.00 0.00 179.25 177.96 3iyl h ALA 817 N 1.69 -0.11 -0.91 0.00 0.00 -1.89 -3.32 119.26 114.71 3iyl h ALA 817 Ca 0.84 -0.07 0.24 0.00 0.00 0.00 0.00 54.91 55.92 3iyl h ALA 817 Cb 2.53 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 20.23 3iyl h ALA 817 CO -0.51 -0.11 0.36 0.82 0.00 0.00 0.00 179.25 179.80 3iyl h ILE 818 N -1.02 0.37 -0.76 0.00 2.04 -1.02 -0.54 117.51 116.59 3iyl h ILE 818 Ca -0.01 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 65.78 3iyl h ILE 818 Cb 0.19 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.26 3iyl h ILE 818 CO 0.02 0.06 0.48 1.62 0.00 0.00 0.00 178.15 180.32 3iyl h VAL 819 N 0.30 1.09 0.89 1.67 3.04 -1.35 0.35 116.25 122.24 3iyl h VAL 819 Ca 0.59 -0.32 -0.04 0.00 -1.01 0.00 0.00 66.70 65.92 3iyl h VAL 819 Cb 1.20 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 3iyl h VAL 819 CO -0.60 0.17 -0.48 0.58 -1.01 0.00 0.00 177.57 176.23 3iyl h VAL 820 N 0.92 0.00 -0.85 1.51 2.07 -1.20 0.14 116.25 118.84 3iyl h VAL 820 Ca 0.31 0.00 0.21 0.00 0.82 0.00 0.00 66.70 68.04 3iyl h VAL 820 Cb 0.04 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.68 3iyl h VAL 820 CO -0.12 0.00 0.23 0.00 0.02 0.00 0.00 177.57 177.70 3iyl h ALA 821 N -1.29 1.20 0.00 1.67 0.00 -1.24 0.41 119.26 120.01 3iyl h ALA 821 Ca -0.12 0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3iyl h ALA 821 Cb 0.99 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3iyl h ALA 821 CO 0.16 -0.42 -0.28 0.52 0.00 0.00 0.00 179.25 179.24 3iyl h MET 822 N 0.25 0.00 -0.99 0.00 2.86 -0.60 -3.16 114.93 113.29 3iyl h MET 822 Ca 0.52 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.67 3iyl h MET 822 Cb 1.00 0.00 -0.29 0.00 0.06 0.00 0.00 31.60 32.37 3iyl h MET 822 CO -0.61 0.28 0.62 1.28 1.06 0.00 0.00 176.91 179.54 3iyl n LEU 823 N -3.98 6.54 -2.66 1.22 4.77 0.14 -4.57 117.00 118.46 3iyl n LEU 823 Ca -0.02 -3.49 -0.04 0.00 -0.03 0.00 0.00 56.01 52.44 3iyl n LEU 823 Cb 0.35 -0.82 0.05 0.00 -2.33 0.00 0.00 43.42 40.67 3iyl n LEU 823 CO 0.36 1.02 0.55 0.00 -1.33 0.00 0.00 177.39 177.98 3iyl n GLY 825 N 2.22 3.56 3.80 0.00 0.00 -1.26 -1.25 105.19 112.26 3iyl n GLY 825 Ca 0.08 -2.10 -0.36 0.00 0.00 0.00 0.00 46.02 43.64 3iyl n GLY 825 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3iyl s GLN 826 N -1.39 4.44 0.21 1.61 0.00 -1.20 -2.51 119.66 120.82 3iyl s GLN 826 Ca 0.34 1.22 0.04 0.00 -0.00 0.00 0.00 55.36 56.95 3iyl s GLN 826 Cb 0.09 -2.62 -0.03 0.00 0.00 0.00 0.00 33.01 30.45 3iyl s GLN 826 CO -0.11 0.20 0.35 0.95 0.00 0.00 0.00 175.29 176.67 3iyl s THR 827 N -1.78 5.27 0.06 3.63 -4.23 -1.26 -3.12 115.64 114.21 3iyl s THR 827 Ca 0.53 -0.84 -0.36 0.00 -1.18 0.00 0.00 61.69 59.84 3iyl s THR 827 Cb -0.15 -3.82 -0.15 0.00 1.34 0.00 0.00 72.50 69.72 3iyl s THR 827 CO 0.20 -0.26 1.53 1.21 -0.54 0.00 0.00 174.62 176.77 3iyl n GLU 828 N -1.12 1.67 0.00 3.99 2.13 -1.26 -4.89 120.64 121.16 3iyl n GLU 828 Ca -0.08 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.35 3iyl n GLU 828 Cb 0.56 -2.33 0.00 0.00 0.27 0.00 0.00 31.44 29.94 3iyl n GLU 828 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 3iyl n THR 829 N 3.37 0.00 -2.39 6.31 5.66 -1.26 -3.89 114.28 122.08 3iyl n THR 829 Ca 0.19 0.68 -0.43 0.00 -3.05 0.00 0.00 64.05 61.44 3iyl n THR 829 Cb 0.24 -0.97 -0.02 0.00 -1.55 0.00 0.00 70.33 68.02 3iyl n THR 829 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 3iyl s ASN 830 N -2.16 6.96 -0.30 1.09 -0.87 -1.26 -4.98 114.94 113.42 3iyl s ASN 830 Ca 0.00 1.80 0.03 0.00 -1.57 0.00 0.00 52.86 53.12 3iyl s ASN 830 Cb 0.00 -2.55 0.16 0.00 -0.02 0.00 0.00 41.25 38.85 3iyl s ASN 830 CO 0.00 -0.71 0.43 -0.22 -2.57 0.00 0.00 177.10 174.03 3iyl s LEU 831 N 2.99 -0.83 -0.64 0.60 2.96 -1.25 -5.07 118.68 117.45 3iyl s LEU 831 Ca 0.57 -0.42 -0.17 0.00 -0.22 0.00 0.00 54.13 53.88 3iyl s LEU 831 Cb -0.24 1.17 0.13 0.00 0.50 0.00 0.00 46.19 47.75 3iyl s LEU 831 CO 0.19 -0.34 0.68 -0.63 -1.32 0.00 0.00 176.35 174.93 3iyl s ILE 832 N 2.48 5.06 0.33 6.68 1.01 -1.26 -4.92 121.20 130.58 3iyl s ILE 832 Ca 0.10 -1.42 0.14 0.00 0.00 0.00 0.00 60.65 59.47 3iyl s ILE 832 Cb -0.12 -4.46 0.35 0.00 0.01 0.00 0.00 42.46 38.24 3iyl s ILE 832 CO -0.28 -1.06 1.48 -2.65 0.00 0.00 0.00 174.94 172.43 3iyl n PRO 833 N 5.65 -0.06 0.14 2.79 -0.02 -1.26 -0.90 135.00 141.33 3iyl n PRO 833 Ca -0.05 1.34 -0.13 0.00 -2.02 0.00 0.00 63.50 62.64 3iyl n PRO 833 Cb 0.43 -2.30 -0.08 0.00 -0.02 0.00 0.00 33.50 31.53 3iyl n PRO 833 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3iyl h SER 834 N 0.00 -1.18 -0.87 2.55 0.87 -1.91 -1.89 113.55 111.12 3iyl h SER 834 Ca 0.72 0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 61.37 3iyl h SER 834 Cb 1.80 0.42 -0.04 0.00 -0.44 0.00 0.00 62.40 64.14 3iyl h SER 834 CO -0.78 -0.46 0.46 0.45 -0.53 0.00 0.00 176.83 175.96 3iyl h HIS 835 N -0.65 1.23 0.09 2.24 3.86 -1.40 -2.29 115.15 118.23 3iyl h HIS 835 Ca -0.02 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3iyl h HIS 835 Cb 0.62 -0.39 0.00 0.00 1.06 0.00 0.00 27.41 28.70 3iyl h HIS 835 CO -0.35 0.86 -0.05 1.25 0.86 0.00 0.00 177.93 180.51 3iyl h HIS 836 N 1.23 -0.12 -0.92 2.45 6.17 -1.13 -1.53 115.15 121.31 3iyl h HIS 836 Ca 0.31 -0.00 0.24 0.00 0.71 0.00 0.00 60.37 61.62 3iyl h HIS 836 Cb 0.07 0.04 -0.06 0.00 2.52 0.00 0.00 27.41 29.98 3iyl h HIS 836 CO 0.01 -0.07 0.63 1.88 0.71 0.00 0.00 177.93 181.09 3iyl h TYR 837 N -0.13 0.31 0.75 5.26 0.99 -1.44 -1.59 116.97 121.11 3iyl h TYR 837 Ca -0.01 0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.69 3iyl h TYR 837 Cb 0.10 -0.09 0.01 0.00 1.00 0.00 0.00 36.73 37.74 3iyl h TYR 837 CO 0.19 0.07 -0.37 0.78 -0.00 0.00 0.00 178.16 178.83 3iyl h GLY 838 N 0.22 -1.09 0.36 3.88 0.00 -1.29 -1.40 103.07 103.75 3iyl h GLY 838 Ca 0.47 0.41 0.17 0.00 0.00 0.00 0.00 47.33 48.38 3iyl h GLY 838 CO -0.12 -0.39 0.60 0.50 0.00 0.00 0.00 176.54 177.13 3iyl h LYS 839 N -1.03 0.67 0.28 4.80 1.57 -0.35 -2.42 116.57 120.09 3iyl h LYS 839 Ca -0.10 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3iyl h LYS 839 Cb 0.79 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.95 3iyl h LYS 839 CO 0.16 0.44 -0.13 0.00 -0.57 0.00 0.00 179.45 179.35 3iyl h ALA 840 N 1.60 -0.37 0.00 3.86 0.00 -1.26 -3.10 119.26 120.00 3iyl h ALA 840 Ca 0.49 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3iyl h ALA 840 Cb 0.84 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3iyl h ALA 840 CO -0.25 -0.49 0.00 1.19 0.00 0.00 0.00 179.25 179.70 3iyl n PHE 841 N -5.08 0.00 0.12 0.00 3.72 -0.54 -3.27 117.46 112.42 3iyl n PHE 841 Ca -0.09 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.25 3iyl n PHE 841 Cb 0.26 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.78 3iyl n PHE 841 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3iyl h ALA 842 N 2.60 -0.41 -0.85 4.37 0.00 -1.35 -3.20 119.26 120.42 3iyl h ALA 842 Ca 0.00 -0.09 0.23 0.00 0.00 0.00 0.00 54.91 55.06 3iyl h ALA 842 Cb 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3iyl h ALA 842 CO 0.00 -0.38 0.60 -1.35 0.00 0.00 0.00 179.25 178.11 3iyl h PRO 843 N -1.06 0.09 -0.26 0.00 0.11 -1.71 -2.25 132.00 126.93 3iyl h PRO 843 Ca -0.04 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 3iyl h PRO 843 Cb 0.30 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 3iyl h PRO 843 CO 0.07 0.06 0.10 -0.07 -0.21 0.00 0.00 178.00 177.94 3iyl h LEU 844 N 0.09 0.36 0.00 2.35 3.38 -1.70 -2.75 115.31 117.04 3iyl h LEU 844 Ca 0.41 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3iyl h LEU 844 Cb 1.49 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.15 3iyl h LEU 844 CO -0.05 0.44 0.00 0.49 0.09 0.00 0.00 178.44 179.41 3iyl n PHE 845 N -4.77 0.00 0.09 1.13 3.01 -0.86 -2.88 117.46 113.18 3iyl n PHE 845 Ca -0.03 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.30 3iyl n PHE 845 Cb 0.14 -0.16 -0.12 0.00 -0.01 0.00 0.00 39.48 39.33 3iyl n PHE 845 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3iyl h ALA 846 N 3.52 0.21 -1.94 4.37 0.00 -1.35 -3.41 119.26 120.66 3iyl h ALA 846 Ca 0.00 -0.87 -0.63 0.00 0.00 0.00 0.00 54.91 53.42 3iyl h ALA 846 Cb 0.14 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 17.76 3iyl h ALA 846 CO 0.00 1.03 0.41 -1.54 0.00 0.00 0.00 179.25 179.15 3iyl s SER 847 N -7.02 6.35 0.00 0.00 1.04 -1.14 -3.62 113.70 109.31 3iyl s SER 847 Ca -0.03 -0.33 -0.01 0.00 0.48 0.00 0.00 55.95 56.07 3iyl s SER 847 Cb 0.08 -2.40 -0.03 0.00 0.10 0.00 0.00 66.02 63.77 3iyl s SER 847 CO 0.86 -1.06 0.89 -0.46 0.98 0.00 0.00 173.24 174.45 3iyl n ASN 848 N 6.99 0.70 0.09 7.02 2.04 -1.26 -4.15 115.26 126.68 3iyl n ASN 848 Ca 0.01 -1.61 0.13 0.00 -0.44 0.00 0.00 54.58 52.67 3iyl n ASN 848 Cb 0.47 -0.19 0.42 0.00 -2.53 0.00 0.00 39.78 37.95 3iyl n ASN 848 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3iyl n ALA 849 N 2.89 2.32 0.05 -2.53 0.00 -1.26 -3.10 120.51 118.87 3iyl n ALA 849 Ca 0.05 -0.04 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 3iyl n ALA 849 Cb 0.12 -1.46 0.04 0.00 0.00 0.00 0.00 19.45 18.15 3iyl n ALA 849 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3iyl h MET 850 N 0.00 0.38 0.00 0.00 1.85 -1.84 -3.21 114.93 112.12 3iyl h MET 850 Ca 0.00 -0.31 -0.05 0.00 -0.61 0.00 0.00 59.70 58.74 3iyl h MET 850 Cb 0.71 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.80 3iyl h MET 850 CO 0.00 0.94 -0.69 0.74 -0.40 0.00 0.00 176.91 177.51 3iyl h PHE 851 N 0.27 0.00 -0.67 1.39 0.04 -1.86 -3.21 116.94 112.89 3iyl h PHE 851 Ca -0.03 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.70 3iyl h PHE 851 Cb 1.27 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.39 3iyl h PHE 851 CO 0.04 0.19 0.23 1.15 -0.60 0.00 0.00 178.31 179.33 3iyl h THR 852 N 0.00 1.24 -0.71 -1.55 2.02 -1.56 -1.40 112.91 110.95 3iyl h THR 852 Ca -0.03 -0.80 0.01 0.00 0.77 0.00 0.00 66.41 66.37 3iyl h THR 852 Cb 1.17 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.02 3iyl h THR 852 CO 0.02 0.31 0.46 -0.09 0.37 0.00 0.00 175.52 176.60 3iyl h ARG 853 N 0.98 0.90 -0.12 6.66 2.43 -1.56 0.16 114.38 123.84 3iyl h ARG 853 Ca 0.22 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.23 3iyl h ARG 853 Cb 0.24 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3iyl h ARG 853 CO -0.01 0.60 -0.40 -0.91 -1.51 0.00 0.00 179.97 177.73 3iyl h ASN 854 N 0.93 0.27 0.01 -3.80 4.21 -1.50 -2.67 115.58 113.02 3iyl h ASN 854 Ca 0.27 -0.11 -0.03 0.00 1.21 0.00 0.00 56.30 57.64 3iyl h ASN 854 Cb -0.07 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.06 3iyl h ASN 854 CO -0.07 0.65 -0.12 1.56 -1.29 0.00 0.00 177.43 178.15 3iyl h GLN 855 N 0.22 0.07 0.00 0.81 4.20 -0.59 -2.46 115.11 117.35 3iyl h GLN 855 Ca 0.02 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3iyl h GLN 855 Cb 0.81 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.61 3iyl h GLN 855 CO 0.06 0.90 -0.02 0.00 -0.67 0.00 0.00 178.83 179.10 3iyl h ARG 856 N -0.73 0.00 0.26 1.46 3.08 -0.78 -2.72 114.38 114.96 3iyl h ARG 856 Ca -0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3iyl h ARG 856 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.00 3iyl h ARG 856 CO 0.02 0.02 -0.13 0.00 -1.07 0.00 0.00 179.97 178.82 3iyl h ALA 857 N 1.98 -0.35 0.00 0.04 0.00 -1.43 -2.55 119.26 116.94 3iyl h ALA 857 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3iyl h ALA 857 Cb 0.10 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3iyl h ALA 857 CO 0.00 -0.41 0.00 1.33 0.00 0.00 0.00 179.25 180.18 3iyl n VAL 858 N -5.02 1.12 -0.08 0.00 0.24 -0.93 -1.43 118.33 112.22 3iyl n VAL 858 Ca -0.08 0.28 -0.06 0.00 -2.04 0.00 0.00 64.34 62.44 3iyl n VAL 858 Cb 0.25 -1.18 -0.16 0.00 -1.47 0.00 0.00 33.84 31.28 3iyl n VAL 858 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3iyl n ILE 859 N -1.35 1.13 0.10 1.34 2.08 -1.12 -3.55 119.36 117.99 3iyl n ILE 859 Ca 0.02 -0.79 -0.04 0.00 0.56 0.00 0.00 62.75 62.51 3iyl n ILE 859 Cb 0.05 -0.40 0.15 0.00 -0.75 0.00 0.00 39.64 38.69 3iyl n ILE 859 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 3iyl h THR 860 N 0.00 1.39 0.00 1.39 2.02 -0.80 0.10 112.91 117.01 3iyl h THR 860 Ca -0.43 -1.94 -0.05 0.00 0.77 0.00 0.00 66.41 64.76 3iyl h THR 860 Cb 1.99 1.99 -0.01 0.00 -1.74 0.00 0.00 68.15 70.38 3iyl h THR 860 CO 0.03 0.57 -0.24 -0.09 0.37 0.00 0.00 175.52 176.16 3iyl h ARG 861 N 0.13 0.00 0.02 6.66 1.12 -1.54 -1.40 114.38 119.37 3iyl h ARG 861 Ca -0.00 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.87 3iyl h ARG 861 Cb 1.06 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.02 3iyl h ARG 861 CO 0.09 0.24 -0.01 0.93 -3.11 0.00 0.00 179.97 178.11 3iyl h GLU 862 N 0.00 -0.02 0.00 0.20 4.39 -1.47 -2.35 114.58 115.32 3iyl h GLU 862 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3iyl h GLU 862 Cb 0.86 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 3iyl h GLU 862 CO 0.03 0.64 0.00 0.00 -1.16 0.00 0.00 179.01 178.52 3iyl n ALA 863 N -2.65 1.10 -0.10 3.43 0.00 0.30 -1.39 120.51 121.20 3iyl n ALA 863 Ca -0.07 0.02 -0.15 0.00 0.00 0.00 0.00 53.44 53.24 3iyl n ALA 863 Cb 0.32 -1.08 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 3iyl n ALA 863 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3iyl n PHE 864 N -1.61 0.19 0.15 0.00 -0.00 -0.53 -2.34 117.46 113.31 3iyl n PHE 864 Ca 0.00 0.08 0.09 0.00 -0.00 0.00 0.00 57.45 57.63 3iyl n PHE 864 Cb 0.03 -0.72 0.49 0.00 -0.00 0.00 0.00 39.48 39.28 3iyl n PHE 864 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3iyl n VAL 865 N -4.42 1.04 -0.09 -2.13 0.31 -0.89 -0.53 118.33 111.62 3iyl n VAL 865 Ca -0.26 0.72 -0.13 0.00 -0.01 0.00 0.00 64.34 64.65 3iyl n VAL 865 Cb 0.61 -1.72 -0.14 0.00 -0.91 0.00 0.00 33.84 31.68 3iyl n VAL 865 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3iyl h ALA 867 N 0.60 -0.49 -1.01 0.00 0.00 -0.68 -2.21 119.26 115.47 3iyl h ALA 867 Ca -0.52 -0.14 0.29 0.00 0.00 0.00 0.00 54.91 54.53 3iyl h ALA 867 Cb 2.09 0.19 -0.14 0.00 0.00 0.00 0.00 17.79 19.94 3iyl h ALA 867 CO -0.00 -0.48 0.59 -0.09 0.00 0.00 0.00 179.25 179.27 3iyl h ARG 868 N -1.08 0.43 0.01 0.00 2.43 -1.05 -0.71 114.38 114.40 3iyl h ARG 868 Ca -0.05 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3iyl h ARG 868 Cb 0.45 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3iyl h ARG 868 CO 0.08 0.28 -0.00 1.03 -1.51 0.00 0.00 179.97 179.85 3iyl h SER 869 N 0.44 -0.01 -0.29 -3.80 0.87 -1.65 -0.90 113.55 108.22 3iyl h SER 869 Ca 0.69 -0.41 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 3iyl h SER 869 Cb 1.48 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.42 3iyl h SER 869 CO -0.54 0.40 0.14 0.00 -0.53 0.00 0.00 176.83 176.30 3iyl h ALA 870 N 0.57 1.63 0.00 6.23 0.00 -0.52 0.13 119.26 127.29 3iyl h ALA 870 Ca -0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3iyl h ALA 870 Cb 0.41 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3iyl h ALA 870 CO 0.00 0.30 -0.84 -0.39 0.00 0.00 0.00 179.25 178.32 3iyl h VAL 871 N 0.47 0.38 -0.00 0.00 -1.51 -1.29 -3.21 116.25 111.09 3iyl h VAL 871 Ca 0.12 -1.62 0.00 0.00 -1.23 0.00 0.00 66.70 63.97 3iyl h VAL 871 Cb 0.08 1.98 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 3iyl h VAL 871 CO -0.01 0.21 -0.12 0.00 -1.23 0.00 0.00 177.57 176.42 3iyl n ALA 872 N -2.25 2.66 0.45 5.19 0.00 -0.34 -3.33 120.51 122.88 3iyl n ALA 872 Ca -0.02 -0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.35 3iyl n ALA 872 Cb 0.68 -1.38 -0.11 0.00 0.00 0.00 0.00 19.45 18.64 3iyl n ALA 872 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3iyl n GLN 873 N -1.41 0.36 0.02 0.00 6.02 -0.05 -4.32 117.38 118.01 3iyl n GLN 873 Ca 0.08 -0.08 0.02 0.00 -0.01 0.00 0.00 57.00 57.01 3iyl n GLN 873 Cb 0.32 -1.54 -0.09 0.00 1.02 0.00 0.00 30.24 29.95 3iyl n GLN 873 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3iyl s GLN 875 N -3.01 3.92 -0.02 0.00 -2.07 -1.22 -3.68 119.66 113.57 3iyl s GLN 875 Ca -0.04 0.59 -0.25 0.00 -1.82 0.00 0.00 55.36 53.85 3iyl s GLN 875 Cb 0.09 -2.42 -0.19 0.00 -1.09 0.00 0.00 33.01 29.41 3iyl s GLN 875 CO 0.82 0.09 1.16 0.22 -1.32 0.00 0.00 175.29 176.26 3iyl h ASP 876 N 1.90 -0.12 -4.36 12.60 1.82 -1.89 -3.45 116.42 122.92 3iyl h ASP 876 Ca -0.48 -0.40 -0.22 0.00 -0.39 0.00 0.00 57.03 55.55 3iyl h ASP 876 Cb 1.18 0.03 0.04 0.00 0.68 0.00 0.00 39.33 41.26 3iyl h ASP 876 CO 0.65 0.37 0.05 0.00 -1.61 0.00 0.00 179.24 178.70 3iyl n ALA 877 N -2.43 0.12 0.00 -0.78 0.00 -1.26 -5.07 120.51 111.09 3iyl n ALA 877 Ca -0.08 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.44 3iyl n ALA 877 Cb 0.26 0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3iyl n ALA 877 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iyl n GLY 878 N 1.45 2.60 0.00 0.00 0.00 -1.26 -4.94 105.19 103.04 3iyl n GLY 878 Ca 0.08 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3iyl n GLY 878 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3iyl n PHE 879 N 1.06 0.00 -1.86 1.61 7.35 -1.26 -4.69 117.46 119.67 3iyl n PHE 879 Ca 0.00 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.30 3iyl n PHE 879 Cb 0.00 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.80 3iyl n PHE 879 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3iyl s LEU 880 N 0.00 3.39 -0.04 -2.13 1.43 -1.26 -4.87 118.68 115.20 3iyl s LEU 880 Ca 0.00 0.92 -0.00 0.00 -1.03 0.00 0.00 54.13 54.02 3iyl s LEU 880 Cb 0.00 -2.86 0.03 0.00 0.03 0.00 0.00 46.19 43.39 3iyl s LEU 880 CO 0.00 -2.31 0.02 0.68 0.23 0.00 0.00 176.35 174.97 3iyl s VAL 881 N 9.29 0.11 -0.21 -1.59 -7.23 -1.26 -5.10 120.40 114.41 3iyl s VAL 881 Ca 0.81 0.19 -0.41 0.00 -1.81 0.00 0.00 61.98 60.76 3iyl s VAL 881 Cb -0.18 -0.25 -0.18 0.00 0.56 0.00 0.00 36.38 36.32 3iyl s VAL 881 CO 0.27 0.16 1.48 -2.65 -0.31 0.00 0.00 175.10 174.05 3iyl n PRO 882 N 4.54 0.59 -3.51 4.82 -0.02 -1.26 -4.89 135.00 135.28 3iyl n PRO 882 Ca -0.19 0.21 -0.41 0.00 -2.02 0.00 0.00 63.50 61.10 3iyl n PRO 882 Cb 0.50 -1.80 -0.04 0.00 -0.02 0.00 0.00 33.50 32.14 3iyl n PRO 882 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3iyl s ARG 883 N 2.03 3.52 0.51 -0.52 0.52 -1.26 -4.84 118.95 118.91 3iyl s ARG 883 Ca 0.96 -3.03 0.30 0.00 -0.52 0.00 0.00 55.73 53.43 3iyl s ARG 883 Cb -1.21 -4.19 1.06 0.00 0.52 0.00 0.00 34.95 31.13 3iyl s ARG 883 CO 0.65 -1.25 1.87 -1.35 0.02 0.00 0.00 175.30 175.24 3iyl h PRO 884 N 6.63 0.00 -0.92 3.54 0.11 -1.90 -3.13 132.00 136.33 3iyl h PRO 884 Ca 0.13 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.61 3iyl h PRO 884 Cb 0.89 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 31.67 3iyl h PRO 884 CO 0.87 0.05 0.37 1.28 -0.21 0.00 0.00 178.00 180.35 3iyl n LEU 885 N -3.14 6.86 0.22 2.35 4.77 -1.26 -4.63 117.00 122.16 3iyl n LEU 885 Ca 0.01 -4.42 0.13 0.00 -0.03 0.00 0.00 56.01 51.70 3iyl n LEU 885 Cb 0.38 -0.79 0.24 0.00 -2.33 0.00 0.00 43.42 40.92 3iyl n LEU 885 CO 0.30 1.65 0.83 -0.78 -1.33 0.00 0.00 177.39 178.06 3iyl h ASP 886 N 2.04 0.00 0.36 -1.43 3.58 -1.92 -3.27 116.42 115.77 3iyl h ASP 886 Ca 0.54 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.83 3iyl h ASP 886 Cb 1.05 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 3iyl h ASP 886 CO 1.34 0.00 -0.63 0.00 -2.88 0.00 0.00 179.24 177.07 3iyl h ALA 887 N 2.01 0.80 -2.49 -0.78 0.00 -1.89 -3.44 119.26 113.48 3iyl h ALA 887 Ca 0.00 -0.56 -0.53 0.00 0.00 0.00 0.00 54.91 53.82 3iyl h ALA 887 Cb 0.94 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.67 3iyl h ALA 887 CO 0.00 0.74 1.02 -0.51 0.00 0.00 0.00 179.25 180.50 3iyl s LEU 888 N -7.91 4.37 0.10 0.00 2.01 -1.24 -4.91 118.68 111.11 3iyl s LEU 888 Ca -0.04 2.59 -0.31 0.00 0.01 0.00 0.00 54.13 56.38 3iyl s LEU 888 Cb 0.12 -3.57 -0.10 0.00 0.01 0.00 0.00 46.19 42.65 3iyl s LEU 888 CO 0.80 -0.91 1.88 -0.60 1.01 0.00 0.00 176.35 178.54 3iyl s ARG 889 N 2.45 4.13 -0.22 1.70 6.06 -1.26 -4.35 118.95 127.46 3iyl s ARG 889 Ca 0.75 2.62 -0.06 0.00 -2.50 0.00 0.00 55.73 56.55 3iyl s ARG 889 Cb -0.42 -3.76 0.11 0.00 0.06 0.00 0.00 34.95 30.94 3iyl s ARG 889 CO 0.33 -0.88 0.43 -1.14 -2.50 0.00 0.00 175.30 171.54 3iyl s GLN 890 N 3.25 0.36 0.99 5.12 2.00 -1.24 -2.63 119.66 127.51 3iyl s GLN 890 Ca 0.84 0.93 -0.11 0.00 -2.00 0.00 0.00 55.36 55.02 3iyl s GLN 890 Cb -0.45 0.17 0.18 0.00 0.80 0.00 0.00 33.01 33.71 3iyl s GLN 890 CO 0.38 -0.37 1.08 1.97 -0.50 0.00 0.00 175.29 177.85 3iyl n PHE 891 N 5.39 0.21 -1.98 1.67 1.16 -1.07 -4.87 117.46 117.97 3iyl n PHE 891 Ca -0.07 0.25 -0.42 0.00 -1.87 0.00 0.00 57.45 55.34 3iyl n PHE 891 Cb 0.50 -1.91 -0.03 0.00 -1.61 0.00 0.00 39.48 36.43 3iyl n PHE 891 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3iyl s ASP 892 N -2.55 6.65 -0.12 5.98 1.01 -1.26 -4.85 116.67 121.53 3iyl s ASP 892 Ca 0.67 2.30 -0.29 0.00 0.71 0.00 0.00 52.55 55.93 3iyl s ASP 892 Cb -0.24 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.13 3iyl s ASP 892 CO 0.60 -0.92 1.25 -0.69 0.21 0.00 0.00 175.17 175.62 3iyl s VAL 893 N 3.80 4.24 0.00 -1.27 1.01 -1.24 -5.02 120.40 121.92 3iyl s VAL 893 Ca 0.74 1.53 0.00 0.00 0.00 0.00 0.00 61.98 64.25 3iyl s VAL 893 Cb -0.35 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.05 3iyl s VAL 893 CO 0.31 -0.08 0.00 0.35 0.00 0.00 0.00 175.10 175.67 3iyl n THR 894 N 5.09 0.00 -0.01 3.92 -2.24 -1.26 -4.76 114.28 115.01 3iyl n THR 894 Ca 0.13 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.74 3iyl n THR 894 Cb 0.45 -1.53 -0.10 0.00 -2.10 0.00 0.00 70.33 67.05 3iyl n THR 894 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3iyl h SER 895 N -0.30 0.48 -0.22 3.42 0.87 -1.98 -2.95 113.55 112.87 3iyl h SER 895 Ca 0.00 -0.72 -0.08 0.00 -1.23 0.00 0.00 61.79 59.76 3iyl h SER 895 Cb 0.00 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 3iyl h SER 895 CO 0.00 1.13 -0.12 0.00 -0.53 0.00 0.00 176.83 177.31 3iyl h ALA 896 N 0.36 1.14 -0.24 6.23 0.00 -1.93 -3.06 119.26 121.75 3iyl h ALA 896 Ca -0.05 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 3iyl h ALA 896 Cb 1.18 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3iyl h ALA 896 CO 0.10 0.54 -0.14 0.00 0.00 0.00 0.00 179.25 179.75 3iyl h ALA 897 N 1.31 0.34 -0.51 0.00 0.00 -1.92 -3.22 119.26 115.27 3iyl h ALA 897 Ca 0.10 -0.32 0.10 0.00 0.00 0.00 0.00 54.91 54.79 3iyl h ALA 897 Cb 0.53 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 3iyl h ALA 897 CO 0.03 0.23 0.01 0.00 0.00 0.00 0.00 179.25 179.52 3iyl h ALA 898 N 0.71 0.50 -0.23 0.00 0.00 -1.42 -0.31 119.26 118.50 3iyl h ALA 898 Ca 0.05 0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.18 3iyl h ALA 898 Cb 0.66 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3iyl h ALA 898 CO 0.04 -0.38 0.69 0.00 0.00 0.00 0.00 179.25 179.60 3iyl h ALA 899 N 1.46 1.92 0.10 0.00 0.00 -1.55 0.66 119.26 121.85 3iyl h ALA 899 Ca 0.26 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.80 3iyl h ALA 899 Cb 0.39 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3iyl h ALA 899 CO -0.42 -0.81 -2.02 0.39 0.00 0.00 0.00 179.25 176.38 3iyl n GLU 900 N -2.96 0.74 0.26 0.00 1.02 -0.14 -1.42 120.64 118.14 3iyl n GLU 900 Ca 0.04 0.25 0.13 0.00 -0.02 0.00 0.00 57.16 57.56 3iyl n GLU 900 Cb 0.79 -1.70 0.72 0.00 -0.02 0.00 0.00 31.44 31.23 3iyl n GLU 900 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3iyl h ILE 901 N 0.06 0.52 0.09 -3.67 2.04 -0.23 -0.84 117.51 115.48 3iyl h ILE 901 Ca -0.43 -0.57 -0.25 0.00 1.00 0.00 0.00 64.86 64.61 3iyl h ILE 901 Cb 2.02 1.38 0.02 0.00 -0.74 0.00 0.00 36.82 39.51 3iyl h ILE 901 CO 0.07 0.12 -1.03 -0.03 0.00 0.00 0.00 178.15 177.28 3iyl h MET 902 N 0.00 0.54 0.00 2.37 4.05 0.04 -2.75 114.93 119.18 3iyl h MET 902 Ca -0.00 -0.70 -0.10 0.00 -0.28 0.00 0.00 59.70 58.62 3iyl h MET 902 Cb 0.37 0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 31.38 3iyl h MET 902 CO 0.02 1.30 -0.48 0.45 0.23 0.00 0.00 176.91 178.43 3iyl h HIS 903 N 0.10 0.00 -0.13 1.39 3.86 -0.78 -0.71 115.15 118.88 3iyl h HIS 903 Ca -0.15 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 58.87 3iyl h HIS 903 Cb 1.73 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.20 3iyl h HIS 903 CO 0.13 0.48 -0.68 0.00 0.86 0.00 0.00 177.93 178.73 3iyl h ALA 904 N 1.52 0.58 0.10 2.45 0.00 -1.22 -0.39 119.26 122.29 3iyl h ALA 904 Ca -0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 3iyl h ALA 904 Cb 0.95 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3iyl h ALA 904 CO 0.06 0.72 -0.05 0.28 0.00 0.00 0.00 179.25 180.27 3iyl h VAL 905 N 0.38 1.00 -0.75 0.00 2.07 -1.33 -2.52 116.25 115.11 3iyl h VAL 905 Ca -0.02 -1.38 0.03 0.00 0.82 0.00 0.00 66.70 66.15 3iyl h VAL 905 Cb 1.25 1.76 -0.05 0.00 -1.52 0.00 0.00 31.29 32.73 3iyl h VAL 905 CO 0.12 0.29 0.47 -1.13 0.02 0.00 0.00 177.57 177.34 3iyl h ASN 906 N -0.88 0.77 0.81 0.57 -1.24 -1.22 -1.76 115.58 112.63 3iyl h ASN 906 Ca -0.01 -0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.95 3iyl h ASN 906 Cb 0.57 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 3iyl h ASN 906 CO 0.02 0.53 -0.24 -0.78 -1.29 0.00 0.00 177.43 175.67 3iyl h ASP 907 N 0.92 0.00 -0.09 1.15 3.58 -1.17 -2.77 116.42 118.04 3iyl h ASP 907 Ca 0.30 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.61 3iyl h ASP 907 Cb 0.02 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.08 3iyl h ASP 907 CO -0.11 0.24 -0.47 0.00 -2.88 0.00 0.00 179.24 176.02 3iyl h ALA 908 N 1.76 0.18 0.15 -0.78 0.00 -0.88 -2.89 119.26 116.80 3iyl h ALA 908 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3iyl h ALA 908 Cb 0.71 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3iyl h ALA 908 CO 0.03 0.34 -0.12 0.74 0.00 0.00 0.00 179.25 180.24 3iyl h PHE 909 N 0.05 -0.32 -0.56 0.00 0.04 -1.26 -1.23 116.94 113.66 3iyl h PHE 909 Ca -0.03 0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.85 3iyl h PHE 909 Cb 1.13 0.12 -0.09 0.00 2.20 0.00 0.00 35.95 39.31 3iyl h PHE 909 CO 0.12 -0.19 0.04 0.87 -0.60 0.00 0.00 178.31 178.55 3iyl h LYS 910 N -0.29 0.15 -0.83 1.51 1.57 -1.57 0.12 116.57 117.24 3iyl h LYS 910 Ca -0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3iyl h LYS 910 Cb 0.26 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 3iyl h LYS 910 CO -0.02 0.10 0.49 1.15 -0.57 0.00 0.00 179.45 180.60 3iyl h THR 911 N 0.16 1.23 -0.32 -0.16 2.02 -1.25 1.42 112.91 116.01 3iyl h THR 911 Ca 0.29 -0.53 -0.10 0.00 0.77 0.00 0.00 66.41 66.84 3iyl h THR 911 Cb 0.44 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3iyl h THR 911 CO -0.44 0.25 -0.21 0.00 0.37 0.00 0.00 175.52 175.49 3iyl h ALA 912 N 1.39 0.45 -0.36 6.16 0.00 0.13 -3.28 119.26 123.76 3iyl h ALA 912 Ca 0.30 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3iyl h ALA 912 Cb -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3iyl h ALA 912 CO -0.05 0.41 0.00 1.19 0.00 0.00 0.00 179.25 180.79 3iyl n PHE 913 N -4.31 1.12 -2.45 0.00 3.72 0.25 -4.75 117.46 111.04 3iyl n PHE 913 Ca -0.03 -0.78 -0.13 0.00 -0.05 0.00 0.00 57.45 56.46 3iyl n PHE 913 Cb 0.43 -0.31 0.01 0.00 -0.94 0.00 0.00 39.48 38.67 3iyl n PHE 913 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3iyl n ASP 914 N -0.04 -1.96 -5.00 4.37 5.75 0.49 -2.64 116.55 117.51 3iyl n ASP 914 Ca 0.22 -0.21 -0.18 0.00 -0.01 0.00 0.00 54.79 54.60 3iyl n ASP 914 Cb 0.89 -0.61 0.02 0.00 -1.03 0.00 0.00 41.12 40.39 3iyl n ASP 914 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3iyl s LEU 915 N -1.98 3.58 -0.13 -2.12 1.02 -1.16 -4.68 118.68 113.21 3iyl s LEU 915 Ca 0.08 -0.32 0.00 0.00 0.02 0.00 0.00 54.13 53.91 3iyl s LEU 915 Cb -0.01 -2.71 -0.01 0.00 0.02 0.00 0.00 46.19 43.48 3iyl s LEU 915 CO 0.34 -0.84 -0.14 -1.81 0.02 0.00 0.00 176.35 173.92 3iyl s ASP 916 N -4.36 3.87 0.46 2.29 1.11 -1.26 -5.03 116.67 113.74 3iyl s ASP 916 Ca 0.55 -0.37 0.00 0.00 0.18 0.00 0.00 52.55 52.91 3iyl s ASP 916 Cb -0.10 -1.58 0.00 0.00 1.07 0.00 0.00 42.92 42.31 3iyl s ASP 916 CO 0.34 0.15 0.00 0.61 1.18 0.00 0.00 175.17 177.46 3iyl n GLY 917 N 3.60 -3.70 0.00 0.21 0.00 -1.26 -4.68 105.19 99.36 3iyl n GLY 917 Ca -0.18 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3iyl n GLY 917 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iyl n ALA 918 N -2.57 0.00 -0.42 4.61 0.00 -1.26 -4.81 120.51 116.06 3iyl n ALA 918 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3iyl n ALA 918 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 3iyl n ALA 918 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3iyl n LEU 919 N 0.00 0.00 -0.22 0.00 0.00 -1.26 -2.88 117.00 112.64 3iyl n LEU 919 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 56.01 56.04 3iyl n LEU 919 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 43.42 43.44 3iyl n LEU 919 CO 0.00 0.00 0.28 -0.11 0.00 0.00 0.00 177.39 177.56 3iyl n LEU 920 N 0.00 1.30 0.14 -1.96 7.94 -1.26 -4.60 117.00 118.56 3iyl n LEU 920 Ca 0.00 -0.89 0.11 0.00 -1.11 0.00 0.00 56.01 54.12 3iyl n LEU 920 Cb 0.00 0.00 0.52 0.00 0.53 0.00 0.00 43.42 44.47 3iyl n LEU 920 CO 0.00 0.27 0.84 -0.90 -1.11 0.00 0.00 177.39 176.49 3iyl n ASP 921 N 0.06 0.62 -0.17 1.96 5.68 -1.14 -2.16 116.55 121.39 3iyl n ASP 921 Ca 0.03 0.70 0.09 0.00 -0.50 0.00 0.00 54.79 55.12 3iyl n ASP 921 Cb 0.16 -0.81 0.41 0.00 -1.14 0.00 0.00 41.12 39.73 3iyl n ASP 921 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3iyl h GLY 922 N 1.38 0.88 1.72 6.12 0.00 -1.82 -0.97 103.07 110.38 3iyl h GLY 922 Ca 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 3iyl h GLY 922 CO 0.00 0.16 -0.31 1.41 0.00 0.00 0.00 176.54 177.79 3iyl h LEU 923 N 0.63 0.32 -3.95 3.11 4.07 -1.77 -3.24 115.31 114.49 3iyl h LEU 923 Ca 0.33 -0.12 -0.64 0.00 0.08 0.00 0.00 57.88 57.53 3iyl h LEU 923 Cb 0.45 -0.09 -0.31 0.00 1.08 0.00 0.00 40.66 41.79 3iyl h LEU 923 CO -0.11 0.63 0.56 0.00 -1.08 0.00 0.00 178.44 178.43 3iyl n ALA 924 N -2.48 6.06 -0.61 1.53 0.00 -0.38 -4.05 120.51 120.58 3iyl n ALA 924 Ca -0.01 -3.51 0.00 0.00 0.00 0.00 0.00 53.44 49.92 3iyl n ALA 924 Cb 0.42 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.38 3iyl n ALA 924 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3iyl n LEU 925 N -0.89 0.49 0.00 0.00 4.77 -1.16 -4.90 117.00 115.31 3iyl n LEU 925 Ca 0.59 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3iyl n LEU 925 Cb 0.76 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 3iyl n LEU 925 CO 0.71 0.12 0.00 0.00 -1.33 0.00 0.00 177.39 176.90 3iyl n TYR 926 N -0.05 0.00 -4.36 -1.77 0.18 -1.26 -5.13 117.16 104.77 3iyl n TYR 926 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3iyl n TYR 926 Cb 0.22 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.18 3iyl n TYR 926 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3iyl n GLY 927 N -0.45 -1.01 3.62 -7.48 0.00 -1.26 -4.66 105.19 93.95 3iyl n GLY 927 Ca 0.00 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 3iyl n GLY 927 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iyl s ASP 928 N -4.00 6.36 0.30 1.61 1.01 -1.26 -4.90 116.67 115.79 3iyl s ASP 928 Ca 0.00 0.43 0.25 0.00 0.71 0.00 0.00 52.55 53.93 3iyl s ASP 928 Cb 0.00 -2.24 1.08 0.00 1.01 0.00 0.00 42.92 42.77 3iyl s ASP 928 CO 0.00 -0.20 1.74 -0.65 0.21 0.00 0.00 175.17 176.27 3iyl h PRO 929 N 7.93 0.00 -5.87 8.23 0.11 -1.78 -3.35 132.00 137.27 3iyl h PRO 929 Ca -0.32 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.16 3iyl h PRO 929 Cb 1.15 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.18 3iyl h PRO 929 CO 0.69 0.00 1.97 1.03 -0.21 0.00 0.00 178.00 181.47 3iyl s ARG 930 N -3.41 3.78 0.13 1.05 0.52 -1.26 -4.93 118.95 114.83 3iyl s ARG 930 Ca 0.03 -1.75 -0.11 0.00 -0.52 0.00 0.00 55.73 53.38 3iyl s ARG 930 Cb 0.09 -5.48 -0.06 0.00 0.52 0.00 0.00 34.95 30.02 3iyl s ARG 930 CO 0.37 -2.41 0.48 0.96 0.02 0.00 0.00 175.30 174.73 3iyl s ILE 931 N 5.00 4.98 0.00 1.52 -4.36 -1.26 -4.95 121.20 122.13 3iyl s ILE 931 Ca 0.54 0.58 0.00 0.00 -0.26 0.00 0.00 60.65 61.51 3iyl s ILE 931 Cb 0.03 -3.67 0.00 0.00 1.25 0.00 0.00 42.46 40.06 3iyl s ILE 931 CO 0.05 0.20 0.00 0.00 0.24 0.00 0.00 174.94 175.43 3iyl n ALA 932 N 0.65 0.35 -3.78 2.27 0.00 -0.75 -4.83 120.51 114.41 3iyl n ALA 932 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.13 3iyl n ALA 932 Cb 0.52 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.80 3iyl n ALA 932 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3iyl s ASP 933 N -0.54 2.24 0.51 0.00 2.15 -1.26 -5.00 116.67 114.76 3iyl s ASP 933 Ca 0.00 -0.43 -0.23 0.00 0.43 0.00 0.00 52.55 52.32 3iyl s ASP 933 Cb 0.00 -0.58 -0.06 0.00 -0.30 0.00 0.00 42.92 41.98 3iyl s ASP 933 CO 0.00 -0.23 1.38 -0.76 -0.17 0.00 0.00 175.17 175.39 3iyl s LEU 934 N 1.87 3.95 -0.27 -1.34 1.02 -1.26 -3.86 118.68 118.79 3iyl s LEU 934 Ca 0.02 2.81 -0.22 0.00 0.02 0.00 0.00 54.13 56.76 3iyl s LEU 934 Cb -0.14 -4.15 0.07 0.00 0.02 0.00 0.00 46.19 41.99 3iyl s LEU 934 CO -0.07 -1.42 0.70 -0.94 0.02 0.00 0.00 176.35 174.65 3iyl s SER 935 N -0.81 -0.80 -0.09 2.29 1.04 -0.89 -1.90 113.70 112.55 3iyl s SER 935 Ca 0.68 1.46 0.01 0.00 0.48 0.00 0.00 55.95 58.57 3iyl s SER 935 Cb -0.41 1.43 -0.03 0.00 0.10 0.00 0.00 66.02 67.12 3iyl s SER 935 CO 0.50 -0.25 -0.10 0.00 0.98 0.00 0.00 173.24 174.38 3iyl s ALA 936 N 0.75 2.83 -0.07 5.32 0.00 -0.87 0.40 121.76 130.12 3iyl s ALA 936 Ca -0.03 -0.90 -0.09 0.00 0.00 0.00 0.00 51.96 50.94 3iyl s ALA 936 Cb -0.05 -1.21 0.02 0.00 0.00 0.00 0.00 23.12 21.88 3iyl s ALA 936 CO -0.05 0.45 0.24 0.00 0.00 0.00 0.00 175.76 176.40 3iyl s ALA 937 N -0.37 -0.60 -0.02 0.00 0.00 -0.14 -0.64 121.76 119.99 3iyl s ALA 937 Ca 0.05 0.53 0.05 0.00 0.00 0.00 0.00 51.96 52.59 3iyl s ALA 937 Cb -0.12 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 3iyl s ALA 937 CO 0.02 -0.15 -0.17 1.52 0.00 0.00 0.00 175.76 176.98 3iyl s TYR 938 N -0.28 2.61 -0.17 0.00 1.13 -0.84 -1.22 117.35 118.57 3iyl s TYR 938 Ca -0.04 -0.23 -0.06 0.00 -1.41 0.00 0.00 57.07 55.33 3iyl s TYR 938 Cb -0.03 -1.57 -0.04 0.00 -1.10 0.00 0.00 41.96 39.23 3iyl s TYR 938 CO 0.01 0.17 0.03 -0.51 -2.51 0.00 0.00 175.55 172.74 3iyl s LEU 939 N -0.90 3.66 -0.03 -3.49 1.02 -0.09 -2.15 118.68 116.70 3iyl s LEU 939 Ca 0.12 0.02 -0.15 0.00 0.02 0.00 0.00 54.13 54.14 3iyl s LEU 939 Cb -0.10 -1.91 -0.05 0.00 0.02 0.00 0.00 46.19 44.14 3iyl s LEU 939 CO 0.02 0.17 0.41 -1.10 0.02 0.00 0.00 176.35 175.87 3iyl s GLN 940 N 0.36 4.02 0.58 1.70 -0.21 0.13 -0.59 119.66 125.65 3iyl s GLN 940 Ca 0.01 0.40 0.36 0.00 0.02 0.00 0.00 55.36 56.15 3iyl s GLN 940 Cb -0.13 -3.27 1.35 0.00 1.00 0.00 0.00 33.01 31.96 3iyl s GLN 940 CO 0.01 0.57 1.54 -0.92 -2.12 0.00 0.00 175.29 174.36 3iyl h TYR 941 N 5.20 0.00 0.00 0.91 3.20 -1.79 0.28 116.97 124.77 3iyl h TYR 941 Ca -0.49 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.38 3iyl h TYR 941 Cb 1.21 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.48 3iyl h TYR 941 CO 0.69 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 177.62 3iyl n GLY 942 N -1.77 0.91 3.56 1.82 0.00 -1.24 -4.73 105.19 103.75 3iyl n GLY 942 Ca 0.29 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.09 3iyl n GLY 942 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iyl n GLY 943 N 0.43 -0.67 2.86 -0.02 0.00 0.95 -4.90 105.19 103.82 3iyl n GLY 943 Ca 0.00 0.31 -0.14 0.00 0.00 0.00 0.00 46.02 46.19 3iyl n GLY 943 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3iyl s ASN 944 N -3.92 -0.02 -0.36 1.61 2.47 -0.92 -4.98 114.94 108.82 3iyl s ASN 944 Ca 0.22 0.15 -0.01 0.00 0.42 0.00 0.00 52.86 53.65 3iyl s ASN 944 Cb -0.05 0.06 0.09 0.00 -1.45 0.00 0.00 41.25 39.90 3iyl s ASN 944 CO 0.80 -0.12 0.10 0.54 -3.72 0.00 0.00 177.10 174.70 3iyl s VAL 945 N 0.93 2.95 -0.07 -5.21 0.11 -1.26 0.18 120.40 118.03 3iyl s VAL 945 Ca -0.07 -1.90 -0.27 0.00 -2.93 0.00 0.00 61.98 56.81 3iyl s VAL 945 Cb -0.10 -2.94 -0.03 0.00 -1.53 0.00 0.00 36.38 31.78 3iyl s VAL 945 CO -0.04 -0.47 0.86 0.68 -3.33 0.00 0.00 175.10 172.80 3iyl s VAL 946 N 1.12 4.92 -0.28 2.04 -7.23 -0.91 -4.94 120.40 115.11 3iyl s VAL 946 Ca 0.04 1.77 0.01 0.00 -1.81 0.00 0.00 61.98 61.98 3iyl s VAL 946 Cb -0.21 -4.19 0.08 0.00 0.56 0.00 0.00 36.38 32.62 3iyl s VAL 946 CO -0.04 0.14 0.03 -0.60 -0.31 0.00 0.00 175.10 174.32 3iyl s ARG 947 N 1.30 1.23 -0.54 4.82 3.52 -1.26 -1.99 118.95 126.03 3iyl s ARG 947 Ca 0.44 -1.19 -0.28 0.00 -0.13 0.00 0.00 55.73 54.57 3iyl s ARG 947 Cb -0.19 -2.51 0.02 0.00 -1.56 0.00 0.00 34.95 30.71 3iyl s ARG 947 CO 0.20 -0.81 1.39 -1.21 -0.81 0.00 0.00 175.30 174.06 3iyl s GLU 948 N 1.38 3.36 0.27 5.12 0.41 0.18 -4.93 118.70 124.49 3iyl s GLU 948 Ca 0.03 0.49 -0.28 0.00 -0.41 0.00 0.00 54.97 54.81 3iyl s GLU 948 Cb -0.18 -4.10 -0.09 0.00 -1.78 0.00 0.00 34.13 27.98 3iyl s GLU 948 CO -0.13 -1.86 0.93 -1.01 -0.49 0.00 0.00 175.26 172.71 3iyl s HIS 949 N 5.84 3.87 -0.47 1.61 3.76 -1.26 -2.05 115.29 126.59 3iyl s HIS 949 Ca 0.52 1.85 0.04 0.00 -0.15 0.00 0.00 55.06 57.32 3iyl s HIS 949 Cb -0.11 -2.94 0.17 0.00 1.11 0.00 0.00 32.58 30.80 3iyl s HIS 949 CO 0.26 0.36 0.36 0.54 -0.85 0.00 0.00 174.74 175.41 3iyl s VAL 950 N -1.35 0.89 -0.19 -0.90 0.11 -0.80 -4.99 120.40 113.18 3iyl s VAL 950 Ca 0.44 -2.91 -0.28 0.00 -2.93 0.00 0.00 61.98 56.30 3iyl s VAL 950 Cb -0.23 -1.61 -0.00 0.00 -1.53 0.00 0.00 36.38 33.01 3iyl s VAL 950 CO 0.28 -1.16 0.98 -2.16 -3.33 0.00 0.00 175.10 169.72 3iyl s PRO 951 N -0.17 4.31 -0.08 1.54 0.04 -1.26 -4.46 135.00 134.92 3iyl s PRO 951 Ca 0.30 1.29 -0.29 0.00 0.04 0.00 0.00 61.00 62.33 3iyl s PRO 951 Cb -0.01 -3.60 -0.07 0.00 0.04 0.00 0.00 34.50 30.86 3iyl s PRO 951 CO -0.17 -0.49 1.99 -1.25 0.04 0.00 0.00 177.00 177.12 3iyl s PRO 952 N 2.68 3.78 0.25 0.56 0.04 -1.26 -4.94 135.00 136.10 3iyl s PRO 952 Ca 0.44 2.29 -0.31 0.00 0.04 0.00 0.00 61.00 63.46 3iyl s PRO 952 Cb -0.16 -4.21 -0.11 0.00 0.04 0.00 0.00 34.50 30.06 3iyl s PRO 952 CO 0.10 -1.36 1.58 0.20 0.04 0.00 0.00 177.00 177.57 3iyl s GLY 953 N 5.60 1.92 0.00 0.56 0.00 -1.26 -4.65 107.32 109.48 3iyl s GLY 953 Ca 0.89 1.50 0.00 0.00 0.00 0.00 0.00 44.72 47.12 3iyl s GLY 953 CO 0.37 2.57 0.00 -1.05 0.00 0.00 0.00 173.10 174.99 3iyl n PRO 954 N 2.76 0.00 -2.67 2.90 -0.02 -1.26 -4.83 135.00 131.88 3iyl n PRO 954 Ca 0.10 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.15 3iyl n PRO 954 Cb 0.38 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.83 3iyl n PRO 954 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3iyl s SER 955 N 0.00 6.45 0.22 2.55 0.15 -1.26 -4.92 113.70 116.88 3iyl s SER 955 Ca 0.00 0.04 -0.09 0.00 0.70 0.00 0.00 55.95 56.59 3iyl s SER 955 Cb 0.00 -2.52 0.33 0.00 -1.71 0.00 0.00 66.02 62.12 3iyl s SER 955 CO 0.00 -1.36 1.68 0.45 1.20 0.00 0.00 173.24 175.21 3iyl h HIS 956 N 9.42 0.08 -0.33 3.44 3.86 -1.93 0.28 115.15 129.97 3iyl h HIS 956 Ca -0.25 0.04 0.05 0.00 -1.16 0.00 0.00 60.37 59.05 3iyl h HIS 956 Cb 1.06 0.06 -0.05 0.00 1.06 0.00 0.00 27.41 29.55 3iyl h HIS 956 CO 0.99 -0.12 0.06 0.82 0.86 0.00 0.00 177.93 180.53 3iyl h ILE 957 N 0.18 0.83 -0.48 2.45 2.04 -1.91 -2.22 117.51 118.40 3iyl h ILE 957 Ca 0.34 -0.06 -0.06 0.00 1.00 0.00 0.00 64.86 66.08 3iyl h ILE 957 Cb 0.55 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3iyl h ILE 957 CO -0.50 0.03 0.06 -0.74 0.00 0.00 0.00 178.15 177.00 3iyl h HIS 958 N 0.17 0.79 -0.91 1.37 2.76 -1.53 -1.52 115.15 116.28 3iyl h HIS 958 Ca 0.16 -0.09 0.01 0.00 -2.20 0.00 0.00 60.37 58.25 3iyl h HIS 958 Cb 0.18 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 28.87 3iyl h HIS 958 CO -0.19 0.70 0.59 -0.09 -1.30 0.00 0.00 177.93 177.65 3iyl h ARG 959 N 0.72 1.20 0.05 5.26 2.43 -0.41 -1.24 114.38 122.38 3iyl h ARG 959 Ca 0.15 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3iyl h ARG 959 Cb 0.36 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3iyl h ARG 959 CO 0.01 0.80 -0.02 0.00 -1.51 0.00 0.00 179.97 179.24 3iyl h ALA 960 N 1.42 -0.07 -0.79 2.80 0.00 -1.03 -2.92 119.26 118.67 3iyl h ALA 960 Ca 0.33 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 55.22 3iyl h ALA 960 Cb -0.13 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.57 3iyl h ALA 960 CO -0.07 -0.33 0.22 1.25 0.00 0.00 0.00 179.25 180.32 3iyl h LEU 961 N -0.48 0.07 -0.16 0.00 5.85 -0.89 0.94 115.31 120.64 3iyl h LEU 961 Ca -0.01 0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.89 3iyl h LEU 961 Cb 0.43 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3iyl h LEU 961 CO 0.01 -0.04 0.03 -0.61 -0.34 0.00 0.00 178.44 177.49 3iyl h GLN 962 N 0.29 0.10 -0.32 1.25 5.75 -1.22 0.22 115.11 121.18 3iyl h GLN 962 Ca 0.46 -0.01 0.05 0.00 -0.15 0.00 0.00 58.65 59.01 3iyl h GLN 962 Cb 0.81 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.33 3iyl h GLN 962 CO -0.53 0.06 0.22 0.37 -2.65 0.00 0.00 178.83 176.30 3iyl h GLN 963 N 0.10 0.19 -0.03 1.69 5.75 -0.72 0.31 115.11 122.40 3iyl h GLN 963 Ca 0.07 -0.01 -0.13 0.00 -0.15 0.00 0.00 58.65 58.43 3iyl h GLN 963 Cb 0.06 -0.04 0.01 0.00 1.07 0.00 0.00 27.48 28.57 3iyl h GLN 963 CO -0.09 0.13 -0.47 0.28 -2.65 0.00 0.00 178.83 176.03 3iyl h VAL 964 N 0.20 1.43 -0.90 2.39 2.07 0.52 -2.22 116.25 119.74 3iyl h VAL 964 Ca 0.14 -1.93 -0.01 0.00 0.82 0.00 0.00 66.70 65.72 3iyl h VAL 964 Cb 0.32 2.49 -0.04 0.00 -1.52 0.00 0.00 31.29 32.54 3iyl h VAL 964 CO -0.02 0.56 0.51 -0.33 0.02 0.00 0.00 177.57 178.31 3iyl h GLU 965 N -0.13 1.25 -0.61 1.57 5.08 0.02 0.10 114.58 121.86 3iyl h GLU 965 Ca -0.05 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3iyl h GLU 965 Cb 1.16 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 3iyl h GLU 965 CO 0.09 0.90 0.33 1.03 -1.00 0.00 0.00 179.01 180.36 3iyl h SER 966 N 1.26 0.74 -0.17 1.42 0.87 -0.95 -2.45 113.55 114.27 3iyl h SER 966 Ca 0.32 -0.05 -0.21 0.00 -1.23 0.00 0.00 61.79 60.62 3iyl h SER 966 Cb -0.00 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 61.78 3iyl h SER 966 CO -0.05 0.60 -0.72 0.74 -0.53 0.00 0.00 176.83 176.86 3iyl h THR 967 N 0.84 1.28 -0.39 2.23 2.02 -0.60 -3.17 112.91 115.12 3iyl h THR 967 Ca 0.22 -1.92 0.11 0.00 0.77 0.00 0.00 66.41 65.59 3iyl h THR 967 Cb 0.02 1.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 3iyl h THR 967 CO -0.04 0.61 0.49 0.15 0.37 0.00 0.00 175.52 177.10 3iyl h PHE 968 N 0.51 0.00 0.22 3.16 3.57 -0.35 -0.41 116.94 123.65 3iyl h PHE 968 Ca -0.04 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 3iyl h PHE 968 Cb 1.35 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.09 3iyl h PHE 968 CO 0.09 0.00 -0.11 0.52 -2.23 0.00 0.00 178.31 176.58 3iyl h MET 969 N 0.00 -0.29 0.00 1.11 2.86 -1.51 -1.53 114.93 115.57 3iyl h MET 969 Ca 0.19 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 3iyl h MET 969 Cb 1.16 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.88 3iyl h MET 969 CO -0.00 0.03 0.00 0.00 1.06 0.00 0.00 176.91 178.00 3iyl n ALA 970 N -2.65 1.76 -2.47 6.32 0.00 -0.65 -3.61 120.51 119.20 3iyl n ALA 970 Ca -0.07 -0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.35 3iyl n ALA 970 Cb 0.23 -1.24 0.03 0.00 0.00 0.00 0.00 19.45 18.46 3iyl n ALA 970 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3iyl n GLU 971 N -1.39 0.08 0.31 0.00 -0.58 -0.26 -4.88 120.64 113.92 3iyl n GLU 971 Ca 0.05 -2.07 0.17 0.00 -0.42 0.00 0.00 57.16 54.90 3iyl n GLU 971 Cb 0.14 -0.08 1.00 0.00 -0.57 0.00 0.00 31.44 31.94 3iyl n GLU 971 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3iyl h MET 972 N 1.02 0.00 -0.05 3.49 -0.00 -1.33 -1.97 114.93 116.09 3iyl h MET 972 Ca -0.22 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.45 3iyl h MET 972 Cb 1.86 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.45 3iyl h MET 972 CO 0.10 0.00 -0.11 -0.91 -0.00 0.00 0.00 176.91 175.99 3iyl h ASN 973 N 0.00 0.07 0.12 -0.10 4.21 -1.85 0.99 115.58 119.02 3iyl h ASN 973 Ca 0.00 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.50 3iyl h ASN 973 Cb 0.03 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 3iyl h ASN 973 CO -0.00 0.18 0.00 0.18 -1.29 0.00 0.00 177.43 176.50 3iyl n LEU 974 N -4.37 0.00 -0.07 1.61 4.32 -0.74 -0.35 117.00 117.40 3iyl n LEU 974 Ca -0.02 0.13 0.04 0.00 -0.02 0.00 0.00 56.01 56.15 3iyl n LEU 974 Cb 0.20 -0.13 0.06 0.00 -1.62 0.00 0.00 43.42 41.93 3iyl n LEU 974 CO 0.36 -0.07 0.49 0.49 -1.22 0.00 0.00 177.39 177.44 3iyl n PHE 975 N -1.13 0.00 0.00 -1.77 3.01 0.31 -3.32 117.46 114.56 3iyl n PHE 975 Ca 0.09 -0.64 0.00 0.00 1.01 0.00 0.00 57.45 57.91 3iyl n PHE 975 Cb 0.08 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 3iyl n PHE 975 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3iyl n ASN 976 N -0.82 0.00 -4.76 4.37 4.13 0.53 -4.98 115.26 113.72 3iyl n ASN 976 Ca 0.07 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.94 3iyl n ASN 976 Cb 0.47 -0.06 0.02 0.00 -1.54 0.00 0.00 39.78 38.67 3iyl n ASN 976 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3iyl s VAL 977 N -0.39 2.37 -0.01 2.41 1.01 -1.04 -2.67 120.40 122.07 3iyl s VAL 977 Ca 0.00 0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.32 3iyl s VAL 977 Cb 0.00 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 3iyl s VAL 977 CO 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 175.10 174.97 3iyl s ALA 978 N -1.31 1.22 0.31 5.51 0.00 0.11 -3.04 121.76 124.56 3iyl s ALA 978 Ca 0.64 -0.63 -0.09 0.00 0.00 0.00 0.00 51.96 51.89 3iyl s ALA 978 Cb -0.39 -0.32 -0.06 0.00 0.00 0.00 0.00 23.12 22.35 3iyl s ALA 978 CO 0.48 0.30 0.63 -0.98 0.00 0.00 0.00 175.76 176.19 3iyl s ARG 979 N -0.33 3.75 0.00 0.00 1.70 -1.26 -2.62 118.95 120.19 3iyl s ARG 979 Ca 0.05 0.26 0.00 0.00 -0.47 0.00 0.00 55.73 55.57 3iyl s ARG 979 Cb -0.06 -2.55 0.00 0.00 -0.57 0.00 0.00 34.95 31.77 3iyl s ARG 979 CO -0.00 0.16 0.00 0.41 -1.08 0.00 0.00 175.30 174.79 3iyl n GLY 980 N -0.79 -0.28 3.74 3.88 0.00 -0.25 -4.41 105.19 107.09 3iyl n GLY 980 Ca 0.00 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 3iyl n GLY 980 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3iyl s ASN 981 N -1.99 4.43 -0.23 1.61 -0.87 -1.25 -4.61 114.94 112.04 3iyl s ASN 981 Ca 0.00 2.12 -0.06 0.00 -1.57 0.00 0.00 52.86 53.35 3iyl s ASN 981 Cb 0.00 -2.56 -0.03 0.00 -0.02 0.00 0.00 41.25 38.64 3iyl s ASN 981 CO 0.00 -2.09 0.04 -0.22 -2.57 0.00 0.00 177.10 172.25 3iyl s LEU 982 N -5.34 3.35 0.24 0.60 0.20 -0.92 -1.76 118.68 115.06 3iyl s LEU 982 Ca 0.69 -0.20 -0.14 0.00 0.69 0.00 0.00 54.13 55.16 3iyl s LEU 982 Cb -0.23 -1.87 -0.08 0.00 -0.43 0.00 0.00 46.19 43.57 3iyl s LEU 982 CO 0.47 0.01 0.64 -0.31 -0.29 0.00 0.00 176.35 176.87 3iyl s TYR 983 N 1.32 3.47 -0.10 5.38 2.02 0.24 -1.82 117.35 127.86 3iyl s TYR 983 Ca 0.04 1.10 0.15 0.00 -0.37 0.00 0.00 57.07 57.99 3iyl s TYR 983 Cb -0.15 -2.43 0.22 0.00 -0.40 0.00 0.00 41.96 39.21 3iyl s TYR 983 CO 0.02 0.25 1.11 1.28 -1.57 0.00 0.00 175.55 176.64 3iyl n LEU 984 N 0.09 2.03 -4.72 -1.29 4.77 -0.74 -3.16 117.00 113.97 3iyl n LEU 984 Ca 0.00 -2.71 -0.42 0.00 -0.03 0.00 0.00 56.01 52.85 3iyl n LEU 984 Cb 0.52 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3iyl n LEU 984 CO 0.43 0.63 1.30 0.68 -1.33 0.00 0.00 177.39 179.10 3iyl s VAL 985 N -2.34 2.23 0.10 4.08 -7.23 -1.19 -4.50 120.40 111.55 3iyl s VAL 985 Ca 0.25 0.17 -0.30 0.00 -1.81 0.00 0.00 61.98 60.29 3iyl s VAL 985 Cb 0.22 -3.11 -0.06 0.00 0.56 0.00 0.00 36.38 33.98 3iyl s VAL 985 CO 0.02 0.02 1.16 -1.58 -0.31 0.00 0.00 175.10 174.40 3iyl s GLN 986 N 0.91 4.49 -0.18 4.82 -0.44 -1.26 -4.47 119.66 123.53 3iyl s GLN 986 Ca 0.71 1.74 -0.01 0.00 -2.50 0.00 0.00 55.36 55.30 3iyl s GLN 986 Cb -0.47 -3.32 0.05 0.00 -1.64 0.00 0.00 33.01 27.62 3iyl s GLN 986 CO 0.34 -0.13 -0.01 -0.08 0.50 0.00 0.00 175.29 175.90 3iyl s THR 987 N 0.58 0.87 -1.76 -0.34 -1.32 -0.17 -4.94 115.64 108.56 3iyl s THR 987 Ca 0.55 -0.61 0.10 0.00 -1.21 0.00 0.00 61.69 60.52 3iyl s THR 987 Cb -0.29 -1.19 0.33 0.00 -1.51 0.00 0.00 72.50 69.84 3iyl s THR 987 CO 0.31 -0.02 1.23 0.00 -2.21 0.00 0.00 174.62 173.93 3iyl n ALA 988 N 4.94 2.57 -1.61 11.08 0.00 -1.26 -0.78 120.51 135.45 3iyl n ALA 988 Ca -0.10 -0.67 -0.39 0.00 0.00 0.00 0.00 53.44 52.28 3iyl n ALA 988 Cb 0.47 -0.99 0.04 0.00 0.00 0.00 0.00 19.45 18.97 3iyl n ALA 988 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3iyl n THR 989 N 0.49 3.23 -0.26 0.00 5.66 -1.26 -4.50 114.28 117.64 3iyl n THR 989 Ca 0.12 -0.50 0.06 0.00 -3.05 0.00 0.00 64.05 60.68 3iyl n THR 989 Cb 0.37 -1.16 0.17 0.00 -1.55 0.00 0.00 70.33 68.16 3iyl n THR 989 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 3iyl n ASN 990 N -0.32 3.06 0.00 1.09 2.85 -1.26 -3.71 115.26 116.96 3iyl n ASN 990 Ca 0.12 -2.10 0.00 0.00 -0.11 0.00 0.00 54.58 52.49 3iyl n ASN 990 Cb 0.45 -0.27 0.00 0.00 1.24 0.00 0.00 39.78 41.20 3iyl n ASN 990 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3iyl n GLY 991 N 0.46 1.19 3.51 8.20 0.00 -1.26 -4.64 105.19 112.65 3iyl n GLY 991 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3iyl n GLY 991 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3iyl s ASN 992 N -1.00 4.14 0.04 1.61 3.84 -1.26 -5.04 114.94 117.27 3iyl s ASN 992 Ca 0.00 -0.30 0.01 0.00 0.21 0.00 0.00 52.86 52.77 3iyl s ASN 992 Cb 0.00 -0.81 -0.03 0.00 -0.55 0.00 0.00 41.25 39.87 3iyl s ASN 992 CO 0.00 0.27 -0.05 0.86 -2.79 0.00 0.00 177.10 175.39 3iyl s TRP 993 N -0.95 0.50 -0.40 0.43 -0.00 -1.26 -5.08 118.94 112.19 3iyl s TRP 993 Ca 0.16 -0.67 0.00 0.00 -0.00 0.00 0.00 56.10 55.59 3iyl s TRP 993 Cb -0.11 -0.33 0.25 0.00 -0.00 0.00 0.00 33.47 33.28 3iyl s TRP 993 CO 0.06 -0.19 1.07 0.45 -0.00 0.00 0.00 176.95 178.34 3iyl n SER 994 N 1.07 -2.00 -0.32 5.86 2.88 -1.26 -4.59 113.62 115.26 3iyl n SER 994 Ca -0.20 -2.25 0.28 0.00 -1.33 0.00 0.00 58.87 55.37 3iyl n SER 994 Cb 0.57 1.15 0.53 0.00 -0.75 0.00 0.00 64.21 65.71 3iyl n SER 994 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3iyl h PRO 995 N 3.70 0.09 0.00 -1.46 0.11 -1.87 -3.00 132.00 129.56 3iyl h PRO 995 Ca -0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3iyl h PRO 995 Cb 1.14 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3iyl h PRO 995 CO -0.00 0.06 0.00 -1.33 -0.21 0.00 0.00 178.00 176.51 3iyl n MET 996 N -5.22 0.00 -3.36 1.05 2.81 -1.26 -2.07 117.12 109.07 3iyl n MET 996 Ca 0.35 0.09 -0.45 0.00 -1.81 0.00 0.00 57.70 55.88 3iyl n MET 996 Cb 1.16 -0.80 -0.01 0.00 -0.71 0.00 0.00 33.22 32.86 3iyl n MET 996 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3iyl s ALA 997 N -2.32 4.51 -0.02 3.04 0.00 -1.14 -3.12 121.76 122.71 3iyl s ALA 997 Ca 0.00 -3.68 -0.30 0.00 0.00 0.00 0.00 51.96 47.97 3iyl s ALA 997 Cb 0.00 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 3iyl s ALA 997 CO 0.00 -2.22 1.32 -1.25 0.00 0.00 0.00 175.76 173.61 3iyl s PRO 998 N -0.83 4.31 0.07 0.00 0.04 -1.18 -4.89 135.00 132.52 3iyl s PRO 998 Ca 0.27 1.85 -0.16 0.00 0.04 0.00 0.00 61.00 63.00 3iyl s PRO 998 Cb -0.10 -3.57 -0.17 0.00 0.04 0.00 0.00 34.50 30.70 3iyl s PRO 998 CO -0.08 -0.53 1.26 0.28 0.04 0.00 0.00 177.00 177.97 3iyl h VAL 999 N 4.95 1.33 -3.86 -0.36 2.07 -1.96 -3.46 116.25 114.96 3iyl h VAL 999 Ca -0.36 -1.88 -0.54 0.00 0.82 0.00 0.00 66.70 64.73 3iyl h VAL 999 Cb 1.17 2.10 0.19 0.00 -1.52 0.00 0.00 31.29 33.24 3iyl h VAL 999 CO 0.89 0.58 -0.00 0.00 0.02 0.00 0.00 177.57 179.06 3iyl n ALA 1000N -2.57 -0.92 -1.77 1.67 0.00 -1.26 -4.94 120.51 110.73 3iyl n ALA 1000Ca -0.08 -0.40 -0.39 0.00 0.00 0.00 0.00 53.44 52.57 3iyl n ALA 1000Cb 0.66 -2.08 -0.04 0.00 0.00 0.00 0.00 19.45 18.00 3iyl n ALA 1000CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iyl s ALA 1001N -2.20 3.31 -0.21 0.00 0.00 -1.26 -4.91 121.76 116.49 3iyl s ALA 1001Ca 0.68 0.92 -0.39 0.00 0.00 0.00 0.00 51.96 53.17 3iyl s ALA 1001Cb -0.28 -3.35 -0.18 0.00 0.00 0.00 0.00 23.12 19.32 3iyl s ALA 1001CO 0.56 -0.30 1.18 -2.30 0.00 0.00 0.00 175.76 174.90 3iyl n PRO 1002N 0.69 0.00 -0.38 0.00 -0.01 -1.26 -4.73 135.00 129.32 3iyl n PRO 1002Ca 0.01 0.00 0.35 0.00 -0.01 0.00 0.00 63.50 63.85 3iyl n PRO 1002Cb 0.46 -1.34 0.62 0.00 -0.01 0.00 0.00 33.50 33.23 3iyl n PRO 1002CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 175.50 173.19 3iyl n PRO 1003N 2.39 -0.05 0.00 0.52 -0.03 -1.26 -4.52 135.00 132.05 3iyl n PRO 1003Ca 0.23 1.33 0.00 0.00 -0.03 0.00 0.00 63.50 65.03 3iyl n PRO 1003Cb 0.01 -2.47 0.00 0.00 -0.03 0.00 0.00 33.50 31.01 3iyl n PRO 1003CO 0.00 0.00 0.00 1.97 -0.03 0.00 0.00 175.50 177.44 3iyl n PHE 1004N -5.06 0.00 -1.23 6.00 -1.74 -1.26 -5.17 117.46 109.00 3iyl n PHE 1004Ca 0.39 0.00 -0.32 0.00 -0.56 0.00 0.00 57.45 56.95 3iyl n PHE 1004Cb 1.39 0.00 0.11 0.00 1.52 0.00 0.00 39.48 42.50 3iyl n PHE 1004CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3iyl s VAL 1005N 0.00 2.60 0.09 1.97 0.11 -1.26 -4.95 120.40 118.95 3iyl s VAL 1005Ca 0.00 0.24 -0.30 0.00 -2.93 0.00 0.00 61.98 58.98 3iyl s VAL 1005Cb 0.00 -2.62 -0.14 0.00 -1.53 0.00 0.00 36.38 32.08 3iyl s VAL 1005CO 0.00 -0.21 1.63 -0.09 -3.33 0.00 0.00 175.10 173.10 3iyl h ARG 1006N -0.88 -0.67 -0.28 1.54 2.43 -2.00 -2.65 114.38 111.86 3iyl h ARG 1006Ca -0.45 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 3iyl h ARG 1006Cb 1.27 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 3iyl h ARG 1006CO 0.48 -0.45 0.00 0.41 -1.51 0.00 0.00 179.97 178.90 3iyl n GLY 1007N -1.43 -0.01 1.78 2.80 0.00 -1.26 -4.83 105.19 102.24 3iyl n GLY 1007Ca -0.10 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 3iyl n GLY 1007CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iyl n GLY 1008N 0.56 -2.98 3.69 -0.02 0.00 -1.00 -4.98 105.19 100.46 3iyl n GLY 1008Ca 0.04 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 3iyl n GLY 1008CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iyl s PRO 1009N -4.24 4.31 0.00 1.61 0.04 -1.26 -3.87 135.00 131.59 3iyl s PRO 1009Ca 0.37 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.22 3iyl s PRO 1009Cb -0.04 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.92 3iyl s PRO 1009CO 0.29 -0.52 0.00 0.09 0.04 0.00 0.00 177.00 176.90 3iyl n ASN 1010N 5.33 0.00 -4.73 6.66 5.03 -1.26 -5.00 115.26 121.28 3iyl n ASN 1010Ca 0.12 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.16 3iyl n ASN 1010Cb 0.45 -0.13 -0.04 0.00 -1.02 0.00 0.00 39.78 39.05 3iyl n ASN 1010CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3iyl s VAL 1011N -1.73 3.79 -0.11 2.41 0.11 -1.25 -4.75 120.40 118.87 3iyl s VAL 1011Ca 0.00 1.46 0.02 0.00 -2.93 0.00 0.00 61.98 60.53 3iyl s VAL 1011Cb 0.00 -3.93 -0.01 0.00 -1.53 0.00 0.00 36.38 30.90 3iyl s VAL 1011CO 0.00 0.21 -0.16 -0.13 -3.33 0.00 0.00 175.10 171.69 3iyl s ARG 1012N 0.02 3.11 0.09 1.54 3.00 -1.16 -4.88 118.95 120.67 3iyl s ARG 1012Ca 0.53 -0.73 -0.30 0.00 0.00 0.00 0.00 55.73 55.23 3iyl s ARG 1012Cb -0.31 -2.50 -0.05 0.00 0.00 0.00 0.00 34.95 32.09 3iyl s ARG 1012CO 0.34 0.30 1.03 0.08 0.00 0.00 0.00 175.30 177.05 3iyl s VAL 1013N 0.11 4.40 -0.02 3.52 1.01 -1.26 -2.31 120.40 125.85 3iyl s VAL 1013Ca -0.08 1.88 -0.30 0.00 0.00 0.00 0.00 61.98 63.48 3iyl s VAL 1013Cb -0.15 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 3iyl s VAL 1013CO 0.05 0.23 1.15 0.54 0.00 0.00 0.00 175.10 177.08 3iyl s VAL 1014N 0.39 4.33 0.75 2.92 0.11 -1.03 -1.40 120.40 126.47 3iyl s VAL 1014Ca 0.51 1.66 -0.12 0.00 -2.93 0.00 0.00 61.98 61.09 3iyl s VAL 1014Cb -0.25 -4.06 0.05 0.00 -1.53 0.00 0.00 36.38 30.59 3iyl s VAL 1014CO 0.30 0.05 1.12 -0.83 -3.33 0.00 0.00 175.10 172.42 3iyl s GLY 1015N 1.26 1.91 0.56 6.54 0.00 -1.11 -4.55 107.32 111.94 3iyl s GLY 1015Ca 0.55 0.48 -0.16 0.00 0.00 0.00 0.00 44.72 45.60 3iyl s GLY 1015CO 0.24 0.85 -0.27 -2.13 0.00 0.00 0.00 173.10 171.80 3iyl n ARG 1016N -3.18 0.00 0.00 2.90 3.00 -1.26 -0.45 116.66 117.67 3iyl n ARG 1016Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.95 3iyl n ARG 1016Cb 0.52 -0.90 0.00 0.00 0.00 0.00 0.00 32.46 32.08 3iyl n ARG 1016CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3iyl n PHE 1017N -1.58 0.00 -3.60 -0.14 3.01 -1.26 -4.39 117.46 109.51 3iyl n PHE 1017Ca 0.05 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.30 3iyl n PHE 1017Cb 0.44 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.92 3iyl n PHE 1017CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3iyl n GLY 1018N 0.00 -1.20 3.56 1.37 0.00 0.40 -4.64 105.19 104.68 3iyl n GLY 1018Ca 0.00 0.52 -0.40 0.00 0.00 0.00 0.00 46.02 46.14 3iyl n GLY 1018CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iyl s THR 1019N -3.13 5.17 0.29 2.61 2.01 -1.26 -4.88 115.64 116.45 3iyl s THR 1019Ca 0.13 0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.98 3iyl s THR 1019Cb -0.05 -3.79 -0.10 0.00 0.01 0.00 0.00 72.50 68.57 3iyl s THR 1019CO 0.86 -0.04 1.21 -0.63 -0.69 0.00 0.00 174.62 175.33 3iyl s ILE 1020N 2.02 3.14 -0.36 1.82 -1.09 -1.26 -1.28 121.20 124.19 3iyl s ILE 1020Ca 0.12 1.11 0.00 0.00 -2.23 0.00 0.00 60.65 59.65 3iyl s ILE 1020Cb -0.16 -3.71 0.09 0.00 -1.58 0.00 0.00 42.46 37.10 3iyl s ILE 1020CO 0.11 0.25 0.10 0.68 -1.23 0.00 0.00 174.94 174.86 3iyl s VAL 1021N -0.96 2.82 0.47 2.92 -7.23 0.70 -4.91 120.40 114.22 3iyl s VAL 1021Ca 0.48 -2.04 -0.23 0.00 -1.81 0.00 0.00 61.98 58.38 3iyl s VAL 1021Cb -0.36 -2.92 -0.08 0.00 0.56 0.00 0.00 36.38 33.58 3iyl s VAL 1021CO 0.46 -0.53 1.16 -2.65 -0.31 0.00 0.00 175.10 173.22 3iyl n PRO 1022N 4.47 1.56 -4.04 4.82 -0.02 -1.26 -2.98 135.00 137.54 3iyl n PRO 1022Ca -0.02 0.57 -0.31 0.00 -2.02 0.00 0.00 63.50 61.71 3iyl n PRO 1022Cb 0.42 -2.29 -0.16 0.00 -0.02 0.00 0.00 33.50 31.45 3iyl n PRO 1022CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3iyl s ARG 1023N -2.36 2.46 0.61 -0.52 3.52 -1.26 -4.93 118.95 116.48 3iyl s ARG 1023Ca 0.66 -0.66 -0.18 0.00 -0.13 0.00 0.00 55.73 55.42 3iyl s ARG 1023Cb -0.49 -2.26 -0.06 0.00 -1.56 0.00 0.00 34.95 30.58 3iyl s ARG 1023CO 0.54 -0.25 0.67 -2.30 -0.81 0.00 0.00 175.30 173.16 3iyl n PRO 1024N 4.72 0.58 0.00 5.12 -0.02 -1.26 -4.53 135.00 139.61 3iyl n PRO 1024Ca -0.18 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3iyl n PRO 1024Cb 0.50 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 3iyl n PRO 1024CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3iyl n ASN 1025N -0.13 -1.83 -0.23 2.55 5.15 -1.26 -4.17 115.26 115.34 3iyl n ASN 1025Ca 0.12 0.00 0.03 0.00 -0.60 0.00 0.00 54.58 54.14 3iyl n ASN 1025Cb 0.48 0.00 0.15 0.00 -0.53 0.00 0.00 39.78 39.88 3iyl n ASN 1025CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 3iyl h GLY 1026N 0.00 0.95 -4.70 8.20 0.00 -2.07 -3.45 103.07 101.99 3iyl h GLY 1026Ca 0.00 -0.06 -0.63 0.00 0.00 0.00 0.00 47.33 46.64 3iyl h GLY 1026CO 0.00 -0.14 -0.30 1.04 0.00 0.00 0.00 176.54 177.15 3iyl n LEU 1027N -5.10 -0.75 -4.83 3.11 4.32 -1.26 -4.94 117.00 107.55 3iyl n LEU 1027Ca 0.12 1.01 -0.33 0.00 -0.02 0.00 0.00 56.01 56.79 3iyl n LEU 1027Cb 0.39 -0.83 -0.07 0.00 -1.62 0.00 0.00 43.42 41.29 3iyl n LEU 1027CO 0.16 -2.33 0.57 -1.83 -1.22 0.00 0.00 177.39 172.74 3iyl s GLU 1028N -0.60 4.16 0.19 3.23 4.04 -1.26 -4.53 118.70 123.93 3iyl s GLU 1028Ca 0.64 0.97 -0.33 0.00 0.04 0.00 0.00 54.97 56.29 3iyl s GLU 1028Cb -0.92 -2.29 -0.14 0.00 0.02 0.00 0.00 34.13 30.81 3iyl s GLU 1028CO 0.50 0.05 1.51 -2.30 -1.84 0.00 0.00 175.26 173.18 3iyl n PRO 1029N -0.50 2.10 -4.70 -4.83 -0.02 -1.26 -4.65 135.00 121.14 3iyl n PRO 1029Ca 0.06 0.75 -0.26 0.00 -2.02 0.00 0.00 63.50 62.03 3iyl n PRO 1029Cb 0.54 -2.48 -0.14 0.00 -0.02 0.00 0.00 33.50 31.39 3iyl n PRO 1029CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3iyl s GLN 1030N 0.39 1.43 0.50 -0.52 -2.07 -1.16 -4.32 119.66 113.92 3iyl s GLN 1030Ca 0.75 -0.90 -0.20 0.00 -1.82 0.00 0.00 55.36 53.19 3iyl s GLN 1030Cb -0.67 -1.51 -0.08 0.00 -1.09 0.00 0.00 33.01 29.66 3iyl s GLN 1030CO 0.43 0.39 1.06 -1.17 -1.32 0.00 0.00 175.29 174.68 3iyl s LEU 1031N -1.05 3.81 -0.24 2.60 2.96 -0.69 -0.21 118.68 125.86 3iyl s LEU 1031Ca 0.07 1.98 -0.25 0.00 -0.22 0.00 0.00 54.13 55.71 3iyl s LEU 1031Cb -0.09 -4.56 -0.00 0.00 0.50 0.00 0.00 46.19 42.04 3iyl s LEU 1031CO 0.01 -0.90 0.86 -0.51 -1.32 0.00 0.00 176.35 174.49 3iyl s ILE 1032N -1.96 4.82 0.77 6.68 1.10 -0.40 -1.28 121.20 130.94 3iyl s ILE 1032Ca 0.68 1.63 -0.11 0.00 -0.51 0.00 0.00 60.65 62.34 3iyl s ILE 1032Cb -0.18 -4.14 0.06 0.00 0.15 0.00 0.00 42.46 38.35 3iyl s ILE 1032CO 0.22 -0.08 1.10 -0.62 -2.11 0.00 0.00 174.94 173.45 3iyl s ASP 1033N 1.32 4.42 0.19 4.50 2.15 -1.24 -2.73 116.67 125.28 3iyl s ASP 1033Ca 0.36 1.89 0.00 0.00 0.43 0.00 0.00 52.55 55.23 3iyl s ASP 1033Cb -0.15 -2.53 0.11 0.00 -0.30 0.00 0.00 42.92 40.05 3iyl s ASP 1033CO 0.07 -2.09 1.47 -0.78 -0.17 0.00 0.00 175.17 173.67 3iyl h ASP 1034N -1.05 0.43 0.00 -0.34 3.58 -1.47 -1.36 116.42 116.20 3iyl h ASP 1034Ca -0.44 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 56.74 3iyl h ASP 1034Cb 1.24 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.16 3iyl h ASP 1034CO 0.51 0.98 0.00 0.61 -2.88 0.00 0.00 179.24 178.46 3iyl n GLY 1035N 0.46 -0.48 3.64 -0.78 0.00 -1.26 -4.72 105.19 102.05 3iyl n GLY 1035Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3iyl n GLY 1035CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3iyl n ASN 1036N -0.83 0.00 -4.58 1.61 5.15 -0.52 -4.99 115.26 111.11 3iyl n ASN 1036Ca 0.08 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.64 3iyl n ASN 1036Cb 0.03 -0.01 -0.07 0.00 -0.53 0.00 0.00 39.78 39.21 3iyl n ASN 1036CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3iyl s VAL 1037N -1.74 4.93 0.04 3.44 0.11 -1.26 -4.60 120.40 121.32 3iyl s VAL 1037Ca 0.00 0.61 -0.36 0.00 -2.93 0.00 0.00 61.98 59.29 3iyl s VAL 1037Cb 0.00 -4.03 -0.16 0.00 -1.53 0.00 0.00 36.38 30.66 3iyl s VAL 1037CO 0.00 -0.25 1.49 -0.81 -3.33 0.00 0.00 175.10 172.20 3iyl n PRO 1038N 5.94 1.45 -4.16 1.54 -0.04 -1.26 -3.66 135.00 134.81 3iyl n PRO 1038Ca -0.02 0.52 -0.27 0.00 -0.04 0.00 0.00 63.50 63.69 3iyl n PRO 1038Cb 0.49 -2.22 -0.04 0.00 -0.04 0.00 0.00 33.50 31.69 3iyl n PRO 1038CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3iyl s ARG 1039N 1.27 2.24 0.14 0.54 1.81 -0.40 -4.83 118.95 119.72 3iyl s ARG 1039Ca 0.86 -2.06 0.02 0.00 -1.72 0.00 0.00 55.73 52.83 3iyl s ARG 1039Cb -0.89 -1.93 -0.04 0.00 -0.45 0.00 0.00 34.95 31.64 3iyl s ARG 1039CO 0.48 -0.42 0.27 0.16 -0.68 0.00 0.00 175.30 175.11 3iyl s ASP 1040N -4.08 6.32 0.07 0.23 -4.77 -1.26 -1.71 116.67 111.47 3iyl s ASP 1040Ca 0.29 0.17 -0.27 0.00 -3.30 0.00 0.00 52.55 49.44 3iyl s ASP 1040Cb 0.00 -1.90 -0.17 0.00 -1.09 0.00 0.00 42.92 39.76 3iyl s ASP 1040CO 0.17 0.07 1.64 0.40 0.70 0.00 0.00 175.17 178.14 3iyl h ILE 1041N 1.69 0.73 -1.64 2.11 2.04 -1.90 -3.44 117.51 117.10 3iyl h ILE 1041Ca -0.48 -0.09 -0.72 0.00 1.00 0.00 0.00 64.86 64.58 3iyl h ILE 1041Cb 1.19 0.78 0.02 0.00 -0.74 0.00 0.00 36.82 38.06 3iyl h ILE 1041CO 0.69 0.02 0.93 0.00 0.00 0.00 0.00 178.15 179.79 3iyl n ALA 1042N -2.28 -0.02 0.00 1.87 0.00 -1.26 -4.40 120.51 114.41 3iyl n ALA 1042Ca -0.10 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.71 3iyl n ALA 1042Cb 0.19 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.37 3iyl n ALA 1042CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iyl n GLY 1043N 4.19 0.27 3.15 0.00 0.00 -1.09 -5.00 105.19 106.72 3iyl n GLY 1043Ca 0.26 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 3iyl n GLY 1043CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3iyl s ASP 1044N -4.00 0.01 0.21 1.61 -4.77 -1.26 -1.38 116.67 107.09 3iyl s ASP 1044Ca 0.00 0.82 0.06 0.00 -3.30 0.00 0.00 52.55 50.12 3iyl s ASP 1044Cb 0.00 1.08 -0.04 0.00 -1.09 0.00 0.00 42.92 42.87 3iyl s ASP 1044CO 0.00 -0.24 0.20 0.26 0.70 0.00 0.00 175.17 176.09 3iyl s TRP 1045N 2.53 3.18 -0.34 2.11 0.52 -0.97 -2.97 118.94 123.00 3iyl s TRP 1045Ca -0.00 -0.05 -0.01 0.00 0.02 0.00 0.00 56.10 56.05 3iyl s TRP 1045Cb -0.12 -1.47 0.08 0.00 -1.15 0.00 0.00 33.47 30.80 3iyl s TRP 1045CO -0.11 0.51 0.07 0.08 0.02 0.00 0.00 176.95 177.52 3iyl s VAL 1046N -1.96 2.97 -0.70 4.03 1.01 -0.98 -0.54 120.40 124.22 3iyl s VAL 1046Ca 0.32 -1.74 -0.19 0.00 0.00 0.00 0.00 61.98 60.37 3iyl s VAL 1046Cb -0.09 -2.88 0.12 0.00 0.00 0.00 0.00 36.38 33.53 3iyl s VAL 1046CO 0.25 -0.36 0.84 -0.31 0.00 0.00 0.00 175.10 175.52 3iyl s TYR 1047N 1.16 3.06 0.09 5.22 1.51 -0.95 -2.47 117.35 124.97 3iyl s TYR 1047Ca 0.01 -1.10 -0.31 0.00 -1.01 0.00 0.00 57.07 54.66 3iyl s TYR 1047Cb -0.21 -4.09 -0.10 0.00 -0.11 0.00 0.00 41.96 37.45 3iyl s TYR 1047CO -0.03 -1.36 1.81 -1.25 -1.11 0.00 0.00 175.55 173.61 3iyl s PRO 1048N 2.62 4.15 0.53 -1.71 0.04 -1.26 -0.88 135.00 138.49 3iyl s PRO 1048Ca 0.18 2.53 0.48 0.00 0.04 0.00 0.00 61.00 64.23 3iyl s PRO 1048Cb -0.17 -3.69 1.67 0.00 0.04 0.00 0.00 34.50 32.34 3iyl s PRO 1048CO 0.02 -0.84 1.52 0.45 0.04 0.00 0.00 177.00 178.19 3iyl n SER 1049N 5.98 0.02 -0.16 6.66 2.88 -0.86 0.74 113.62 128.88 3iyl n SER 1049Ca 0.18 1.01 -0.07 0.00 -1.33 0.00 0.00 58.87 58.65 3iyl n SER 1049Cb 0.39 -0.50 0.02 0.00 -0.75 0.00 0.00 64.21 63.36 3iyl n SER 1049CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3iyl h ASP 1050N 0.00 0.56 -0.02 -3.46 5.19 -1.85 -0.90 116.42 115.93 3iyl h ASP 1050Ca 0.91 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 57.29 3iyl h ASP 1050Cb 3.60 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 42.97 3iyl h ASP 1050CO -0.06 0.42 -0.02 0.58 -3.12 0.00 0.00 179.24 177.05 3iyl h VAL 1051N 0.65 1.36 -0.92 -1.35 2.07 -0.02 -3.08 116.25 114.96 3iyl h VAL 1051Ca 0.18 -1.08 0.20 0.00 0.82 0.00 0.00 66.70 66.82 3iyl h VAL 1051Cb -0.06 2.04 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 3iyl h VAL 1051CO -0.04 0.29 0.60 0.25 0.02 0.00 0.00 177.57 178.69 3iyl h LEU 1052N -0.39 0.45 -0.03 2.57 5.85 -1.33 0.93 115.31 123.37 3iyl h LEU 1052Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3iyl h LEU 1052Cb 0.47 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3iyl h LEU 1052CO 0.00 0.18 0.00 0.00 -0.34 0.00 0.00 178.44 178.28 3iyl n GLN 1053N -4.54 0.09 -1.81 1.25 6.02 -0.36 -2.55 117.38 115.49 3iyl n GLN 1053Ca 0.20 0.10 -0.28 0.00 -0.01 0.00 0.00 57.00 57.01 3iyl n GLN 1053Cb 0.68 -1.61 0.04 0.00 1.02 0.00 0.00 30.24 30.37 3iyl n GLN 1053CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3iyl n VAL 1054N -1.76 2.89 0.00 5.09 0.24 0.32 -2.11 118.33 123.00 3iyl n VAL 1054Ca 0.06 -3.83 0.00 0.00 -2.04 0.00 0.00 64.34 58.53 3iyl n VAL 1054Cb 0.35 -1.15 0.00 0.00 -1.47 0.00 0.00 33.84 31.57 3iyl n VAL 1054CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3iyl n SER 1055N -0.77 0.00 -0.35 -1.34 3.41 -1.22 -4.81 113.62 108.54 3iyl n SER 1055Ca 0.50 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 59.14 3iyl n SER 1055Cb 0.86 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.99 3iyl n SER 1055CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3iyl h VAL 1056N 0.00 1.01 -0.45 -3.33 2.07 -1.74 0.36 116.25 114.18 3iyl h VAL 1056Ca 0.00 -0.36 0.09 0.00 0.82 0.00 0.00 66.70 67.25 3iyl h VAL 1056Cb 0.00 -0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 29.58 3iyl h VAL 1056CO 0.00 0.19 -0.01 0.00 0.02 0.00 0.00 177.57 177.77 3iyl h ALA 1057N 1.46 0.40 -0.02 1.67 0.00 -1.92 0.54 119.26 121.40 3iyl h ALA 1057Ca 0.43 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.37 3iyl h ALA 1057Cb 0.27 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3iyl h ALA 1057CO -0.21 -0.40 -0.53 0.28 0.00 0.00 0.00 179.25 178.40 3iyl h VAL 1058N 0.10 1.38 0.24 0.00 2.07 -1.69 -2.78 116.25 115.56 3iyl h VAL 1058Ca 0.22 -1.81 -0.01 0.00 0.82 0.00 0.00 66.70 65.92 3iyl h VAL 1058Cb 0.33 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 3iyl h VAL 1058CO -0.38 0.52 -0.11 0.15 0.02 0.00 0.00 177.57 177.76 3iyl h PHE 1059N 0.03 -0.29 0.00 1.57 3.57 0.77 -2.96 116.94 119.63 3iyl h PHE 1059Ca -0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3iyl h PHE 1059Cb 0.95 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.78 3iyl h PHE 1059CO 0.00 0.06 -0.01 -0.09 -2.23 0.00 0.00 178.31 176.04 3iyl h ARG 1060N -0.70 0.00 -0.45 1.11 2.43 -0.02 0.14 114.38 116.90 3iyl h ARG 1060Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3iyl h ARG 1060Cb 0.48 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3iyl h ARG 1060CO 0.05 0.01 0.00 -0.25 -1.51 0.00 0.00 179.97 178.27 3iyl n ASP 1061N -3.22 3.34 0.00 -3.80 8.00 -1.05 -4.35 116.55 115.46 3iyl n ASP 1061Ca -0.02 -2.10 0.00 0.00 0.71 0.00 0.00 54.79 53.38 3iyl n ASP 1061Cb 0.12 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 3iyl n ASP 1061CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3iyl n TYR 1062N 0.73 -1.07 -0.03 1.24 4.01 -1.10 -4.91 117.16 116.04 3iyl n TYR 1062Ca 0.16 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.73 3iyl n TYR 1062Cb 0.53 0.42 -0.14 0.00 -0.31 0.00 0.00 39.34 39.85 3iyl n TYR 1062CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 3iyl n VAL 1063N -2.35 1.68 -0.13 -0.72 3.14 -0.85 -3.59 118.33 115.51 3iyl n VAL 1063Ca 0.00 -0.69 -0.06 0.00 -2.96 0.00 0.00 64.34 60.63 3iyl n VAL 1063Cb 0.00 -1.45 0.02 0.00 -1.06 0.00 0.00 33.84 31.35 3iyl n VAL 1063CO 0.00 0.00 0.00 -0.25 -6.46 0.00 0.00 176.83 170.12 3iyl h TRP 1064N 0.04 0.41 -0.29 1.45 -0.00 -0.98 -0.85 115.95 115.72 3iyl h TRP 1064Ca -0.42 0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 58.45 3iyl h TRP 1064Cb 2.02 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.16 31.05 3iyl h TRP 1064CO 0.05 0.22 0.06 -1.35 -0.00 0.00 0.00 178.44 177.42 3iyl h PRO 1065N 0.44 0.47 0.00 2.65 0.11 -1.76 -1.34 132.00 132.57 3iyl h PRO 1065Ca 0.17 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3iyl h PRO 1065Cb 0.06 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3iyl h PRO 1065CO -0.11 0.56 0.12 -0.12 -0.21 0.00 0.00 178.00 178.25 3iyl n MET 1066N -4.66 0.08 -0.06 1.05 1.56 -0.91 -0.98 117.12 113.20 3iyl n MET 1066Ca -0.02 0.54 -0.22 0.00 -0.27 0.00 0.00 57.70 57.73 3iyl n MET 1066Cb 0.20 -1.88 -0.13 0.00 2.15 0.00 0.00 33.22 33.55 3iyl n MET 1066CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 3iyl n VAL 1067N -1.92 1.65 -0.31 1.12 0.31 -0.37 -0.97 118.33 117.83 3iyl n VAL 1067Ca -0.01 -0.50 0.06 0.00 -0.01 0.00 0.00 64.34 63.89 3iyl n VAL 1067Cb 0.14 -1.73 0.27 0.00 -0.91 0.00 0.00 33.84 31.61 3iyl n VAL 1067CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3iyl h LYS 1068N -0.24 0.93 -6.26 5.55 1.57 -0.05 -3.34 116.57 114.73 3iyl h LYS 1068Ca -0.48 -0.06 -0.55 0.00 -1.87 0.00 0.00 60.65 57.70 3iyl h LYS 1068Cb 1.83 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 33.90 3iyl h LYS 1068CO -0.06 0.62 0.27 0.00 -0.57 0.00 0.00 179.45 179.70 3iyl s ALA 1069N -5.87 3.24 0.00 3.86 0.00 -0.80 -4.88 121.76 117.31 3iyl s ALA 1069Ca -0.11 0.37 -0.11 0.00 0.00 0.00 0.00 51.96 52.11 3iyl s ALA 1069Cb 0.21 -3.19 -0.14 0.00 0.00 0.00 0.00 23.12 20.00 3iyl s ALA 1069CO 0.80 -0.20 1.19 0.41 0.00 0.00 0.00 175.76 177.96 3iyl n GLY 1070N 2.99 1.21 0.20 0.00 0.00 -1.25 -3.80 105.19 104.54 3iyl n GLY 1070Ca 0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 45.70 3iyl n GLY 1070CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iyl n ARG 1071N 6.01 0.07 -4.41 1.61 5.12 -1.19 -5.07 116.66 118.80 3iyl n ARG 1071Ca 0.17 0.02 -0.27 0.00 -1.93 0.00 0.00 57.85 55.84 3iyl n ARG 1071Cb 0.15 -0.96 -0.11 0.00 -1.16 0.00 0.00 32.46 30.38 3iyl n ARG 1071CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3iyl s THR 1072N -2.06 2.49 -0.30 0.55 2.01 -0.14 -2.69 115.64 115.50 3iyl s THR 1072Ca -0.04 -2.03 -0.02 0.00 0.31 0.00 0.00 61.69 59.91 3iyl s THR 1072Cb 0.01 -2.21 0.10 0.00 0.01 0.00 0.00 72.50 70.41 3iyl s THR 1072CO 0.06 -0.15 0.11 -0.13 -0.69 0.00 0.00 174.62 173.83 3iyl s ARG 1073N -2.80 0.44 0.73 4.92 0.52 -0.48 -4.50 118.95 117.77 3iyl s ARG 1073Ca 0.22 -0.78 -0.11 0.00 -0.52 0.00 0.00 55.73 54.54 3iyl s ARG 1073Cb -0.08 -1.56 0.03 0.00 0.52 0.00 0.00 34.95 33.86 3iyl s ARG 1073CO 0.11 -1.00 1.08 0.08 0.02 0.00 0.00 175.30 175.60 3iyl s VAL 1074N 1.87 3.55 -0.44 3.52 1.01 -1.26 -2.29 120.40 126.36 3iyl s VAL 1074Ca 0.09 0.50 0.06 0.00 0.00 0.00 0.00 61.98 62.63 3iyl s VAL 1074Cb -0.17 -3.38 0.20 0.00 0.00 0.00 0.00 36.38 33.04 3iyl s VAL 1074CO -0.31 -0.66 0.52 -0.11 0.00 0.00 0.00 175.10 174.54 3iyl n LEU 1075N -3.14 -1.25 -4.75 3.92 7.94 0.30 -1.79 117.00 118.22 3iyl n LEU 1075Ca 0.07 -4.02 -0.39 0.00 -1.11 0.00 0.00 56.01 50.56 3iyl n LEU 1075Cb 0.56 0.64 0.03 0.00 0.53 0.00 0.00 43.42 45.19 3iyl n LEU 1075CO 0.57 1.94 1.02 -0.69 -1.11 0.00 0.00 177.39 179.12 3iyl s VAL 1076N 0.03 2.04 -0.33 1.96 1.01 -0.75 -2.25 120.40 122.11 3iyl s VAL 1076Ca 0.33 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.33 3iyl s VAL 1076Cb 0.08 -3.02 0.07 0.00 0.00 0.00 0.00 36.38 33.51 3iyl s VAL 1076CO -0.15 0.00 0.05 -1.61 0.00 0.00 0.00 175.10 173.39 3iyl s GLU 1077N -2.76 2.16 -0.11 2.72 2.02 -0.05 -2.15 118.70 120.52 3iyl s GLU 1077Ca 0.68 -1.51 0.01 0.00 0.02 0.00 0.00 54.97 54.17 3iyl s GLU 1077Cb -0.42 -3.26 0.02 0.00 0.10 0.00 0.00 34.13 30.57 3iyl s GLU 1077CO 0.51 -0.78 -0.12 -0.51 0.02 0.00 0.00 175.26 174.38 3iyl s LEU 1078N 1.16 1.51 0.15 1.80 1.02 -1.26 -2.03 118.68 121.03 3iyl s LEU 1078Ca 0.00 -0.37 -0.18 0.00 0.02 0.00 0.00 54.13 53.60 3iyl s LEU 1078Cb -0.20 -0.97 0.05 0.00 0.02 0.00 0.00 46.19 45.08 3iyl s LEU 1078CO -0.03 -0.05 1.68 1.23 0.02 0.00 0.00 176.35 179.20 3iyl h GLY 1079N 7.76 0.20 -0.45 -3.19 0.00 -1.93 -3.32 103.07 102.14 3iyl h GLY 1079Ca -0.32 0.12 -0.11 0.00 0.00 0.00 0.00 47.33 47.02 3iyl h GLY 1079CO 0.47 -0.13 -0.10 1.42 0.00 0.00 0.00 176.54 178.20 3iyl n HIS 1080N -5.27 -0.32 0.00 5.60 8.25 -1.26 -1.09 115.22 121.13 3iyl n HIS 1080Ca 0.00 -0.68 0.00 0.00 -0.26 0.00 0.00 57.72 56.78 3iyl n HIS 1080Cb 0.19 0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.39 3iyl n HIS 1080CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 3iyl n TYR 1081N -0.16 0.00 -3.33 4.41 0.18 -1.08 -4.92 117.16 112.27 3iyl n TYR 1081Ca 0.02 0.00 -0.46 0.00 1.88 0.00 0.00 57.90 59.34 3iyl n TYR 1081Cb 0.15 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.06 3iyl n TYR 1081CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3iyl s VAL 1082N -2.00 5.20 0.48 -3.48 1.01 -1.26 0.07 120.40 120.41 3iyl s VAL 1082Ca 0.00 -1.41 -0.14 0.00 0.00 0.00 0.00 61.98 60.43 3iyl s VAL 1082Cb 0.00 -4.28 -0.07 0.00 0.00 0.00 0.00 36.38 32.03 3iyl s VAL 1082CO 0.00 -0.80 0.91 -0.72 0.00 0.00 0.00 175.10 174.48 3iyl s TYR 1083N 1.60 3.47 -0.20 5.22 -0.85 -1.09 -1.83 117.35 123.68 3iyl s TYR 1083Ca 0.03 1.30 -0.04 0.00 -0.52 0.00 0.00 57.07 57.84 3iyl s TYR 1083Cb -0.29 -2.66 0.10 0.00 0.38 0.00 0.00 41.96 39.49 3iyl s TYR 1083CO 0.04 -0.30 0.24 -0.08 -1.52 0.00 0.00 175.55 173.93 3iyl s THR 1084N -2.58 -0.36 0.10 -3.49 -1.32 0.13 -4.81 115.64 103.31 3iyl s THR 1084Ca 0.56 -0.08 0.01 0.00 -1.21 0.00 0.00 61.69 60.97 3iyl s THR 1084Cb -0.10 -0.67 -0.04 0.00 -1.51 0.00 0.00 72.50 70.18 3iyl s THR 1084CO 0.33 -0.17 0.23 -1.48 -2.21 0.00 0.00 174.62 171.32 3iyl s LEU 1085N 2.36 4.29 -0.15 9.08 0.05 -0.66 -2.96 118.68 130.69 3iyl s LEU 1085Ca 0.07 0.19 0.01 0.00 0.05 0.00 0.00 54.13 54.46 3iyl s LEU 1085Cb -0.15 -2.88 0.02 0.00 -2.05 0.00 0.00 46.19 41.12 3iyl s LEU 1085CO -0.12 0.12 -0.17 -1.00 -0.55 0.00 0.00 176.35 174.63 3iyl s HIS 1086N -1.61 2.39 0.29 3.48 0.09 -0.42 -3.87 115.29 115.64 3iyl s HIS 1086Ca 0.34 -1.33 -0.24 0.00 -0.00 0.00 0.00 55.06 53.83 3iyl s HIS 1086Cb -0.12 -1.70 -0.09 0.00 -0.00 0.00 0.00 32.58 30.67 3iyl s HIS 1086CO 0.28 -0.68 0.88 0.71 -0.00 0.00 0.00 174.74 175.93 3iyl s TYR 1087N 1.29 3.69 0.39 1.40 1.51 -1.26 -2.90 117.35 121.48 3iyl s TYR 1087Ca 0.02 1.68 0.06 0.00 -1.01 0.00 0.00 57.07 57.82 3iyl s TYR 1087Cb -0.13 -2.84 -0.02 0.00 -0.11 0.00 0.00 41.96 38.85 3iyl s TYR 1087CO -0.09 0.25 0.20 2.48 -1.11 0.00 0.00 175.55 177.28 3iyl n TYR 1088N 0.62 -0.22 -3.02 2.71 0.18 -0.85 -4.90 117.16 111.68 3iyl n TYR 1088Ca 0.01 -2.77 -0.42 0.00 1.88 0.00 0.00 57.90 56.59 3iyl n TYR 1088Cb 0.50 0.11 -0.06 0.00 -0.38 0.00 0.00 39.34 39.52 3iyl n TYR 1088CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3iyl s ASP 1089N -3.52 6.48 0.00 9.48 1.01 -1.26 -1.09 116.67 127.77 3iyl s ASP 1089Ca 0.29 0.19 0.00 0.00 0.71 0.00 0.00 52.55 53.74 3iyl s ASP 1089Cb 0.01 -2.37 0.00 0.00 1.01 0.00 0.00 42.92 41.58 3iyl s ASP 1089CO 0.20 -0.71 0.86 -0.81 0.21 0.00 0.00 175.17 174.92 3iyl n PRO 1090N 6.32 0.00 0.00 8.23 -0.04 -1.26 -0.64 135.00 147.61 3iyl n PRO 1090Ca 0.01 0.36 0.11 0.00 -0.04 0.00 0.00 63.50 63.94 3iyl n PRO 1090Cb 0.48 -1.62 0.05 0.00 -0.04 0.00 0.00 33.50 32.37 3iyl n PRO 1090CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3iyl n GLN 1091N -1.36 0.95 -3.57 0.54 6.02 -1.26 -0.32 117.38 118.39 3iyl n GLN 1091Ca 0.00 -0.76 -0.41 0.00 -0.01 0.00 0.00 57.00 55.83 3iyl n GLN 1091Cb 0.12 -1.48 -0.08 0.00 1.02 0.00 0.00 30.24 29.82 3iyl n GLN 1091CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3iyl s ILE 1092N -2.57 4.27 -0.59 5.09 1.01 0.19 -4.22 121.20 124.38 3iyl s ILE 1092Ca 0.18 -2.18 -0.28 0.00 0.00 0.00 0.00 60.65 58.37 3iyl s ILE 1092Cb 0.18 -3.78 -0.11 0.00 0.01 0.00 0.00 42.46 38.76 3iyl s ILE 1092CO 0.61 -0.84 2.46 -1.20 0.00 0.00 0.00 174.94 175.97 3iyl n SER 1093N 4.42 1.84 -3.87 3.58 7.64 -1.26 -4.86 113.62 121.12 3iyl n SER 1093Ca -0.01 -0.24 -0.20 0.00 1.01 0.00 0.00 58.87 59.44 3iyl n SER 1093Cb 0.41 -1.40 -0.16 0.00 -1.01 0.00 0.00 64.21 62.05 3iyl n SER 1093CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3iyl s LEU 1094N 10.90 1.22 0.51 -3.43 2.96 -1.26 -4.93 118.68 124.65 3iyl s LEU 1094Ca 1.09 -0.11 -0.22 0.00 -0.22 0.00 0.00 54.13 54.67 3iyl s LEU 1094Cb -0.50 -0.41 -0.06 0.00 0.50 0.00 0.00 46.19 45.72 3iyl s LEU 1094CO 0.34 -0.08 1.22 -0.62 -1.32 0.00 0.00 176.35 175.90 3iyl s ASP 1095N 1.05 5.72 0.03 3.68 -1.08 -1.26 -3.93 116.67 120.89 3iyl s ASP 1095Ca -0.09 2.44 0.22 0.00 -0.52 0.00 0.00 52.55 54.60 3iyl s ASP 1095Cb -0.14 -2.61 -0.04 0.00 -1.46 0.00 0.00 42.92 38.67 3iyl s ASP 1095CO -0.01 -1.23 0.94 -0.62 0.52 0.00 0.00 175.17 174.77 3iyl n GLU 1096N -0.88 0.28 -0.26 4.34 -0.58 -0.37 -4.59 120.64 118.58 3iyl n GLU 1096Ca 0.10 -0.03 0.05 0.00 -0.42 0.00 0.00 57.16 56.86 3iyl n GLU 1096Cb 0.48 -1.57 0.16 0.00 -0.57 0.00 0.00 31.44 29.94 3iyl n GLU 1096CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3iyl h ALA 1097N 2.56 0.77 0.30 0.62 0.00 -1.93 -2.14 119.26 119.44 3iyl h ALA 1097Ca 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3iyl h ALA 1097Cb 0.72 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3iyl h ALA 1097CO 0.00 -0.43 -0.15 -1.35 0.00 0.00 0.00 179.25 177.33 3iyl h PRO 1098N 0.09 -0.39 0.00 0.00 0.11 -2.00 -0.98 132.00 128.83 3iyl h PRO 1098Ca 0.41 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.55 3iyl h PRO 1098Cb 0.73 0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3iyl h PRO 1098CO -0.69 -0.20 0.38 0.82 -0.21 0.00 0.00 178.00 178.10 3iyl h ILE 1099N -0.50 0.00 0.00 4.15 1.08 -1.73 -2.28 117.51 118.23 3iyl h ILE 1099Ca -0.04 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 3iyl h ILE 1099Cb 0.37 0.61 0.00 0.00 -3.07 0.00 0.00 36.82 34.73 3iyl h ILE 1099CO 0.07 0.00 -0.25 0.25 -0.69 0.00 0.00 178.15 177.53 3iyl h LEU 1100N 0.00 0.00 -1.35 1.44 6.46 -0.71 -3.37 115.31 117.78 3iyl h LEU 1100Ca 0.00 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 57.83 3iyl h LEU 1100Cb 0.75 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 3iyl h LEU 1100CO 0.00 0.44 0.66 -0.33 -0.62 0.00 0.00 178.44 178.59 3iyl h GLU 1101N -0.63 0.00 -0.85 1.25 5.08 -0.87 2.54 114.58 121.09 3iyl h GLU 1101Ca 0.00 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.52 3iyl h GLU 1101Cb 0.25 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 3iyl h GLU 1101CO 0.00 0.00 0.56 1.49 -1.00 0.00 0.00 179.01 180.06 3iyl h GLU 1102N 0.00 0.54 0.00 2.33 4.57 -1.58 -0.25 114.58 120.19 3iyl h GLU 1102Ca 0.12 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 3iyl h GLU 1102Cb 1.43 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 3iyl h GLU 1102CO -0.00 0.35 0.00 1.87 -1.18 0.00 0.00 179.01 180.05 3iyl n TRP 1103N -4.53 0.00 -0.24 0.92 -0.00 0.85 -3.56 117.44 110.87 3iyl n TRP 1103Ca 0.17 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.78 3iyl n TRP 1103Cb 0.54 -0.38 0.21 0.00 -0.00 0.00 0.00 31.31 31.68 3iyl n TRP 1103CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 3iyl n LEU 1104N -1.63 -0.08 -0.27 5.87 7.99 -1.11 0.70 117.00 128.47 3iyl n LEU 1104Ca 0.00 1.20 0.09 0.00 -0.01 0.00 0.00 56.01 57.28 3iyl n LEU 1104Cb 0.00 -0.44 0.22 0.00 -0.11 0.00 0.00 43.42 43.09 3iyl n LEU 1104CO 0.00 -1.21 0.91 -1.28 -1.51 0.00 0.00 177.39 174.29 3iyl h SER 1105N 0.00 -0.09 0.77 -1.43 0.87 -1.13 -1.26 113.55 111.28 3iyl h SER 1105Ca 0.43 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 61.17 3iyl h SER 1105Cb 0.89 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 3iyl h SER 1105CO -0.66 -0.12 -0.29 0.29 -0.53 0.00 0.00 176.83 175.51 3iyl n LYS 1106N -5.24 0.04 -2.43 2.24 5.02 0.22 -4.87 118.16 113.15 3iyl n LYS 1106Ca 0.17 0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 56.07 3iyl n LYS 1106Cb 0.56 -1.53 -0.04 0.00 -0.02 0.00 0.00 35.03 34.00 3iyl n LYS 1106CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3iyl s ILE 1107N -3.02 3.42 0.38 -0.18 1.01 -0.48 -4.67 121.20 117.66 3iyl s ILE 1107Ca 0.12 1.40 -0.14 0.00 0.00 0.00 0.00 60.65 62.02 3iyl s ILE 1107Cb 0.17 -3.89 0.06 0.00 0.01 0.00 0.00 42.46 38.81 3iyl s ILE 1107CO 0.63 0.32 0.76 -0.46 0.00 0.00 0.00 174.94 176.19 3iyl n ASN 1108N 1.30 -2.21 -0.03 3.58 6.94 -1.22 -4.86 115.26 118.75 3iyl n ASN 1108Ca -0.00 -2.55 -0.10 0.00 -0.02 0.00 0.00 54.58 51.91 3iyl n ASN 1108Cb 0.44 3.69 -0.04 0.00 -2.36 0.00 0.00 39.78 41.52 3iyl n ASN 1108CO 0.00 0.00 0.00 -0.65 -1.03 0.00 0.00 177.26 175.58 3iyl h PRO 1109N 0.00 0.20 0.00 -0.53 0.11 -1.82 -2.74 132.00 127.23 3iyl h PRO 1109Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3iyl h PRO 1109Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3iyl h PRO 1109CO 0.41 0.13 0.14 0.00 -0.21 0.00 0.00 178.00 178.47 3iyl n ALA 1110N -2.17 0.79 0.00 -0.75 0.00 -1.26 -4.81 120.51 112.31 3iyl n ALA 1110Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3iyl n ALA 1110Cb 0.04 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3iyl n ALA 1110CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iyl n GLY 1111N -1.33 4.16 3.87 0.00 0.00 -1.03 -4.64 105.19 106.22 3iyl n GLY 1111Ca -0.01 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 3iyl n GLY 1111CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iyl s ILE 1112N -1.34 5.15 0.30 -0.61 1.01 -0.97 -3.46 121.20 121.28 3iyl s ILE 1112Ca 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 60.65 60.97 3iyl s ILE 1112Cb 0.00 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 3iyl s ILE 1112CO 0.00 0.29 0.55 -2.16 0.00 0.00 0.00 174.94 173.61 3iyl s PRO 1113N -1.94 3.60 -0.27 2.79 0.04 -1.26 -1.57 135.00 136.39 3iyl s PRO 1113Ca 0.32 -0.07 -0.42 0.00 0.04 0.00 0.00 61.00 60.87 3iyl s PRO 1113Cb -0.14 -2.65 -0.18 0.00 0.04 0.00 0.00 34.50 31.57 3iyl s PRO 1113CO 0.18 0.20 1.55 -2.30 0.04 0.00 0.00 177.00 176.68 3iyl n PRO 1114N -1.09 0.59 -1.65 0.56 -0.02 -1.25 -4.85 135.00 127.29 3iyl n PRO 1114Ca -0.02 0.22 -0.48 0.00 -2.02 0.00 0.00 63.50 61.20 3iyl n PRO 1114Cb 0.54 -1.80 -0.05 0.00 -0.02 0.00 0.00 33.50 32.17 3iyl n PRO 1114CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3iyl n VAL 1115N 3.70 0.03 -3.32 -1.45 0.31 -0.76 -4.51 118.33 112.34 3iyl n VAL 1115Ca 0.26 -0.01 -0.46 0.00 -0.01 0.00 0.00 64.34 64.12 3iyl n VAL 1115Cb 0.06 -1.33 -0.04 0.00 -0.91 0.00 0.00 33.84 31.63 3iyl n VAL 1115CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3iyl s PRO 1116N 0.74 3.19 0.39 5.55 0.04 -1.26 0.19 135.00 143.84 3iyl s PRO 1116Ca 0.80 -1.97 -0.06 0.00 0.04 0.00 0.00 61.00 59.81 3iyl s PRO 1116Cb -0.76 -4.34 -0.05 0.00 0.04 0.00 0.00 34.50 29.39 3iyl s PRO 1116CO 0.41 -1.32 0.68 -0.06 0.04 0.00 0.00 177.00 176.76 3iyl s PHE 1117N 1.11 3.50 -0.37 0.56 2.99 -1.15 -4.89 117.98 119.72 3iyl s PHE 1117Ca 0.08 0.77 0.01 0.00 0.00 0.00 0.00 56.93 57.79 3iyl s PHE 1117Cb -0.23 -2.23 0.11 0.00 0.00 0.00 0.00 43.02 40.67 3iyl s PHE 1117CO -0.01 -0.05 0.14 0.00 -0.00 0.00 0.00 175.22 175.31 3iyl s ILE 1119N 0.98 5.19 -0.03 0.00 1.01 -1.14 -4.79 121.20 122.41 3iyl s ILE 1119Ca 0.13 0.46 -0.30 0.00 0.00 0.00 0.00 60.65 60.94 3iyl s ILE 1119Cb -0.20 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 3iyl s ILE 1119CO -0.12 0.44 0.98 -2.16 0.00 0.00 0.00 174.94 174.08 3iyl s PRO 1120N -1.51 4.52 -0.01 2.79 0.04 -1.26 -2.02 135.00 137.55 3iyl s PRO 1120Ca 0.26 1.40 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 3iyl s PRO 1120Cb -0.14 -3.48 -0.08 0.00 0.04 0.00 0.00 34.50 30.84 3iyl s PRO 1120CO 0.14 -0.12 1.93 0.42 0.04 0.00 0.00 177.00 179.41 3iyl s ILE 1121N 1.28 3.14 -0.33 0.56 1.01 -0.25 -4.47 121.20 122.14 3iyl s ILE 1121Ca 0.51 0.17 -0.36 0.00 0.00 0.00 0.00 60.65 60.97 3iyl s ILE 1121Cb -0.20 -3.12 -0.12 0.00 0.01 0.00 0.00 42.46 39.04 3iyl s ILE 1121CO 0.25 -0.02 2.15 -2.65 0.00 0.00 0.00 174.94 174.66 3iyl n PRO 1122N 7.60 1.13 -2.74 2.79 -0.02 -1.26 -4.44 135.00 138.06 3iyl n PRO 1122Ca 0.20 0.32 -0.41 0.00 -2.02 0.00 0.00 63.50 61.60 3iyl n PRO 1122Cb 0.42 -2.44 -0.05 0.00 -0.02 0.00 0.00 33.50 31.41 3iyl n PRO 1122CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3iyl s GLN 1123N 5.94 4.78 0.06 -0.52 1.11 -1.26 -4.62 119.66 125.15 3iyl s GLN 1123Ca 1.08 1.48 0.08 0.00 0.01 0.00 0.00 55.36 58.01 3iyl s GLN 1123Cb -0.87 -3.33 -0.22 0.00 -1.01 0.00 0.00 33.01 27.58 3iyl s GLN 1123CO 0.50 0.37 1.04 0.28 0.01 0.00 0.00 175.29 177.49 3iyl h VAL 1124N 3.57 1.38 -4.15 1.09 2.07 -1.92 0.22 116.25 118.52 3iyl h VAL 1124Ca -0.44 -3.13 -0.69 0.00 0.82 0.00 0.00 66.70 63.25 3iyl h VAL 1124Cb 1.21 2.70 -0.25 0.00 -1.52 0.00 0.00 31.29 33.43 3iyl h VAL 1124CO 0.70 0.80 -0.80 -0.31 0.02 0.00 0.00 177.57 177.98 3iyl s TYR 1125N -2.66 2.62 -0.29 1.57 1.51 -1.26 -3.18 117.35 115.66 3iyl s TYR 1125Ca -0.02 -0.22 -0.40 0.00 -1.01 0.00 0.00 57.07 55.43 3iyl s TYR 1125Cb 0.09 -1.60 -0.15 0.00 -0.11 0.00 0.00 41.96 40.19 3iyl s TYR 1125CO 0.82 0.14 1.77 -0.35 -1.11 0.00 0.00 175.55 176.83 3iyl n PRO 1126N 2.31 1.14 -4.33 -1.71 -0.04 -1.26 -4.82 135.00 126.29 3iyl n PRO 1126Ca -0.17 0.42 -0.20 0.00 -0.04 0.00 0.00 63.50 63.51 3iyl n PRO 1126Cb 0.52 -2.11 -0.16 0.00 -0.04 0.00 0.00 33.50 31.71 3iyl n PRO 1126CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iyl s ILE 1128N 0.38 3.09 0.60 0.00 1.01 -1.26 -4.93 121.20 120.08 3iyl s ILE 1128Ca -0.06 0.07 -0.17 0.00 0.00 0.00 0.00 60.65 60.49 3iyl s ILE 1128Cb -0.10 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 3iyl s ILE 1128CO 0.01 -0.15 1.10 0.42 0.00 0.00 0.00 174.94 176.32 3iyl s THR 1129N 10.31 3.37 -0.09 2.92 -4.23 -1.26 -4.74 115.64 121.92 3iyl s THR 1129Ca 0.93 0.71 -0.07 0.00 -1.18 0.00 0.00 61.69 62.09 3iyl s THR 1129Cb -0.21 -3.23 -0.04 0.00 1.34 0.00 0.00 72.50 70.35 3iyl s THR 1129CO 0.29 -0.32 0.17 0.00 -0.54 0.00 0.00 174.62 174.22 3iyl s ALA 1130N -2.18 3.88 0.03 3.99 0.00 0.56 -4.94 121.76 123.10 3iyl s ALA 1130Ca 0.68 -0.63 -0.30 0.00 0.00 0.00 0.00 51.96 51.70 3iyl s ALA 1130Cb -0.20 -1.99 -0.07 0.00 0.00 0.00 0.00 23.12 20.86 3iyl s ALA 1130CO 0.35 0.63 1.55 0.50 0.00 0.00 0.00 175.76 178.79 3iyl s ARG 1131N -1.23 4.23 -0.01 0.00 3.52 -1.26 -4.52 118.95 119.68 3iyl s ARG 1131Ca 0.18 2.17 -0.01 0.00 -0.13 0.00 0.00 55.73 57.94 3iyl s ARG 1131Cb -0.12 -3.62 0.00 0.00 -1.56 0.00 0.00 34.95 29.65 3iyl s ARG 1131CO 0.08 -0.68 0.03 -0.98 -0.81 0.00 0.00 175.30 172.94 3iyl s ARG 1132N 2.64 0.10 -0.19 5.12 1.70 -1.24 -4.00 118.95 123.08 3iyl s ARG 1132Ca 0.70 -0.06 -0.14 0.00 -0.47 0.00 0.00 55.73 55.76 3iyl s ARG 1132Cb -0.36 0.04 -0.04 0.00 -0.57 0.00 0.00 34.95 34.02 3iyl s ARG 1132CO 0.30 -0.02 0.31 0.14 -1.08 0.00 0.00 175.30 174.95 3iyl s VAL 1133N -0.24 5.27 0.19 4.99 -7.23 -1.25 -4.29 120.40 117.84 3iyl s VAL 1133Ca -0.03 0.54 0.06 0.00 -1.81 0.00 0.00 61.98 60.75 3iyl s VAL 1133Cb -0.02 -3.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.24 3iyl s VAL 1133CO -0.00 0.32 0.11 -1.00 -0.31 0.00 0.00 175.10 174.22 3iyl s HIS 1134N 0.93 3.04 0.00 2.82 3.76 0.04 -1.24 115.29 124.65 3iyl s HIS 1134Ca 0.16 -0.08 0.00 0.00 -0.15 0.00 0.00 55.06 54.99 3iyl s HIS 1134Cb -0.14 -1.44 0.00 0.00 1.11 0.00 0.00 32.58 32.11 3iyl s HIS 1134CO 0.06 0.53 0.00 0.66 -0.85 0.00 0.00 174.74 175.13 3iyl n TYR 1135N -0.50 0.00 -2.73 1.40 4.01 -1.26 -1.00 117.16 117.08 3iyl n TYR 1135Ca -0.08 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.43 3iyl n TYR 1135Cb 0.56 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.69 3iyl n TYR 1135CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3iyl s ALA 1136N -1.84 4.03 0.00 -0.72 0.00 -1.26 -3.18 121.76 118.79 3iyl s ALA 1136Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 51.96 50.03 3iyl s ALA 1136Cb 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.31 3iyl s ALA 1136CO 0.00 -1.35 0.00 1.97 0.00 0.00 0.00 175.76 176.38 3iyl n PHE 1137N -2.70 0.00 -2.14 0.00 -1.74 -1.19 -4.81 117.46 104.88 3iyl n PHE 1137Ca 0.16 0.00 -0.27 0.00 -0.56 0.00 0.00 57.45 56.78 3iyl n PHE 1137Cb 0.61 0.00 0.06 0.00 1.52 0.00 0.00 39.48 41.67 3iyl n PHE 1137CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 3iyl s THR 1138N -0.93 2.62 -0.14 1.97 -4.23 -0.88 -0.59 115.64 113.46 3iyl s THR 1138Ca 0.00 -0.08 -0.13 0.00 -1.18 0.00 0.00 61.69 60.31 3iyl s THR 1138Cb 0.00 -3.14 -0.24 0.00 1.34 0.00 0.00 72.50 70.46 3iyl s THR 1138CO 0.00 -0.16 0.35 0.77 -0.54 0.00 0.00 174.62 175.03 3iyl h SER 1139N -0.62 0.28 -4.18 3.99 4.64 -1.65 -3.42 113.55 112.60 3iyl h SER 1139Ca -0.45 -0.80 -0.48 0.00 -0.47 0.00 0.00 61.79 59.60 3iyl h SER 1139Cb 1.30 -0.09 0.08 0.00 -0.31 0.00 0.00 62.40 63.37 3iyl h SER 1139CO 0.62 1.71 0.32 -1.61 -0.87 0.00 0.00 176.83 177.01 3iyl s GLU 1140N -2.49 2.59 -0.31 4.77 0.41 -1.26 -4.92 118.70 117.50 3iyl s GLU 1140Ca -0.24 0.16 -0.17 0.00 -0.41 0.00 0.00 54.97 54.31 3iyl s GLU 1140Cb 0.06 -2.10 -0.02 0.00 -1.78 0.00 0.00 34.13 30.30 3iyl s GLU 1140CO 0.71 -1.09 0.44 0.54 -0.49 0.00 0.00 175.26 175.37 3iyl s ASN 1141N -4.41 6.29 -0.17 -0.19 4.22 -1.26 -4.66 114.94 114.76 3iyl s ASN 1141Ca 0.58 0.14 0.17 0.00 -2.14 0.00 0.00 52.86 51.61 3iyl s ASN 1141Cb -0.11 -2.24 0.44 0.00 1.28 0.00 0.00 41.25 40.62 3iyl s ASN 1141CO 0.48 -0.32 1.32 0.59 -2.04 0.00 0.00 177.10 177.13 3iyl n ASN 1142N 5.51 3.18 -1.56 3.54 3.02 -1.18 -4.58 115.26 123.20 3iyl n ASN 1142Ca -0.07 -3.12 0.05 0.00 -0.03 0.00 0.00 54.58 51.42 3iyl n ASN 1142Cb 0.50 -0.51 0.31 0.00 -0.61 0.00 0.00 39.78 39.47 3iyl n ASN 1142CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3iyl n ASN 1143N -0.91 4.60 0.24 6.41 6.94 -1.26 -4.21 115.26 127.08 3iyl n ASN 1143Ca 0.20 -2.69 0.07 0.00 -0.02 0.00 0.00 54.58 52.14 3iyl n ASN 1143Cb 0.81 -0.64 0.58 0.00 -2.36 0.00 0.00 39.78 38.17 3iyl n ASN 1143CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 3iyl h ASP 1144N 3.09 0.00 -0.39 0.53 3.58 -1.98 -2.49 116.42 118.77 3iyl h ASP 1144Ca 0.00 0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.52 3iyl h ASP 1144Cb 1.61 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.60 3iyl h ASP 1144CO 0.37 0.09 0.02 -1.28 -2.88 0.00 0.00 179.24 175.56 3iyl h SER 1145N 0.00 -0.12 -0.51 2.28 0.87 -1.85 -3.42 113.55 110.80 3iyl h SER 1145Ca -0.00 0.08 -0.72 0.00 -1.23 0.00 0.00 61.79 59.93 3iyl h SER 1145Cb 0.16 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 3iyl h SER 1145CO 0.01 -0.02 1.38 -0.11 -0.53 0.00 0.00 176.83 177.56 3iyl n LEU 1146N -5.17 1.39 0.03 2.23 7.94 -0.94 -2.90 117.00 119.59 3iyl n LEU 1146Ca 0.02 0.53 -0.19 0.00 -1.11 0.00 0.00 56.01 55.26 3iyl n LEU 1146Cb 0.20 -1.07 -0.11 0.00 0.53 0.00 0.00 43.42 42.96 3iyl n LEU 1146CO 0.21 -0.76 0.12 0.15 -1.11 0.00 0.00 177.39 176.00 3iyl h PHE 1147N 10.72 0.86 0.00 1.96 3.57 -1.49 -3.48 116.94 129.09 3iyl h PHE 1147Ca -0.18 -0.48 0.00 0.00 3.53 0.00 0.00 57.97 60.84 3iyl h PHE 1147Cb 1.37 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.02 3iyl h PHE 1147CO 0.97 1.32 0.00 0.45 -2.23 0.00 0.00 178.31 178.82 3iyl n SER 1148N -4.00 0.00 -4.06 0.41 2.88 -0.87 -4.50 113.62 103.49 3iyl n SER 1148Ca -0.11 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.15 3iyl n SER 1148Cb 0.81 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 64.11 3iyl n SER 1148CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3iyl s THR 1149N -2.00 1.43 -0.75 2.46 -4.23 -0.63 -0.94 115.64 110.97 3iyl s THR 1149Ca 0.00 -0.62 -0.02 0.00 -1.18 0.00 0.00 61.69 59.87 3iyl s THR 1149Cb 0.00 -1.31 -0.02 0.00 1.34 0.00 0.00 72.50 72.51 3iyl s THR 1149CO 0.00 0.43 0.64 0.59 -0.54 0.00 0.00 174.62 175.74 3iyl n ASN 1150N 4.06 -3.40 0.27 3.99 3.02 0.09 -4.49 115.26 118.79 3iyl n ASN 1150Ca -0.20 -0.44 0.11 0.00 -0.03 0.00 0.00 54.58 54.03 3iyl n ASN 1150Cb 0.51 -3.60 0.76 0.00 -0.61 0.00 0.00 39.78 36.84 3iyl n ASN 1150CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iyl h ALA 1151N 0.31 1.69 -0.13 5.41 0.00 -1.84 -1.77 119.26 122.94 3iyl h ALA 1151Ca -0.40 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3iyl h ALA 1151Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3iyl h ALA 1151CO 0.31 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.60 3iyl n ALA 1152N -2.42 2.54 -2.63 0.00 0.00 -1.26 -2.14 120.51 114.59 3iyl n ALA 1152Ca -0.03 -0.25 -0.20 0.00 0.00 0.00 0.00 53.44 52.96 3iyl n ALA 1152Cb 0.12 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.45 3iyl n ALA 1152CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3iyl s SER 1153N -0.81 1.94 0.00 0.00 0.01 -0.66 -4.92 113.70 109.25 3iyl s SER 1153Ca 0.09 -0.66 0.05 0.00 1.31 0.00 0.00 55.95 56.74 3iyl s SER 1153Cb 0.05 -0.07 0.26 0.00 0.21 0.00 0.00 66.02 66.46 3iyl s SER 1153CO 0.05 -0.05 1.03 0.00 0.41 0.00 0.00 173.24 174.68 3iyl n ILE 1154N 1.12 1.05 -2.70 1.44 0.00 -1.25 -0.85 119.36 118.16 3iyl n ILE 1154Ca -0.20 0.26 0.00 0.00 0.00 0.00 0.00 62.75 62.81 3iyl n ILE 1154Cb 0.54 -1.18 0.00 0.00 0.00 0.00 0.00 39.64 39.01 3iyl n ILE 1154CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3iyl n ASP 1155N -1.32 0.00 -3.95 9.51 5.68 -1.26 -4.69 116.55 120.52 3iyl n ASP 1155Ca 0.02 0.00 -0.17 0.00 -0.50 0.00 0.00 54.79 54.14 3iyl n ASP 1155Cb 0.04 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 39.88 3iyl n ASP 1155CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3iyl s THR 1156N -2.72 0.47 -0.11 2.12 -1.32 -1.26 -4.87 115.64 107.96 3iyl s THR 1156Ca 0.00 -0.22 0.16 0.00 -1.21 0.00 0.00 61.69 60.42 3iyl s THR 1156Cb 0.00 -0.42 -0.14 0.00 -1.51 0.00 0.00 72.50 70.43 3iyl s THR 1156CO 0.00 0.15 0.83 0.00 -2.21 0.00 0.00 174.62 173.39 3iyl h ALA 1157N 6.25 0.67 0.00 11.08 0.00 -0.65 -3.47 119.26 133.14 3iyl h ALA 1157Ca -0.31 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 53.69 3iyl h ALA 1157Cb 1.18 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3iyl h ALA 1157CO 0.50 0.99 -0.20 0.34 0.00 0.00 0.00 179.25 180.87 3iyl n PHE 1158N -2.93 -0.76 -0.79 0.00 -0.00 0.23 -4.83 117.46 108.39 3iyl n PHE 1158Ca -0.10 0.13 -0.29 0.00 -0.00 0.00 0.00 57.45 57.20 3iyl n PHE 1158Cb 0.86 0.34 0.21 0.00 -0.00 0.00 0.00 39.48 40.89 3iyl n PHE 1158CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3iyl s GLY 1159N -4.82 1.57 -0.44 7.13 0.00 -1.26 -4.77 107.32 104.73 3iyl s GLY 1159Ca 0.00 -0.09 -0.29 0.00 0.00 0.00 0.00 44.72 44.34 3iyl s GLY 1159CO 0.00 0.54 2.35 -1.84 0.00 0.00 0.00 173.10 174.15 3iyl n GLU 1160N -4.55 1.18 -2.72 2.90 0.28 -1.26 -4.76 120.64 111.71 3iyl n GLU 1160Ca 0.05 0.20 -0.40 0.00 -0.16 0.00 0.00 57.16 56.85 3iyl n GLU 1160Cb 0.55 -2.99 -0.06 0.00 1.43 0.00 0.00 31.44 30.37 3iyl n GLU 1160CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 3iyl s ASN 1161N 9.87 7.60 -0.26 -1.84 2.47 -1.26 -4.85 114.94 126.67 3iyl s ASN 1161Ca 1.05 1.97 -0.03 0.00 0.42 0.00 0.00 52.86 56.27 3iyl s ASN 1161Cb -0.47 -2.61 0.10 0.00 -1.45 0.00 0.00 41.25 36.82 3iyl s ASN 1161CO 0.36 0.12 0.17 0.00 -3.72 0.00 0.00 177.10 174.03 3iyl s ALA 1162N -1.12 0.25 0.87 1.71 0.00 -1.26 -4.98 121.76 117.23 3iyl s ALA 1162Ca 0.42 -0.64 -0.11 0.00 0.00 0.00 0.00 51.96 51.63 3iyl s ALA 1162Cb -0.26 -1.42 0.12 0.00 0.00 0.00 0.00 23.12 21.56 3iyl s ALA 1162CO 0.33 -1.54 1.11 0.00 0.00 0.00 0.00 175.76 175.66 3iyl s ALA 1163N 2.19 1.65 -0.30 0.00 0.00 -1.26 -1.61 121.76 122.42 3iyl s ALA 1163Ca 0.08 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.09 3iyl s ALA 1163Cb -0.15 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 3iyl s ALA 1163CO -0.29 -2.41 1.64 0.08 0.00 0.00 0.00 175.76 174.79 3iyl s VAL 1164N -2.77 3.65 0.05 0.00 1.01 -1.26 -4.79 120.40 116.29 3iyl s VAL 1164Ca 0.64 0.70 -0.30 0.00 0.00 0.00 0.00 61.98 63.01 3iyl s VAL 1164Cb -0.20 -3.79 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 3iyl s VAL 1164CO 0.58 -0.44 1.60 -0.55 0.00 0.00 0.00 175.10 176.29 3iyl s SER 1165N 4.91 6.66 0.37 3.32 0.15 -1.26 -4.90 113.70 122.94 3iyl s SER 1165Ca 0.73 2.39 0.08 0.00 0.70 0.00 0.00 55.95 59.85 3iyl s SER 1165Cb -0.21 -2.56 0.73 0.00 -1.71 0.00 0.00 66.02 62.26 3iyl s SER 1165CO 0.32 -0.86 1.90 -0.65 1.20 0.00 0.00 173.24 175.15 3iyl h PRO 1166N 8.32 0.30 -0.90 5.44 0.11 -1.94 -3.11 132.00 140.22 3iyl h PRO 1166Ca -0.41 -0.07 0.22 0.00 0.11 0.00 0.00 66.00 65.84 3iyl h PRO 1166Cb 1.19 -0.04 -0.12 0.00 0.11 0.00 0.00 31.00 32.14 3iyl h PRO 1166CO 0.93 0.43 0.40 1.25 -0.21 0.00 0.00 178.00 180.80 3iyl h LEU 1167N 0.28 0.35 -1.75 2.35 5.85 -2.01 0.12 115.31 120.50 3iyl h LEU 1167Ca 0.06 0.15 0.07 0.00 0.84 0.00 0.00 57.88 59.00 3iyl h LEU 1167Cb 0.39 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3iyl h LEU 1167CO 0.02 0.01 0.29 0.03 -0.34 0.00 0.00 178.44 178.46 3iyl h ARG 1168N 0.42 0.29 -2.29 1.25 2.47 -1.89 -3.23 114.38 111.40 3iyl h ARG 1168Ca 0.56 -0.02 -0.63 0.00 -1.26 0.00 0.00 59.98 58.64 3iyl h ARG 1168Cb 1.05 -0.07 -0.40 0.00 -1.65 0.00 0.00 29.97 28.91 3iyl h ARG 1168CO -0.52 0.19 -0.38 0.91 0.56 0.00 0.00 179.97 180.73 3iyl n TRP 1169N -4.47 3.78 0.25 3.04 7.02 0.40 -0.79 117.44 126.67 3iyl n TRP 1169Ca 0.06 -3.80 0.10 0.00 -1.02 0.00 0.00 57.50 52.84 3iyl n TRP 1169Cb 0.29 -0.61 0.66 0.00 -2.42 0.00 0.00 31.31 29.22 3iyl n TRP 1169CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 3iyl h PRO 1170N 3.40 0.00 0.22 -0.99 0.13 -1.58 -1.53 132.00 131.65 3iyl h PRO 1170Ca 0.20 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.31 3iyl h PRO 1170Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 3iyl h PRO 1170CO 0.88 0.14 -0.11 0.78 -0.23 0.00 0.00 178.00 179.47 3iyl h GLY 1171N 0.73 -0.31 0.92 1.56 0.00 -1.86 -2.96 103.07 101.15 3iyl h GLY 1171Ca -0.00 0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 3iyl h GLY 1171CO 0.02 -0.11 0.06 -2.00 0.00 0.00 0.00 176.54 174.50 3iyl h LEU 1172N -0.91 0.59 0.00 3.11 5.85 -1.62 -3.40 115.31 118.93 3iyl h LEU 1172Ca -0.03 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3iyl h LEU 1172Cb 0.50 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3iyl h LEU 1172CO 0.05 0.70 -0.25 0.58 -0.34 0.00 0.00 178.44 179.18 3iyl h VAL 1173N 0.46 0.00 -2.81 1.05 2.07 -1.44 -2.26 116.25 113.32 3iyl h VAL 1173Ca 0.11 -0.77 -0.52 0.00 0.82 0.00 0.00 66.70 66.34 3iyl h VAL 1173Cb 0.36 0.00 0.06 0.00 -1.52 0.00 0.00 31.29 30.19 3iyl h VAL 1173CO 0.01 0.00 0.96 -0.62 0.02 0.00 0.00 177.57 177.94 3iyl s ASP 1174N -5.12 6.44 0.19 0.57 2.15 -1.12 -4.45 116.67 115.32 3iyl s ASP 1174Ca -0.07 2.81 0.23 0.00 0.43 0.00 0.00 52.55 55.95 3iyl s ASP 1174Cb 0.01 -2.60 0.90 0.00 -0.30 0.00 0.00 42.92 40.93 3iyl s ASP 1174CO 0.11 -0.92 1.70 -0.81 -0.17 0.00 0.00 175.17 175.07 3iyl n PRO 1175N 3.71 0.16 -0.87 4.34 -0.04 -1.26 -3.21 135.00 137.82 3iyl n PRO 1175Ca 0.14 0.32 0.07 0.00 -0.04 0.00 0.00 63.50 64.00 3iyl n PRO 1175Cb 0.36 -1.77 0.40 0.00 -0.04 0.00 0.00 33.50 32.45 3iyl n PRO 1175CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3iyl n ASN 1176N -2.06 5.63 -4.64 3.54 4.13 -1.26 -5.00 115.26 115.60 3iyl n ASN 1176Ca 0.03 -2.93 -0.30 0.00 1.68 0.00 0.00 54.58 53.06 3iyl n ASN 1176Cb 0.27 -0.68 0.18 0.00 -1.54 0.00 0.00 39.78 38.01 3iyl n ASN 1176CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3iyl s TYR 1177N -2.76 1.73 -0.31 3.10 6.04 -1.20 -5.03 117.35 118.93 3iyl s TYR 1177Ca 0.54 1.54 -0.03 0.00 0.04 0.00 0.00 57.07 59.16 3iyl s TYR 1177Cb 0.41 -3.22 0.11 0.00 -1.04 0.00 0.00 41.96 38.22 3iyl s TYR 1177CO 0.16 -2.94 0.16 1.03 -1.54 0.00 0.00 175.55 172.42 3iyl s ARG 1178N -4.66 0.29 -0.05 4.97 0.52 -1.26 -5.10 118.95 113.65 3iyl s ARG 1178Ca 0.66 -0.70 -0.09 0.00 -0.52 0.00 0.00 55.73 55.09 3iyl s ARG 1178Cb -0.22 -1.15 -0.04 0.00 0.52 0.00 0.00 34.95 34.06 3iyl s ARG 1178CO 0.59 -1.07 0.27 0.28 0.02 0.00 0.00 175.30 175.39 3iyl n VAL 1179N 4.95 0.00 0.00 3.52 0.31 -1.26 0.11 118.33 125.96 3iyl n VAL 1179Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3iyl n VAL 1179Cb 0.41 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 3iyl n VAL 1179CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3iyl n GLY 1180N 0.56 2.36 3.69 2.92 0.00 -1.26 -5.03 105.19 108.44 3iyl n GLY 1180Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3iyl n GLY 1180CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iyl s THR 1181N -2.25 4.17 0.00 2.61 2.01 0.12 -5.01 115.64 117.28 3iyl s THR 1181Ca 0.00 1.52 0.00 0.00 0.31 0.00 0.00 61.69 63.52 3iyl s THR 1181Cb 0.00 -3.98 0.00 0.00 0.01 0.00 0.00 72.50 68.53 3iyl s THR 1181CO 0.00 0.02 0.00 0.59 -0.69 0.00 0.00 174.62 174.54 3iyl n ASN 1182N 4.96 0.00 0.00 3.53 3.02 -1.26 -4.91 115.26 120.60 3iyl n ASN 1182Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 3iyl n ASN 1182Cb 0.46 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 3iyl n ASN 1182CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3iyl n ASP 1183N 0.00 0.00 0.00 6.41 -0.08 -1.26 -4.97 116.55 116.65 3iyl n ASP 1183Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3iyl n ASP 1183Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3iyl n ASP 1183CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3iyl n LEU 1184N 0.00 0.00 -0.32 -2.67 7.99 -1.26 -1.23 117.00 119.51 3iyl n LEU 1184Ca 0.00 0.00 0.23 0.00 -0.01 0.00 0.00 56.01 56.23 3iyl n LEU 1184Cb 0.00 0.00 0.52 0.00 -0.11 0.00 0.00 43.42 43.83 3iyl n LEU 1184CO 0.00 0.00 1.22 -0.65 -1.51 0.00 0.00 177.39 176.45 3iyl h PRO 1185N 0.00 0.37 0.00 3.23 0.11 -1.90 -3.30 132.00 130.51 3iyl h PRO 1185Ca 0.00 -0.02 -0.41 0.00 0.11 0.00 0.00 66.00 65.67 3iyl h PRO 1185Cb 0.00 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 30.96 3iyl h PRO 1185CO 0.00 0.24 -2.48 0.09 -0.21 0.00 0.00 178.00 175.65 3iyl n ASN 1186N -4.61 1.98 -3.58 -2.05 3.02 -0.36 -4.26 115.26 105.40 3iyl n ASN 1186Ca 0.25 0.04 -0.12 0.00 -0.03 0.00 0.00 54.58 54.72 3iyl n ASN 1186Cb 0.88 -0.57 -0.11 0.00 -0.61 0.00 0.00 39.78 39.37 3iyl n ASN 1186CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3iyl s ARG 1187N -2.52 0.24 -0.38 3.52 3.52 -1.24 -4.67 118.95 117.42 3iyl s ARG 1187Ca -0.36 0.72 -0.27 0.00 -0.13 0.00 0.00 55.73 55.68 3iyl s ARG 1187Cb 0.11 -0.17 -0.04 0.00 -1.56 0.00 0.00 34.95 33.28 3iyl s ARG 1187CO 0.57 -0.39 2.12 0.42 -0.81 0.00 0.00 175.30 177.21 3iyl s ILE 1188N 2.48 3.17 0.41 4.11 1.01 -1.26 -4.18 121.20 126.94 3iyl s ILE 1188Ca 0.03 0.15 -0.23 0.00 0.00 0.00 0.00 60.65 60.60 3iyl s ILE 1188Cb -0.13 -3.29 -0.09 0.00 0.01 0.00 0.00 42.46 38.95 3iyl s ILE 1188CO -0.11 -0.23 1.01 -0.89 0.00 0.00 0.00 174.94 174.72 3iyl s THR 1189N 9.21 3.94 0.00 2.92 2.01 -1.26 -4.81 115.64 127.64 3iyl s THR 1189Ca 0.90 1.39 0.00 0.00 0.31 0.00 0.00 61.69 64.29 3iyl s THR 1189Cb -0.23 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.61 3iyl s THR 1189CO 0.30 -0.09 0.00 0.18 -0.69 0.00 0.00 174.62 174.32 3iyl n LEU 1190N -0.27 0.09 -4.56 4.42 7.99 0.03 0.18 117.00 124.88 3iyl n LEU 1190Ca 0.06 0.14 -0.39 0.00 -0.01 0.00 0.00 56.01 55.80 3iyl n LEU 1190Cb 0.51 -0.45 -0.03 0.00 -0.11 0.00 0.00 43.42 43.34 3iyl n LEU 1190CO 0.42 -0.45 1.36 -0.47 -1.51 0.00 0.00 177.39 176.74 3iyl s TYR 1191N -0.91 2.29 0.00 -1.77 5.04 -1.26 0.28 117.35 121.02 3iyl s TYR 1191Ca 0.00 -0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.37 3iyl s TYR 1191Cb 0.00 -4.56 0.00 0.00 0.35 0.00 0.00 41.96 37.75 3iyl s TYR 1191CO 0.00 -2.01 0.00 0.09 -1.34 0.00 0.00 175.55 172.29 3iyl n ASN 1192N 9.88 0.00 -2.85 4.32 4.13 -1.26 -3.75 115.26 125.73 3iyl n ASN 1192Ca 0.21 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.39 3iyl n ASN 1192Cb 0.50 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.74 3iyl n ASN 1192CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 3iyl n SER 1193N 0.00 -2.88 -4.00 6.41 2.88 -1.26 -4.72 113.62 110.04 3iyl n SER 1193Ca 0.00 -2.91 -0.30 0.00 -1.33 0.00 0.00 58.87 54.34 3iyl n SER 1193Cb 0.00 1.40 0.22 0.00 -0.75 0.00 0.00 64.21 65.08 3iyl n SER 1193CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 3iyl s LEU 1194N 0.44 1.37 -0.52 2.46 2.34 -1.25 -4.48 118.68 119.04 3iyl s LEU 1194Ca 0.31 0.57 0.07 0.00 0.06 0.00 0.00 54.13 55.14 3iyl s LEU 1194Cb 0.05 -2.45 0.24 0.00 -0.56 0.00 0.00 46.19 43.47 3iyl s LEU 1194CO -0.10 -3.61 0.62 0.00 -1.06 0.00 0.00 176.35 172.20 3iyl n TYR 1195N -4.40 1.69 -1.38 3.48 4.19 -1.26 -3.93 117.16 115.54 3iyl n TYR 1195Ca 0.13 -3.87 -0.61 0.00 3.31 0.00 0.00 57.90 56.86 3iyl n TYR 1195Cb 0.59 -0.44 -0.11 0.00 0.49 0.00 0.00 39.34 39.87 3iyl n TYR 1195CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 3iyl n ARG 1196N 1.21 0.09 -2.93 2.98 5.12 -1.16 -4.82 116.66 117.15 3iyl n ARG 1196Ca 0.26 0.03 -0.24 0.00 -1.93 0.00 0.00 57.85 55.97 3iyl n ARG 1196Cb 0.46 -1.57 0.01 0.00 -1.16 0.00 0.00 32.46 30.20 3iyl n ARG 1196CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3iyl s TYR 1197N 5.38 3.26 -0.36 -1.55 2.02 -0.35 -1.63 117.35 124.12 3iyl s TYR 1197Ca 1.16 0.31 0.14 0.00 -0.37 0.00 0.00 57.07 58.31 3iyl s TYR 1197Cb -1.45 -2.33 0.39 0.00 -0.40 0.00 0.00 41.96 38.17 3iyl s TYR 1197CO 0.68 -0.37 0.87 -1.71 -1.57 0.00 0.00 175.55 173.45 3iyl n ASN 1198N -2.12 0.76 -4.77 2.29 2.85 -0.89 -1.20 115.26 112.19 3iyl n ASN 1198Ca 0.01 -2.91 -0.37 0.00 -0.11 0.00 0.00 54.58 51.21 3iyl n ASN 1198Cb 0.57 -0.36 0.00 0.00 1.24 0.00 0.00 39.78 41.23 3iyl n ASN 1198CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3iyl s PHE 1199N -2.43 2.73 0.05 1.20 0.08 -1.26 -4.84 117.98 113.52 3iyl s PHE 1199Ca 0.33 1.52 0.07 0.00 0.12 0.00 0.00 56.93 58.96 3iyl s PHE 1199Cb 0.39 -3.43 -0.03 0.00 -0.57 0.00 0.00 43.02 39.38 3iyl s PHE 1199CO -0.03 -1.74 -0.15 0.95 -0.10 0.00 0.00 175.22 174.14 3iyl s THR 1200N -1.55 2.99 -0.66 0.64 -4.23 -1.26 -4.93 115.64 106.63 3iyl s THR 1200Ca 0.67 -1.17 -0.01 0.00 -1.18 0.00 0.00 61.69 60.01 3iyl s THR 1200Cb -0.29 -2.30 0.17 0.00 1.34 0.00 0.00 72.50 71.42 3iyl s THR 1200CO 0.35 0.29 0.47 -0.31 -0.54 0.00 0.00 174.62 174.88 3iyl s TYR 1201N -0.99 3.46 0.29 3.99 1.51 -1.26 -1.50 117.35 122.84 3iyl s TYR 1201Ca 0.16 -2.93 -0.29 0.00 -1.01 0.00 0.00 57.07 53.00 3iyl s TYR 1201Cb -0.11 -3.08 -0.13 0.00 -0.11 0.00 0.00 41.96 38.53 3iyl s TYR 1201CO 0.07 -0.77 1.25 -2.30 -1.11 0.00 0.00 175.55 172.69 3iyl n PRO 1202N 3.04 1.88 -3.76 -1.71 -0.02 -1.26 -4.95 135.00 128.22 3iyl n PRO 1202Ca 0.11 0.66 -0.30 0.00 -2.02 0.00 0.00 63.50 61.95 3iyl n PRO 1202Cb 0.36 -2.21 -0.13 0.00 -0.02 0.00 0.00 33.50 31.50 3iyl n PRO 1202CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3iyl s THR 1203N -0.74 1.62 0.45 3.45 -1.32 -1.26 -4.93 115.64 112.89 3iyl s THR 1203Ca 0.61 -2.68 -0.23 0.00 -1.21 0.00 0.00 61.69 58.17 3iyl s THR 1203Cb -0.64 -2.13 -0.10 0.00 -1.51 0.00 0.00 72.50 68.12 3iyl s THR 1203CO 0.58 -0.87 0.90 0.18 -2.21 0.00 0.00 174.62 173.19 3iyl n LEU 1204N 3.48 2.18 -2.97 9.08 4.77 -0.76 -4.64 117.00 128.14 3iyl n LEU 1204Ca 0.08 0.98 -0.00 0.00 -0.03 0.00 0.00 56.01 57.03 3iyl n LEU 1204Cb 0.34 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 3iyl n LEU 1204CO 0.26 -1.84 0.20 1.51 -1.33 0.00 0.00 177.39 176.19 3iyl s ASP 1205N -0.85 -1.20 0.43 -1.43 -4.77 -1.26 -1.44 116.67 106.15 3iyl s ASP 1205Ca 0.65 -0.88 0.05 0.00 -3.30 0.00 0.00 52.55 49.07 3iyl s ASP 1205Cb -0.55 1.55 0.05 0.00 -1.09 0.00 0.00 42.92 42.88 3iyl s ASP 1205CO 0.56 -0.10 0.40 0.61 0.70 0.00 0.00 175.17 177.33 3iyl n GLY 1206N 3.76 2.59 3.87 2.12 0.00 -1.25 -4.69 105.19 111.59 3iyl n GLY 1206Ca 0.12 -2.25 -0.31 0.00 0.00 0.00 0.00 46.02 43.58 3iyl n GLY 1206CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iyl s ILE 1207N -2.04 4.76 -0.26 -0.61 1.01 -1.02 -2.94 121.20 120.10 3iyl s ILE 1207Ca 0.30 0.70 -0.04 0.00 0.00 0.00 0.00 60.65 61.61 3iyl s ILE 1207Cb -0.02 -3.70 0.09 0.00 0.01 0.00 0.00 42.46 38.83 3iyl s ILE 1207CO 0.19 -0.45 0.12 -0.32 0.00 0.00 0.00 174.94 174.48 3iyl s MET 1208N -3.66 0.18 0.06 2.79 1.75 -0.99 -2.17 119.30 117.26 3iyl s MET 1208Ca 0.52 -0.44 -0.21 0.00 -1.25 0.00 0.00 55.69 54.31 3iyl s MET 1208Cb -0.10 -1.34 -0.06 0.00 2.84 0.00 0.00 34.83 36.16 3iyl s MET 1208CO 0.28 -0.93 0.62 0.71 -0.65 0.00 0.00 175.02 175.05 3iyl s TYR 1209N 2.09 3.78 0.51 4.11 1.51 0.89 -2.00 117.35 128.25 3iyl s TYR 1209Ca 0.07 1.32 -0.09 0.00 -1.01 0.00 0.00 57.07 57.36 3iyl s TYR 1209Cb -0.16 -2.59 0.12 0.00 -0.11 0.00 0.00 41.96 39.22 3iyl s TYR 1209CO -0.30 0.49 0.64 1.55 -1.11 0.00 0.00 175.55 176.82 3iyl n VAL 1210N 2.06 0.00 0.04 0.71 3.14 -1.26 -1.07 118.33 121.95 3iyl n VAL 1210Ca -0.08 -0.44 -0.09 0.00 -2.96 0.00 0.00 64.34 60.77 3iyl n VAL 1210Cb 0.50 -1.64 -0.13 0.00 -1.06 0.00 0.00 33.84 31.52 3iyl n VAL 1210CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3iyl h ARG 1211N 0.00 0.04 -1.46 1.45 9.65 -1.76 -3.44 114.38 118.86 3iyl h ARG 1211Ca -0.21 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.61 3iyl h ARG 1211Cb 0.60 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.20 3iyl h ARG 1211CO 0.15 0.88 0.00 -1.13 2.80 0.00 0.00 179.97 182.66 3iyl n SER 1212N -3.28 -1.73 0.00 -3.80 3.41 -1.26 -4.84 113.62 102.12 3iyl n SER 1212Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 3iyl n SER 1212Cb 0.99 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3iyl n SER 1212CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iyl n ALA 1213N 0.40 0.00 0.00 7.33 0.00 -1.26 -4.97 120.51 122.01 3iyl n ALA 1213Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3iyl n ALA 1213Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3iyl n ALA 1213CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75