#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b3u h ALA 2 N 0.00 1.35 0.00 0.00 0.00 -2.06 0.43 119.26 118.98 1b3u h ALA 2 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1b3u h ALA 2 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1b3u h ALA 2 CO 0.00 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.45 1b3u n ALA 3 N -2.36 2.03 -2.46 0.00 0.00 -1.26 -2.60 120.51 113.86 1b3u n ALA 3 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.58 1b3u n ALA 3 Cb 0.29 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.78 1b3u n ALA 3 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1b3u n ASP 4 N 0.32 -0.27 0.26 0.00 8.00 0.15 -4.91 116.55 120.10 1b3u n ASP 4 Ca 0.00 -2.07 -0.13 0.00 0.71 0.00 0.00 54.79 53.30 1b3u n ASP 4 Cb 0.21 0.15 -0.07 0.00 -0.02 0.00 0.00 41.12 41.40 1b3u n ASP 4 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1b3u h GLY 5 N 0.99 -0.71 1.55 0.44 0.00 -1.47 -2.49 103.07 101.38 1b3u h GLY 5 Ca -0.39 0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.13 1b3u h GLY 5 CO -0.09 -0.26 -0.16 -0.55 0.00 0.00 0.00 176.54 175.48 1b3u h ASP 6 N -1.03 0.53 0.00 0.19 3.32 -1.93 0.57 116.42 118.07 1b3u h ASP 6 Ca -0.07 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1b3u h ASP 6 Cb 0.60 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1b3u h ASP 6 CO 0.11 0.71 0.01 0.47 -1.72 0.00 0.00 179.24 178.83 1b3u n ASP 7 N -4.17 0.00 0.00 6.45 9.92 -1.19 -4.29 116.55 123.27 1b3u n ASP 7 Ca 0.00 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.48 1b3u n ASP 7 Cb 0.35 -0.21 0.00 0.00 -0.64 0.00 0.00 41.12 40.62 1b3u n ASP 7 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1b3u n SER 8 N -1.20 0.00 -2.15 -2.24 3.41 0.20 -2.25 113.62 109.39 1b3u n SER 8 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1b3u n SER 8 Cb 0.01 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.00 1b3u n SER 8 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1b3u n LEU 9 N -0.02 0.71 -0.17 1.04 4.77 -1.26 -4.94 117.00 117.13 1b3u n LEU 9 Ca 0.00 -2.58 -0.01 0.00 -0.03 0.00 0.00 56.01 53.39 1b3u n LEU 9 Cb 0.00 0.21 0.07 0.00 -2.33 0.00 0.00 43.42 41.37 1b3u n LEU 9 CO 0.00 0.98 0.85 0.22 -1.33 0.00 0.00 177.39 178.11 1b3u h TYR 10 N 1.56 -0.01 -0.16 -1.77 3.20 -1.69 -0.15 116.97 117.95 1b3u h TYR 10 Ca -0.26 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.70 1b3u h TYR 10 Cb 1.51 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.86 1b3u h TYR 10 CO 0.24 -0.11 0.12 -1.00 -1.64 0.00 0.00 178.16 175.77 1b3u h PRO 11 N 0.13 0.00 -0.08 1.82 0.13 -1.92 0.76 132.00 132.83 1b3u h PRO 11 Ca 0.27 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.25 1b3u h PRO 11 Cb 0.41 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 1b3u h PRO 11 CO -0.43 0.00 -0.61 0.82 -0.23 0.00 0.00 178.00 177.55 1b3u h ILE 12 N 0.00 1.38 -0.65 -3.56 2.04 -1.41 -2.32 117.51 112.98 1b3u h ILE 12 Ca 0.08 -1.98 -0.02 0.00 1.00 0.00 0.00 64.86 63.94 1b3u h ILE 12 Cb 0.32 1.99 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 1b3u h ILE 12 CO -0.00 0.59 0.34 0.00 0.00 0.00 0.00 178.15 179.08 1b3u h ALA 13 N 1.14 0.84 -0.10 1.87 0.00 -0.39 -0.29 119.26 122.32 1b3u h ALA 13 Ca -0.01 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1b3u h ALA 13 Cb 1.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1b3u h ALA 13 CO 0.10 0.37 -0.00 0.28 0.00 0.00 0.00 179.25 180.00 1b3u h VAL 14 N 0.90 0.93 -0.66 0.00 2.07 -1.10 -1.14 116.25 117.25 1b3u h VAL 14 Ca 0.23 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.80 1b3u h VAL 14 Cb 0.07 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 1b3u h VAL 14 CO -0.03 0.01 0.35 0.25 0.02 0.00 0.00 177.57 178.16 1b3u h LEU 15 N 0.03 0.50 -0.88 2.57 5.85 -0.98 -1.62 115.31 120.77 1b3u h LEU 15 Ca 0.04 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1b3u h LEU 15 Cb 0.05 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1b3u h LEU 15 CO -0.08 0.31 0.50 0.40 -0.34 0.00 0.00 178.44 179.24 1b3u h ILE 16 N 0.63 1.25 -0.26 4.05 2.04 -0.55 -1.61 117.51 123.06 1b3u h ILE 16 Ca 0.30 -0.60 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 1b3u h ILE 16 Cb 0.23 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1b3u h ILE 16 CO -0.20 0.28 -0.03 0.44 0.00 0.00 0.00 178.15 178.64 1b3u h ASP 17 N 1.23 0.48 0.44 1.72 3.32 -0.51 -2.21 116.42 120.88 1b3u h ASP 17 Ca 0.31 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1b3u h ASP 17 Cb 0.00 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 1b3u h ASP 17 CO -0.05 0.70 -0.02 1.05 -1.72 0.00 0.00 179.24 179.19 1b3u h GLU 18 N 0.25 0.00 -0.00 3.56 4.11 -1.12 0.40 114.58 121.78 1b3u h GLU 18 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 1b3u h GLU 18 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1b3u h GLU 18 CO 0.02 0.02 -0.16 1.28 0.07 0.00 0.00 179.01 180.24 1b3u n LEU 19 N -3.20 0.53 0.12 3.06 4.77 -0.62 -3.05 117.00 118.61 1b3u n LEU 19 Ca -0.01 -0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.06 1b3u n LEU 19 Cb 0.19 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1b3u n LEU 19 CO 0.25 0.10 0.16 0.03 -1.33 0.00 0.00 177.39 176.60 1b3u h ARG 20 N 0.58 0.00 -6.45 3.23 3.08 -0.47 -3.47 114.38 110.89 1b3u h ARG 20 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1b3u h ARG 20 Cb 0.41 0.00 0.13 0.00 0.08 0.00 0.00 29.97 30.59 1b3u h ARG 20 CO 0.00 0.07 -0.09 -1.71 -1.07 0.00 0.00 179.97 177.17 1b3u n ASN 21 N -2.83 0.33 0.06 7.04 2.85 -1.17 -4.90 115.26 116.65 1b3u n ASN 21 Ca -0.00 1.03 -0.08 0.00 -0.11 0.00 0.00 54.58 55.41 1b3u n ASN 21 Cb 0.60 -1.23 -0.12 0.00 1.24 0.00 0.00 39.78 40.27 1b3u n ASN 21 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1b3u h GLU 22 N 1.33 0.04 -6.36 1.20 5.08 -1.91 -3.44 114.58 110.52 1b3u h GLU 22 Ca -0.41 -0.06 -0.55 0.00 -1.00 0.00 0.00 59.36 57.34 1b3u h GLU 22 Cb 1.37 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.59 1b3u h GLU 22 CO 0.56 1.02 1.16 0.34 -1.00 0.00 0.00 179.01 181.09 1b3u s ASP 23 N -6.76 6.03 0.27 1.42 2.15 -1.26 -4.89 116.67 113.63 1b3u s ASP 23 Ca 0.00 0.65 0.00 0.00 0.43 0.00 0.00 52.55 53.64 1b3u s ASP 23 Cb 0.10 -2.54 0.57 0.00 -0.30 0.00 0.00 42.92 40.75 1b3u s ASP 23 CO 0.83 -1.72 1.77 0.58 -0.17 0.00 0.00 175.17 176.46 1b3u h VAL 24 N 6.56 0.73 -0.07 1.11 2.07 -2.00 -0.52 116.25 124.13 1b3u h VAL 24 Ca -0.28 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1b3u h VAL 24 Cb 1.12 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1b3u h VAL 24 CO 1.13 0.12 0.02 -0.61 0.02 0.00 0.00 177.57 178.25 1b3u h GLN 25 N 0.66 0.10 -0.06 1.57 5.75 -1.98 -1.00 115.11 120.16 1b3u h GLN 25 Ca 0.49 -0.01 -0.13 0.00 -0.15 0.00 0.00 58.65 58.85 1b3u h GLN 25 Cb 0.70 -0.02 0.01 0.00 1.07 0.00 0.00 27.48 29.23 1b3u h GLN 25 CO -0.36 0.09 -0.46 1.25 -2.65 0.00 0.00 178.83 176.69 1b3u h LEU 26 N 0.10 0.50 -1.01 -2.39 5.85 -1.51 -2.67 115.31 114.18 1b3u h LEU 26 Ca 0.03 -0.69 0.10 0.00 0.84 0.00 0.00 57.88 58.16 1b3u h LEU 26 Cb 0.03 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 40.83 1b3u h LEU 26 CO -0.00 1.11 0.64 0.03 -0.34 0.00 0.00 178.44 179.88 1b3u h ARG 27 N -0.07 1.04 0.05 1.25 3.08 -0.96 -1.57 114.38 117.21 1b3u h ARG 27 Ca -0.04 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1b3u h ARG 27 Cb 1.13 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1b3u h ARG 27 CO 0.09 0.69 -0.03 1.25 -1.07 0.00 0.00 179.97 180.91 1b3u h LEU 28 N 1.07 -0.06 -1.39 3.04 6.46 -1.15 -2.32 115.31 120.96 1b3u h LEU 28 Ca 0.47 -0.04 0.05 0.00 -0.12 0.00 0.00 57.88 58.24 1b3u h LEU 28 Cb 0.36 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.27 1b3u h LEU 28 CO -0.23 0.00 0.46 0.78 -0.62 0.00 0.00 178.44 178.83 1b3u h ASN 29 N -0.12 0.67 -0.08 1.25 2.35 -1.03 -1.16 115.58 117.47 1b3u h ASN 29 Ca -0.01 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1b3u h ASN 29 Cb 0.10 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1b3u h ASN 29 CO 0.01 0.44 -0.02 -1.28 -1.65 0.00 0.00 177.43 174.94 1b3u h SER 30 N 0.76 -0.07 -0.51 5.81 0.87 -0.86 -2.46 113.55 117.10 1b3u h SER 30 Ca 0.29 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.90 1b3u h SER 30 Cb 0.18 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.15 1b3u h SER 30 CO -0.09 -0.02 0.30 0.40 -0.53 0.00 0.00 176.83 176.89 1b3u h ILE 31 N 0.00 1.04 0.00 2.23 1.08 -0.77 -0.70 117.51 120.39 1b3u h ILE 31 Ca 0.04 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1b3u h ILE 31 Cb 0.06 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.20 1b3u h ILE 31 CO -0.08 0.11 0.10 0.29 -0.69 0.00 0.00 178.15 177.88 1b3u n LYS 32 N -4.81 0.09 -0.20 2.37 5.02 -0.54 0.14 118.16 120.23 1b3u n LYS 32 Ca 0.04 0.56 0.07 0.00 -2.02 0.00 0.00 58.31 56.96 1b3u n LYS 32 Cb 0.09 -1.89 0.16 0.00 -0.02 0.00 0.00 35.03 33.37 1b3u n LYS 32 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1b3u n LYS 33 N -1.96 2.30 -0.31 1.97 5.02 -0.29 -4.74 118.16 120.15 1b3u n LYS 33 Ca -0.01 -2.44 0.27 0.00 -2.02 0.00 0.00 58.31 54.11 1b3u n LYS 33 Cb 0.12 -1.51 0.60 0.00 -0.02 0.00 0.00 35.03 34.22 1b3u n LYS 33 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1b3u h LEU 34 N 0.87 0.27 -1.33 -0.35 5.85 -0.03 0.69 115.31 121.27 1b3u h LEU 34 Ca 0.00 0.05 0.14 0.00 0.84 0.00 0.00 57.88 58.91 1b3u h LEU 34 Cb 1.04 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.02 1b3u h LEU 34 CO 0.08 0.05 0.56 0.77 -0.34 0.00 0.00 178.44 179.55 1b3u h SER 35 N 0.23 0.62 -0.51 1.25 4.64 -1.85 -1.61 113.55 116.33 1b3u h SER 35 Ca 0.57 0.03 0.04 0.00 -0.47 0.00 0.00 61.79 61.96 1b3u h SER 35 Cb 1.76 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 63.72 1b3u h SER 35 CO -0.18 0.32 0.26 0.74 -0.87 0.00 0.00 176.83 177.11 1b3u h THR 36 N 0.66 0.97 0.22 2.95 2.02 -1.24 0.11 112.91 118.61 1b3u h THR 36 Ca 0.43 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 1b3u h THR 36 Cb 0.69 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1b3u h THR 36 CO -0.18 0.09 -0.11 0.40 0.37 0.00 0.00 175.52 176.09 1b3u h ILE 37 N 0.51 0.80 -0.92 3.11 5.03 -1.42 0.43 117.51 125.05 1b3u h ILE 37 Ca 0.22 -0.07 0.07 0.00 -0.12 0.00 0.00 64.86 64.96 1b3u h ILE 37 Cb 0.12 0.84 -0.06 0.00 -3.03 0.00 0.00 36.82 34.68 1b3u h ILE 37 CO -0.15 0.02 0.58 0.00 -0.68 0.00 0.00 178.15 177.92 1b3u h ALA 38 N 0.44 1.28 -0.60 1.87 0.00 -1.27 0.20 119.26 121.18 1b3u h ALA 38 Ca -0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1b3u h ALA 38 Cb 0.26 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1b3u h ALA 38 CO 0.05 0.34 0.11 1.25 0.00 0.00 0.00 179.25 181.00 1b3u h LEU 39 N 1.06 0.90 -0.82 0.00 5.85 -0.42 -2.54 115.31 119.34 1b3u h LEU 39 Ca 0.40 -0.19 -0.12 0.00 0.84 0.00 0.00 57.88 58.81 1b3u h LEU 39 Cb 0.18 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1b3u h LEU 39 CO -0.18 0.90 -0.44 0.00 -0.34 0.00 0.00 178.44 178.38 1b3u h ALA 40 N 1.21 0.99 -2.32 1.25 0.00 0.34 -3.43 119.26 117.30 1b3u h ALA 40 Ca 0.19 -0.44 -0.50 0.00 0.00 0.00 0.00 54.91 54.16 1b3u h ALA 40 Cb 0.37 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.09 1b3u h ALA 40 CO 0.01 0.63 0.11 -0.51 0.00 0.00 0.00 179.25 179.48 1b3u s LEU 41 N -8.27 3.75 0.85 0.00 1.43 -0.06 -5.02 118.68 111.36 1b3u s LEU 41 Ca -0.05 1.04 -0.12 0.00 -1.03 0.00 0.00 54.13 53.97 1b3u s LEU 41 Cb 0.13 -3.95 0.10 0.00 0.03 0.00 0.00 46.19 42.50 1b3u s LEU 41 CO 0.79 -0.47 1.12 -0.83 0.23 0.00 0.00 176.35 177.19 1b3u s GLY 42 N -3.55 1.60 0.40 -3.19 0.00 -1.26 -4.80 107.32 96.51 1b3u s GLY 42 Ca 0.49 -0.40 0.07 0.00 0.00 0.00 0.00 44.72 44.88 1b3u s GLY 42 CO 0.37 0.10 2.02 -0.39 0.00 0.00 0.00 173.10 175.19 1b3u h VAL 43 N -1.29 1.13 -0.20 1.40 -1.51 -1.83 -0.64 116.25 113.31 1b3u h VAL 43 Ca -0.49 -0.34 -0.01 0.00 -1.23 0.00 0.00 66.70 64.63 1b3u h VAL 43 Cb 1.30 0.65 -0.01 0.00 -2.13 0.00 0.00 31.29 31.11 1b3u h VAL 43 CO 0.61 0.14 0.10 1.05 -1.23 0.00 0.00 177.57 178.25 1b3u h GLU 44 N 0.51 0.28 0.00 5.19 4.11 -1.91 -1.92 114.58 120.84 1b3u h GLU 44 Ca 0.13 -0.04 -0.08 0.00 0.07 0.00 0.00 59.36 59.44 1b3u h GLU 44 Cb 0.05 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1b3u h GLU 44 CO -0.02 0.28 -0.40 0.00 0.07 0.00 0.00 179.01 178.95 1b3u h ARG 45 N 0.21 0.00 -0.55 1.06 3.08 -1.83 -0.88 114.38 115.46 1b3u h ARG 45 Ca 0.07 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 1b3u h ARG 45 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1b3u h ARG 45 CO -0.01 0.40 0.04 1.15 -1.07 0.00 0.00 179.97 180.47 1b3u h THR 46 N 0.00 1.25 -0.03 2.04 2.02 -0.87 0.43 112.91 117.76 1b3u h THR 46 Ca -0.00 -1.03 -0.10 0.00 0.77 0.00 0.00 66.41 66.05 1b3u h THR 46 Cb 1.01 0.79 0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1b3u h THR 46 CO 0.05 0.37 -0.38 0.03 0.37 0.00 0.00 175.52 175.97 1b3u h ARG 47 N 0.86 0.30 0.00 6.66 3.08 -0.89 -2.40 114.38 121.99 1b3u h ARG 47 Ca 0.17 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1b3u h ARG 47 Cb 0.46 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1b3u h ARG 47 CO 0.02 0.97 -0.66 0.66 -1.07 0.00 0.00 179.97 179.89 1b3u h SER 48 N -0.26 0.00 0.00 7.04 4.64 -1.15 -3.39 113.55 120.43 1b3u h SER 48 Ca -0.04 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 1b3u h SER 48 Cb 1.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1b3u h SER 48 CO 0.08 0.05 -1.07 -0.62 -0.87 0.00 0.00 176.83 174.39 1b3u n GLU 49 N -2.47 0.03 -0.03 4.77 -0.58 0.11 -4.75 120.64 117.72 1b3u n GLU 49 Ca 0.02 0.01 -0.13 0.00 -0.42 0.00 0.00 57.16 56.64 1b3u n GLU 49 Cb 0.49 -0.78 -0.11 0.00 -0.57 0.00 0.00 31.44 30.48 1b3u n GLU 49 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1b3u h LEU 50 N -0.02 -0.02 -0.45 -4.62 5.85 -1.37 -3.27 115.31 111.42 1b3u h LEU 50 Ca -0.03 -0.63 0.04 0.00 0.84 0.00 0.00 57.88 58.10 1b3u h LEU 50 Cb 1.03 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 1b3u h LEU 50 CO -0.01 0.64 0.22 -0.07 -0.34 0.00 0.00 178.44 178.88 1b3u h LEU 51 N -0.68 0.32 -1.39 2.25 3.38 -1.63 -0.80 115.31 116.76 1b3u h LEU 51 Ca -0.00 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1b3u h LEU 51 Cb 0.65 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1b3u h LEU 51 CO 0.00 0.23 0.43 -0.65 0.09 0.00 0.00 178.44 178.53 1b3u h PRO 52 N 0.44 0.79 -0.54 1.13 0.11 -1.79 0.26 132.00 132.40 1b3u h PRO 52 Ca 0.20 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.18 1b3u h PRO 52 Cb 0.11 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 1b3u h PRO 52 CO -0.14 0.52 0.03 0.35 -0.21 0.00 0.00 178.00 178.55 1b3u h PHE 53 N 0.81 0.97 0.00 0.65 3.57 -1.43 -2.19 116.94 119.32 1b3u h PHE 53 Ca 0.25 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1b3u h PHE 53 Cb -0.00 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.48 1b3u h PHE 53 CO -0.00 0.86 0.00 -0.07 -2.23 0.00 0.00 178.31 176.87 1b3u h LEU 54 N 0.84 0.00 0.02 0.59 3.38 0.37 -1.84 115.31 118.68 1b3u h LEU 54 Ca 0.16 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.88 1b3u h LEU 54 Cb 0.46 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1b3u h LEU 54 CO 0.02 0.00 -1.29 0.74 0.09 0.00 0.00 178.44 178.00 1b3u h THR 55 N 0.00 1.37 0.00 0.22 2.02 0.07 -3.43 112.91 113.17 1b3u h THR 55 Ca 0.00 -3.12 0.00 0.00 0.77 0.00 0.00 66.41 64.06 1b3u h THR 55 Cb 0.73 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.85 1b3u h THR 55 CO 0.00 0.80 0.00 -0.90 0.37 0.00 0.00 175.52 175.79 1b3u n ASP 56 N -3.27 0.02 -1.81 4.18 5.68 -1.09 -4.85 116.55 115.41 1b3u n ASP 56 Ca -0.07 -0.83 -0.20 0.00 -0.50 0.00 0.00 54.79 53.19 1b3u n ASP 56 Cb 0.99 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 41.08 1b3u n ASP 56 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1b3u n THR 57 N -0.00 2.86 -3.96 2.12 -1.04 -0.69 -4.93 114.28 108.63 1b3u n THR 57 Ca 0.00 -3.28 -0.31 0.00 -2.04 0.00 0.00 64.05 58.43 1b3u n THR 57 Cb 0.20 -0.83 -0.16 0.00 -1.82 0.00 0.00 70.33 67.73 1b3u n THR 57 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1b3u s ILE 58 N -4.13 1.63 0.00 12.58 -1.09 -1.26 -4.90 121.20 124.03 1b3u s ILE 58 Ca 0.53 -1.25 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 1b3u s ILE 58 Cb 0.44 -1.85 0.00 0.00 -1.58 0.00 0.00 42.46 39.47 1b3u s ILE 58 CO 0.01 -0.06 0.00 0.00 -1.23 0.00 0.00 174.94 173.67 1b3u n TYR 59 N 4.64 0.00 -0.35 3.97 0.18 -1.26 -5.10 117.16 119.24 1b3u n TYR 59 Ca -0.13 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.65 1b3u n TYR 59 Cb 0.44 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.40 1b3u n TYR 59 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 1b3u n ASP 60 N 0.00 0.00 -4.82 9.48 -0.08 -1.26 -4.94 116.55 114.93 1b3u n ASP 60 Ca 0.00 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.96 1b3u n ASP 60 Cb 0.00 -1.10 0.01 0.00 2.34 0.00 0.00 41.12 42.38 1b3u n ASP 60 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1b3u s GLU 61 N -2.20 3.35 0.41 -0.67 0.41 -1.26 -4.85 118.70 113.89 1b3u s GLU 61 Ca 0.00 1.04 0.16 0.00 -0.41 0.00 0.00 54.97 55.75 1b3u s GLU 61 Cb 0.00 -2.04 1.03 0.00 -1.78 0.00 0.00 34.13 31.34 1b3u s GLU 61 CO 0.00 -0.77 1.88 -0.44 -0.49 0.00 0.00 175.26 175.44 1b3u h ASP 62 N 0.11 0.44 0.01 -0.19 3.32 -1.98 -0.12 116.42 118.01 1b3u h ASP 62 Ca -0.46 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.59 1b3u h ASP 62 Cb 1.21 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 1b3u h ASP 62 CO 0.58 0.20 -0.10 -0.33 -1.72 0.00 0.00 179.24 177.88 1b3u h GLU 63 N 0.45 0.20 0.04 3.56 5.08 -2.00 0.47 114.58 122.39 1b3u h GLU 63 Ca 0.43 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.70 1b3u h GLU 63 Cb 0.99 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.22 1b3u h GLU 63 CO -0.16 0.32 -0.22 0.28 -1.00 0.00 0.00 179.01 178.23 1b3u h VAL 64 N 0.20 1.72 -0.91 3.13 2.07 -1.43 -3.18 116.25 117.85 1b3u h VAL 64 Ca 0.04 -2.38 0.14 0.00 0.82 0.00 0.00 66.70 65.32 1b3u h VAL 64 Cb 0.31 3.33 -0.07 0.00 -1.52 0.00 0.00 31.29 33.33 1b3u h VAL 64 CO 0.02 0.63 0.58 -0.07 0.02 0.00 0.00 177.57 178.75 1b3u h LEU 65 N -0.82 0.69 -0.09 2.57 3.38 -1.09 -0.96 115.31 118.98 1b3u h LEU 65 Ca -0.04 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1b3u h LEU 65 Cb 1.16 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1b3u h LEU 65 CO 0.04 0.35 0.06 0.25 0.09 0.00 0.00 178.44 179.22 1b3u h LEU 66 N 0.73 0.11 -1.23 1.67 5.85 -0.98 -1.70 115.31 119.76 1b3u h LEU 66 Ca 0.46 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 59.11 1b3u h LEU 66 Cb 0.70 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1b3u h LEU 66 CO -0.22 0.11 0.11 0.00 -0.34 0.00 0.00 178.44 178.10 1b3u h ALA 67 N 1.01 1.38 -0.54 1.25 0.00 -1.20 -2.30 119.26 118.86 1b3u h ALA 67 Ca 0.03 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1b3u h ALA 67 Cb 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1b3u h ALA 67 CO -0.01 0.45 -0.01 1.25 0.00 0.00 0.00 179.25 180.93 1b3u h LEU 68 N 0.63 0.95 -0.08 0.00 5.85 -0.93 -1.66 115.31 120.07 1b3u h LEU 68 Ca 0.14 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.56 1b3u h LEU 68 Cb 0.23 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1b3u h LEU 68 CO -0.00 1.03 0.03 0.00 -0.34 0.00 0.00 178.44 179.16 1b3u h ALA 69 N 0.95 0.09 -0.60 1.25 0.00 -0.87 -0.66 119.26 119.42 1b3u h ALA 69 Ca 0.15 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1b3u h ALA 69 Cb 0.55 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1b3u h ALA 69 CO 0.03 -0.43 0.35 1.49 0.00 0.00 0.00 179.25 180.69 1b3u h GLU 70 N 0.07 0.66 -0.56 0.00 4.81 -1.31 -2.73 114.58 115.52 1b3u h GLU 70 Ca 0.03 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1b3u h GLU 70 Cb 0.01 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1b3u h GLU 70 CO -0.03 0.44 0.15 0.37 -0.73 0.00 0.00 179.01 179.20 1b3u h GLN 71 N 0.68 0.89 -0.44 1.92 5.75 -0.99 -2.81 115.11 120.11 1b3u h GLN 71 Ca 0.25 -0.21 0.04 0.00 -0.15 0.00 0.00 58.65 58.59 1b3u h GLN 71 Cb 0.08 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 1b3u h GLN 71 CO -0.13 0.82 0.30 -0.07 -2.65 0.00 0.00 178.83 177.10 1b3u h LEU 72 N 0.79 0.37 -0.77 -2.39 3.38 -0.83 -1.29 115.31 114.58 1b3u h LEU 72 Ca 0.18 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1b3u h LEU 72 Cb 0.33 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1b3u h LEU 72 CO -0.00 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.39 1b3u n GLY 73 N -1.50 -1.16 0.62 0.83 0.00 -1.06 -2.36 105.19 100.55 1b3u n GLY 73 Ca 0.05 0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.22 1b3u n GLY 73 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b3u n THR 74 N -2.17 1.02 1.46 2.61 -2.24 -0.49 -4.67 114.28 109.80 1b3u n THR 74 Ca 0.02 -1.02 0.10 0.00 -2.27 0.00 0.00 64.05 60.88 1b3u n THR 74 Cb 0.18 0.49 0.42 0.00 -2.10 0.00 0.00 70.33 69.32 1b3u n THR 74 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1b3u n PHE 75 N 0.45 0.15 -0.14 4.78 3.01 -1.00 -4.55 117.46 120.16 1b3u n PHE 75 Ca 0.11 -0.07 -0.09 0.00 1.01 0.00 0.00 57.45 58.41 1b3u n PHE 75 Cb 0.43 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.86 1b3u n PHE 75 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1b3u h THR 76 N 1.54 0.12 -0.46 4.37 2.02 -1.83 -1.56 112.91 117.12 1b3u h THR 76 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 1b3u h THR 76 Cb 0.34 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1b3u h THR 76 CO 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 175.52 175.86 1b3u h THR 77 N -0.30 1.27 0.00 3.16 1.03 -1.91 -1.95 112.91 114.21 1b3u h THR 77 Ca 0.15 -1.10 0.00 0.00 -0.01 0.00 0.00 66.41 65.45 1b3u h THR 77 Cb 0.58 1.06 0.00 0.00 -1.07 0.00 0.00 68.15 68.71 1b3u h THR 77 CO -0.60 0.38 0.00 0.18 -0.01 0.00 0.00 175.52 175.47 1b3u n LEU 78 N -4.34 0.35 -0.43 0.00 4.77 -0.75 -0.99 117.00 115.62 1b3u n LEU 78 Ca 0.00 0.66 0.09 0.00 -0.03 0.00 0.00 56.01 56.73 1b3u n LEU 78 Cb 0.33 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1b3u n LEU 78 CO 0.42 -0.78 0.29 0.55 -1.33 0.00 0.00 177.39 176.55 1b3u n VAL 79 N -1.97 0.00 0.00 4.08 3.14 -0.66 -4.65 118.33 118.27 1b3u n VAL 79 Ca -0.01 -0.33 0.00 0.00 -2.96 0.00 0.00 64.34 61.04 1b3u n VAL 79 Cb 0.02 1.22 0.00 0.00 -1.06 0.00 0.00 33.84 34.03 1b3u n VAL 79 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1b3u n GLY 80 N 1.20 1.65 0.00 7.55 0.00 -0.16 -4.80 105.19 110.63 1b3u n GLY 80 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1b3u n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b3u n GLY 81 N -0.61 -1.23 0.56 -0.02 0.00 -0.76 -4.42 105.19 98.70 1b3u n GLY 81 Ca 0.00 -1.59 0.38 0.00 0.00 0.00 0.00 46.02 44.81 1b3u n GLY 81 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1b3u h PRO 82 N 0.00 0.00 0.00 1.61 0.11 -1.83 0.19 132.00 132.08 1b3u h PRO 82 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 1b3u h PRO 82 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1b3u h PRO 82 CO 0.00 0.00 -0.11 1.49 -0.21 0.00 0.00 178.00 179.17 1b3u h GLU 83 N 0.00 0.00 0.00 1.05 4.81 -1.90 -3.10 114.58 115.44 1b3u h GLU 83 Ca 0.62 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.85 1b3u h GLU 83 Cb 2.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.93 1b3u h GLU 83 CO -0.01 0.11 0.00 0.66 -0.73 0.00 0.00 179.01 179.04 1b3u n TYR 84 N -3.81 0.00 0.26 0.92 4.01 0.01 -4.77 117.16 113.79 1b3u n TYR 84 Ca -0.02 -0.24 0.18 0.00 -0.16 0.00 0.00 57.90 57.66 1b3u n TYR 84 Cb 0.21 -0.02 0.92 0.00 -0.31 0.00 0.00 39.34 40.13 1b3u n TYR 84 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1b3u h VAL 85 N 0.17 0.27 0.00 -0.72 2.07 -1.37 0.05 116.25 116.72 1b3u h VAL 85 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1b3u h VAL 85 Cb 0.30 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1b3u h VAL 85 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1b3u n HIS 86 N -3.46 0.84 0.31 1.57 1.44 -1.26 -2.29 115.22 112.37 1b3u n HIS 86 Ca -0.00 0.35 0.10 0.00 -2.01 0.00 0.00 57.72 56.16 1b3u n HIS 86 Cb 0.28 -1.07 0.47 0.00 0.12 0.00 0.00 29.99 29.79 1b3u n HIS 86 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1b3u n LEU 88 N -2.12 0.53 -0.12 0.00 4.77 -0.97 -4.26 117.00 114.83 1b3u n LEU 88 Ca 0.01 0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.91 1b3u n LEU 88 Cb 0.15 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1b3u n LEU 88 CO 0.15 0.12 0.82 -0.07 -1.33 0.00 0.00 177.39 177.08 1b3u h LEU 89 N 0.27 0.59 -0.14 2.23 3.38 -1.50 -3.01 115.31 117.13 1b3u h LEU 89 Ca 0.00 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.74 1b3u h LEU 89 Cb 0.49 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1b3u h LEU 89 CO 0.00 0.70 -0.10 -0.65 0.09 0.00 0.00 178.44 178.48 1b3u h PRO 90 N 0.45 -0.10 -0.36 1.13 0.11 -1.78 0.14 132.00 131.59 1b3u h PRO 90 Ca 0.11 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.17 1b3u h PRO 90 Cb 0.37 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 1b3u h PRO 90 CO 0.01 -0.07 -0.02 -1.00 -0.21 0.00 0.00 178.00 176.72 1b3u h PRO 91 N -0.10 0.57 -0.01 1.05 0.13 -1.82 -2.43 132.00 129.39 1b3u h PRO 91 Ca 0.09 -0.13 -0.16 0.00 -0.87 0.00 0.00 66.00 64.93 1b3u h PRO 91 Cb 0.23 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.27 1b3u h PRO 91 CO -0.21 0.60 -0.74 -0.07 -0.23 0.00 0.00 178.00 177.36 1b3u h LEU 92 N 0.54 0.07 -0.51 1.56 3.38 -1.35 -2.70 115.31 116.30 1b3u h LEU 92 Ca 0.11 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1b3u h LEU 92 Cb 0.37 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1b3u h LEU 92 CO 0.01 0.78 0.27 -0.08 0.09 0.00 0.00 178.44 179.52 1b3u h GLU 93 N 0.04 0.72 0.32 1.13 4.81 -0.38 -0.80 114.58 120.41 1b3u h GLU 93 Ca -0.01 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1b3u h GLU 93 Cb 1.30 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 1b3u h GLU 93 CO 0.10 0.57 -0.18 1.03 -0.73 0.00 0.00 179.01 179.81 1b3u h SER 94 N 0.68 -0.44 0.04 1.04 0.87 -1.34 -2.35 113.55 112.06 1b3u h SER 94 Ca 0.18 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1b3u h SER 94 Cb 0.07 0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1b3u h SER 94 CO -0.03 -0.29 -0.00 -0.07 -0.53 0.00 0.00 176.83 175.91 1b3u h LEU 95 N -0.47 0.00 -0.24 2.23 3.38 -1.25 -0.25 115.31 118.71 1b3u h LEU 95 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1b3u h LEU 95 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1b3u h LEU 95 CO 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 178.44 178.53 1b3u n ALA 96 N -2.11 2.68 0.33 1.53 0.00 -0.33 -3.51 120.51 119.10 1b3u n ALA 96 Ca -0.03 -0.26 0.04 0.00 0.00 0.00 0.00 53.44 53.19 1b3u n ALA 96 Cb 0.08 -1.38 -0.00 0.00 0.00 0.00 0.00 19.45 18.14 1b3u n ALA 96 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1b3u n THR 97 N -0.84 0.00 -0.65 0.00 -1.04 -0.11 -4.56 114.28 107.08 1b3u n THR 97 Ca 0.18 -0.41 -0.31 0.00 -2.04 0.00 0.00 64.05 61.46 1b3u n THR 97 Cb 0.23 1.08 0.18 0.00 -1.82 0.00 0.00 70.33 70.01 1b3u n THR 97 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1b3u n VAL 98 N -0.37 0.00 0.00 12.58 0.31 -1.20 -4.82 118.33 124.83 1b3u n VAL 98 Ca 0.03 -0.27 -0.16 0.00 -0.01 0.00 0.00 64.34 63.93 1b3u n VAL 98 Cb 0.15 -0.76 -0.06 0.00 -0.91 0.00 0.00 33.84 32.26 1b3u n VAL 98 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1b3u h GLU 99 N -2.08 0.71 -6.19 5.55 4.57 -1.96 -3.44 114.58 111.74 1b3u h GLU 99 Ca -0.52 -0.61 -0.56 0.00 -1.18 0.00 0.00 59.36 56.49 1b3u h GLU 99 Cb 1.32 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 30.01 1b3u h GLU 99 CO 0.40 1.22 0.87 -2.00 -1.18 0.00 0.00 179.01 178.33 1b3u s GLU 100 N -3.64 4.25 0.24 1.92 2.56 -1.26 -4.94 118.70 117.83 1b3u s GLU 100 Ca -0.09 1.69 -0.05 0.00 0.00 0.00 0.00 54.97 56.52 1b3u s GLU 100 Cb 0.09 -3.73 0.38 0.00 2.00 0.00 0.00 34.13 32.86 1b3u s GLU 100 CO 0.90 -0.66 1.81 0.00 -0.56 0.00 0.00 175.26 176.75 1b3u h THR 101 N 5.40 0.93 0.00 -1.70 1.03 -2.01 -2.29 112.91 114.26 1b3u h THR 101 Ca -0.29 -0.27 -0.03 0.00 -0.01 0.00 0.00 66.41 65.81 1b3u h THR 101 Cb 1.12 0.06 -0.00 0.00 -1.07 0.00 0.00 68.15 68.25 1b3u h THR 101 CO 0.95 0.15 -0.16 -0.37 -0.01 0.00 0.00 175.52 176.08 1b3u h VAL 102 N 0.79 0.70 -0.07 0.00 -1.51 -1.99 -1.37 116.25 112.81 1b3u h VAL 102 Ca 0.39 -0.65 -0.23 0.00 -1.23 0.00 0.00 66.70 64.98 1b3u h VAL 102 Cb 0.33 1.40 0.01 0.00 -2.13 0.00 0.00 31.29 30.91 1b3u h VAL 102 CO -0.23 0.15 -0.84 0.58 -1.23 0.00 0.00 177.57 176.00 1b3u h VAL 103 N 0.00 1.30 -0.51 7.19 2.07 -1.78 -2.26 116.25 122.27 1b3u h VAL 103 Ca -0.00 -2.08 -0.01 0.00 0.82 0.00 0.00 66.70 65.43 1b3u h VAL 103 Cb 0.39 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 1b3u h VAL 103 CO 0.02 0.64 0.27 0.03 0.02 0.00 0.00 177.57 178.55 1b3u h ARG 104 N 0.36 0.71 -0.52 1.57 3.08 -1.18 -1.30 114.38 117.12 1b3u h ARG 104 Ca -0.09 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 1b3u h ARG 104 Cb 1.49 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.38 1b3u h ARG 104 CO 0.17 0.57 0.24 -0.44 -1.07 0.00 0.00 179.97 179.44 1b3u h ASP 105 N 0.68 0.65 -0.40 7.04 3.32 -1.28 -0.67 116.42 125.76 1b3u h ASP 105 Ca 0.18 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 1b3u h ASP 105 Cb 0.07 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1b3u h ASP 105 CO -0.03 0.56 -0.25 0.50 -1.72 0.00 0.00 179.24 178.30 1b3u h LYS 106 N 0.72 0.88 -0.43 3.56 1.63 -0.89 -1.60 116.57 120.45 1b3u h LYS 106 Ca 0.18 -0.41 -0.01 0.00 -0.85 0.00 0.00 60.65 59.56 1b3u h LYS 106 Cb 0.09 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 1b3u h LYS 106 CO -0.02 1.06 0.22 0.00 -3.45 0.00 0.00 179.45 177.25 1b3u h ALA 107 N 0.80 0.55 -0.74 5.00 0.00 -0.58 -1.54 119.26 122.75 1b3u h ALA 107 Ca 0.08 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1b3u h ALA 107 Cb 0.83 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1b3u h ALA 107 CO 0.07 0.09 0.44 0.28 0.00 0.00 0.00 179.25 180.14 1b3u h VAL 108 N 0.55 1.04 -0.65 0.00 2.07 -1.01 0.83 116.25 119.07 1b3u h VAL 108 Ca 0.15 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.39 1b3u h VAL 108 Cb 0.09 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 1b3u h VAL 108 CO -0.02 0.15 0.43 -0.08 0.02 0.00 0.00 177.57 178.07 1b3u h GLU 109 N 0.84 0.85 -0.53 1.57 4.81 -0.84 -0.31 114.58 120.96 1b3u h GLU 109 Ca 0.32 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.39 1b3u h GLU 109 Cb 0.12 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1b3u h GLU 109 CO -0.15 0.56 -0.07 0.77 -0.73 0.00 0.00 179.01 179.39 1b3u h SER 110 N 0.87 0.98 -0.92 1.04 0.02 -0.42 -1.65 113.55 113.48 1b3u h SER 110 Ca 0.24 -0.34 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1b3u h SER 110 Cb -0.09 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.13 1b3u h SER 110 CO -0.05 1.09 0.56 -0.07 -1.14 0.00 0.00 176.83 177.22 1b3u h LEU 111 N 0.86 1.09 -0.33 5.07 3.38 -0.40 -1.20 115.31 123.77 1b3u h LEU 111 Ca 0.14 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1b3u h LEU 111 Cb 0.63 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1b3u h LEU 111 CO 0.04 0.83 0.14 0.03 0.09 0.00 0.00 178.44 179.57 1b3u h ARG 112 N 1.26 0.49 -0.69 1.13 3.08 -0.84 -1.75 114.38 117.07 1b3u h ARG 112 Ca 0.33 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.31 1b3u h ARG 112 Cb -0.07 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.86 1b3u h ARG 112 CO -0.06 0.49 0.45 0.00 -1.07 0.00 0.00 179.97 179.77 1b3u h ALA 113 N 0.98 0.88 -0.00 0.04 0.00 -0.71 -2.62 119.26 117.83 1b3u h ALA 113 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1b3u h ALA 113 Cb 0.17 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1b3u h ALA 113 CO -0.01 0.27 -0.17 0.44 0.00 0.00 0.00 179.25 179.78 1b3u n ILE 114 N -4.63 0.00 -0.29 0.00 -5.35 -0.51 -3.62 119.36 104.97 1b3u n ILE 114 Ca 0.06 -0.02 -0.05 0.00 -0.27 0.00 0.00 62.75 62.47 1b3u n ILE 114 Cb 0.04 -0.15 0.07 0.00 -1.74 0.00 0.00 39.64 37.86 1b3u n ILE 114 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1b3u h SER 115 N 0.23 0.99 -0.46 7.28 4.64 -0.91 -1.53 113.55 123.79 1b3u h SER 115 Ca 0.00 -0.10 0.13 0.00 -0.47 0.00 0.00 61.79 61.35 1b3u h SER 115 Cb 0.44 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1b3u h SER 115 CO 0.00 0.81 0.35 0.45 -0.87 0.00 0.00 176.83 177.56 1b3u h HIS 116 N 1.09 0.00 0.00 4.77 3.86 -1.66 0.26 115.15 123.47 1b3u h HIS 116 Ca 0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 1b3u h HIS 116 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1b3u h HIS 116 CO 0.00 0.00 0.00 0.39 0.86 0.00 0.00 177.93 179.18 1b3u n GLU 117 N -4.27 0.11 -2.85 2.45 -0.58 -0.58 -4.81 120.64 110.12 1b3u n GLU 117 Ca 0.08 0.11 -0.38 0.00 -0.42 0.00 0.00 57.16 56.56 1b3u n GLU 117 Cb 0.55 -1.64 -0.06 0.00 -0.57 0.00 0.00 31.44 29.72 1b3u n GLU 117 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1b3u s HIS 118 N -3.05 3.78 0.48 -0.32 3.76 0.91 -4.68 115.29 116.17 1b3u s HIS 118 Ca 0.12 1.74 -0.07 0.00 -0.15 0.00 0.00 55.06 56.70 1b3u s HIS 118 Cb 0.15 -2.87 -0.04 0.00 1.11 0.00 0.00 32.58 30.93 1b3u s HIS 118 CO 0.54 0.33 0.80 -1.54 -0.85 0.00 0.00 174.74 174.02 1b3u s SER 119 N -1.46 6.31 0.28 1.40 1.04 -1.26 -4.81 113.70 115.20 1b3u s SER 119 Ca 0.45 1.02 0.02 0.00 0.48 0.00 0.00 55.95 57.91 1b3u s SER 119 Cb -0.21 -2.28 0.65 0.00 0.10 0.00 0.00 66.02 64.28 1b3u s SER 119 CO 0.26 -0.57 1.71 -0.65 0.98 0.00 0.00 173.24 174.97 1b3u h PRO 120 N 0.39 0.42 -0.38 4.02 0.11 -1.97 0.18 132.00 134.77 1b3u h PRO 120 Ca -0.47 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.68 1b3u h PRO 120 Cb 1.20 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 1b3u h PRO 120 CO 0.62 0.28 0.06 0.77 -0.21 0.00 0.00 178.00 179.52 1b3u h SER 121 N 0.43 -0.03 0.40 -2.05 0.02 -1.93 -1.26 113.55 109.13 1b3u h SER 121 Ca 0.52 0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 61.45 1b3u h SER 121 Cb 0.92 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 1b3u h SER 121 CO -0.49 0.02 -0.40 0.44 -1.14 0.00 0.00 176.83 175.27 1b3u h ASP 122 N 0.18 0.00 -0.24 3.07 3.32 -1.13 0.12 116.42 121.74 1b3u h ASP 122 Ca 0.18 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1b3u h ASP 122 Cb 0.23 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1b3u h ASP 122 CO -0.26 0.40 0.03 -0.07 -1.72 0.00 0.00 179.24 177.62 1b3u h LEU 123 N 0.00 0.38 -0.44 1.55 3.38 -0.04 0.30 115.31 120.45 1b3u h LEU 123 Ca -0.00 -0.27 -0.18 0.00 0.09 0.00 0.00 57.88 57.52 1b3u h LEU 123 Cb 0.70 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1b3u h LEU 123 CO 0.05 0.56 -0.69 -0.33 0.09 0.00 0.00 178.44 178.12 1b3u h GLU 124 N 0.20 0.41 0.00 1.13 5.08 -0.98 0.13 114.58 120.55 1b3u h GLU 124 Ca 0.07 -0.32 -0.18 0.00 -1.00 0.00 0.00 59.36 57.93 1b3u h GLU 124 Cb 0.34 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1b3u h GLU 124 CO 0.01 0.95 -0.93 0.00 -1.00 0.00 0.00 179.01 178.03 1b3u h ALA 125 N 0.96 0.51 0.00 3.43 0.00 -0.71 -3.41 119.26 120.04 1b3u h ALA 125 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1b3u h ALA 125 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1b3u h ALA 125 CO 0.12 1.06 -0.35 0.72 0.00 0.00 0.00 179.25 180.80 1b3u n HIS 126 N -3.25 -0.44 0.11 0.00 8.25 0.10 -4.74 115.22 115.25 1b3u n HIS 126 Ca -0.02 0.08 -0.13 0.00 -0.26 0.00 0.00 57.72 57.40 1b3u n HIS 126 Cb 0.88 0.21 -0.06 0.00 1.12 0.00 0.00 29.99 32.14 1b3u n HIS 126 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1b3u h PHE 127 N 0.00 -0.36 -0.54 4.41 3.57 -1.09 -2.35 116.94 120.57 1b3u h PHE 127 Ca 0.00 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1b3u h PHE 127 Cb 0.35 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 1b3u h PHE 127 CO 0.00 -0.21 0.32 0.28 -2.23 0.00 0.00 178.31 176.47 1b3u h VAL 128 N -0.30 1.04 -0.13 1.41 2.07 -1.02 -1.17 116.25 118.16 1b3u h VAL 128 Ca 0.01 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1b3u h VAL 128 Cb 0.29 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1b3u h VAL 128 CO -0.05 0.12 0.08 -0.65 0.02 0.00 0.00 177.57 177.09 1b3u h PRO 129 N 0.63 0.15 0.20 1.57 0.11 -1.75 0.11 132.00 133.02 1b3u h PRO 129 Ca 0.22 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 1b3u h PRO 129 Cb 0.04 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1b3u h PRO 129 CO -0.11 0.10 -0.10 1.25 -0.21 0.00 0.00 178.00 178.94 1b3u h LEU 130 N 0.16 -0.23 -1.04 2.35 5.85 -0.71 -1.30 115.31 120.39 1b3u h LEU 130 Ca 0.05 -0.13 0.17 0.00 0.84 0.00 0.00 57.88 58.80 1b3u h LEU 130 Cb -0.00 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 40.99 1b3u h LEU 130 CO -0.01 0.00 0.62 0.58 -0.34 0.00 0.00 178.44 179.29 1b3u h VAL 131 N -0.45 0.78 0.27 1.05 2.07 -0.18 -1.61 116.25 118.18 1b3u h VAL 131 Ca -0.03 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1b3u h VAL 131 Cb 0.34 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1b3u h VAL 131 CO 0.04 0.15 -0.13 0.11 0.02 0.00 0.00 177.57 177.77 1b3u h LYS 132 N 0.83 -0.35 -0.76 1.57 6.56 -0.33 -0.74 116.57 123.34 1b3u h LYS 132 Ca 0.54 0.02 0.01 0.00 -1.06 0.00 0.00 60.65 60.17 1b3u h LYS 132 Cb 0.77 0.08 -0.04 0.00 -0.57 0.00 0.00 32.23 32.47 1b3u h LYS 132 CO -0.33 -0.20 0.50 0.00 -2.06 0.00 0.00 179.45 177.36 1b3u h ARG 133 N -0.41 0.98 -0.23 3.15 3.08 -0.66 -1.40 114.38 118.89 1b3u h ARG 133 Ca -0.04 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1b3u h ARG 133 Cb 0.31 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1b3u h ARG 133 CO 0.06 0.65 0.09 -0.07 -1.07 0.00 0.00 179.97 179.63 1b3u h LEU 134 N 1.01 0.33 -1.83 3.04 4.07 -1.24 -1.60 115.31 119.08 1b3u h LEU 134 Ca 0.28 -0.17 -0.02 0.00 0.08 0.00 0.00 57.88 58.06 1b3u h LEU 134 Cb -0.10 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 41.55 1b3u h LEU 134 CO -0.07 0.41 -0.06 0.00 -1.08 0.00 0.00 178.44 177.64 1b3u h ALA 135 N 0.93 1.86 -0.48 1.53 0.00 -0.80 -2.52 119.26 119.79 1b3u h ALA 135 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1b3u h ALA 135 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1b3u h ALA 135 CO -0.01 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.76 1b3u n GLY 136 N -1.33 3.19 3.72 0.00 0.00 -0.56 -4.77 105.19 105.44 1b3u n GLY 136 Ca -0.02 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 1b3u n GLY 136 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b3u s GLY 137 N -1.19 1.88 0.32 -0.02 0.00 -0.63 -4.96 107.32 102.72 1b3u s GLY 137 Ca 0.46 0.57 0.17 0.00 0.00 0.00 0.00 44.72 45.92 1b3u s GLY 137 CO 0.17 0.96 1.56 -0.55 0.00 0.00 0.00 173.10 175.24 1b3u h ASP 138 N -1.14 0.00 -3.39 1.64 3.32 -1.91 -3.44 116.42 111.51 1b3u h ASP 138 Ca -0.45 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 55.98 1b3u h ASP 138 Cb 1.26 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.65 1b3u h ASP 138 CO 0.47 0.47 -0.56 0.86 -1.72 0.00 0.00 179.24 178.75 1b3u s TRP 139 N -3.22 3.24 0.57 4.55 -0.11 -1.26 -5.00 118.94 117.71 1b3u s TRP 139 Ca 0.02 0.03 0.28 0.00 1.22 0.00 0.00 56.10 57.65 1b3u s TRP 139 Cb 0.09 -2.13 1.54 0.00 -1.50 0.00 0.00 33.47 31.47 1b3u s TRP 139 CO 0.72 0.07 2.03 0.27 -4.62 0.00 0.00 176.95 175.42 1b3u h PHE 140 N 7.04 0.00 -0.13 5.86 -5.15 -1.99 -1.11 116.94 121.46 1b3u h PHE 140 Ca -0.37 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.36 1b3u h PHE 140 Cb 1.17 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.33 1b3u h PHE 140 CO 0.59 0.00 -0.11 1.79 -2.00 0.00 0.00 178.31 178.58 1b3u h THR 141 N 0.00 1.16 -0.61 0.88 1.35 -1.94 -1.33 112.91 112.42 1b3u h THR 141 Ca 0.15 -0.69 -0.07 0.00 -0.55 0.00 0.00 66.41 65.26 1b3u h THR 141 Cb 0.77 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 68.35 1b3u h THR 141 CO -0.00 0.21 0.12 0.28 -0.25 0.00 0.00 175.52 175.89 1b3u h SER 142 N 0.19 0.95 0.38 5.36 0.02 -1.44 -2.18 113.55 116.83 1b3u h SER 142 Ca 0.04 -0.25 -0.14 0.00 -0.84 0.00 0.00 61.79 60.60 1b3u h SER 142 Cb 0.33 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1b3u h SER 142 CO 0.02 0.95 -0.59 0.03 -1.14 0.00 0.00 176.83 176.10 1b3u h ARG 143 N 0.90 0.22 -0.25 3.45 3.08 -1.25 -2.41 114.38 118.11 1b3u h ARG 143 Ca 0.19 -0.15 -0.16 0.00 0.07 0.00 0.00 59.98 59.93 1b3u h ARG 143 Cb 0.39 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1b3u h ARG 143 CO 0.01 0.75 -0.48 1.79 -1.07 0.00 0.00 179.97 180.96 1b3u h THR 144 N 0.16 1.30 -0.63 2.04 1.35 -1.13 -3.11 112.91 112.90 1b3u h THR 144 Ca -0.00 -1.68 -0.07 0.00 -0.55 0.00 0.00 66.41 64.11 1b3u h THR 144 Cb 1.09 1.62 -0.03 0.00 -1.73 0.00 0.00 68.15 69.10 1b3u h THR 144 CO 0.09 0.54 0.13 0.28 -0.25 0.00 0.00 175.52 176.31 1b3u h SER 145 N 0.54 0.94 -0.49 5.36 0.02 -1.27 -2.91 113.55 115.74 1b3u h SER 145 Ca 0.03 -0.20 0.08 0.00 -0.84 0.00 0.00 61.79 60.86 1b3u h SER 145 Cb 1.03 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.30 1b3u h SER 145 CO 0.10 0.93 0.33 0.00 -1.14 0.00 0.00 176.83 177.05 1b3u h ALA 146 N 1.19 2.03 -0.44 3.77 0.00 -1.36 -2.84 119.26 121.61 1b3u h ALA 146 Ca 0.20 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.19 1b3u h ALA 146 Cb 0.37 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1b3u h ALA 146 CO 0.00 -0.14 0.30 0.00 0.00 0.00 0.00 179.25 179.42 1b3u n GLY 148 N -1.57 1.84 0.32 0.00 0.00 -1.07 -4.05 105.19 100.66 1b3u n GLY 148 Ca 0.07 -0.55 0.04 0.00 0.00 0.00 0.00 46.02 45.59 1b3u n GLY 148 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b3u n LEU 149 N 0.62 1.62 -0.03 0.99 4.77 -0.82 -4.72 117.00 119.42 1b3u n LEU 149 Ca 0.17 -0.95 -0.15 0.00 -0.03 0.00 0.00 56.01 55.04 1b3u n LEU 149 Cb 0.63 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.60 1b3u n LEU 149 CO 0.16 0.32 0.39 -0.26 -1.33 0.00 0.00 177.39 176.67 1b3u h PHE 150 N 1.58 0.18 -0.74 -1.77 -1.00 -1.71 -3.36 116.94 110.13 1b3u h PHE 150 Ca 0.00 -0.11 0.10 0.00 2.81 0.00 0.00 57.97 60.77 1b3u h PHE 150 Cb 0.35 -0.02 -0.07 0.00 3.61 0.00 0.00 35.95 39.82 1b3u h PHE 150 CO 0.00 0.94 0.37 0.66 -1.61 0.00 0.00 178.31 178.68 1b3u h SER 151 N -0.63 0.49 0.36 2.17 4.64 -1.86 -2.24 113.55 116.47 1b3u h SER 151 Ca -0.03 0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 61.27 1b3u h SER 151 Cb 1.00 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1b3u h SER 151 CO 0.04 0.27 -0.40 -0.37 -0.87 0.00 0.00 176.83 175.50 1b3u h VAL 152 N 0.62 1.29 0.00 0.95 -1.51 -1.88 -3.30 116.25 112.42 1b3u h VAL 152 Ca 0.37 -1.41 -0.01 0.00 -1.23 0.00 0.00 66.70 64.42 1b3u h VAL 152 Cb 0.40 1.72 -0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1b3u h VAL 152 CO -0.28 0.41 -1.85 0.00 -1.23 0.00 0.00 177.57 174.61 1b3u h TYR 154 N 0.00 -0.92 -0.04 0.00 3.20 -1.49 -3.04 116.97 114.68 1b3u h TYR 154 Ca -0.02 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.89 1b3u h TYR 154 Cb 1.05 0.40 -0.00 0.00 1.54 0.00 0.00 36.73 39.71 1b3u h TYR 154 CO 0.00 -0.43 0.06 -1.00 -1.64 0.00 0.00 178.16 175.15 1b3u h PRO 155 N -0.52 0.00 -0.09 1.82 0.13 -1.83 -3.00 132.00 128.51 1b3u h PRO 155 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1b3u h PRO 155 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 1b3u h PRO 155 CO -0.24 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.07 1b3u n ARG 156 N -3.73 1.97 -3.86 0.86 1.74 -1.15 -4.96 116.66 107.54 1b3u n ARG 156 Ca -0.02 -1.42 -0.22 0.00 -0.77 0.00 0.00 57.85 55.42 1b3u n ARG 156 Cb 0.15 -1.46 -0.05 0.00 -1.02 0.00 0.00 32.46 30.08 1b3u n ARG 156 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1b3u s VAL 157 N -1.91 2.88 1.03 1.55 -7.23 -1.14 -4.72 120.40 110.86 1b3u s VAL 157 Ca 0.34 -1.50 -0.12 0.00 -1.81 0.00 0.00 61.98 58.89 1b3u s VAL 157 Cb 0.20 -3.03 0.21 0.00 0.56 0.00 0.00 36.38 34.32 1b3u s VAL 157 CO 0.31 -0.09 1.08 -0.94 -0.31 0.00 0.00 175.10 175.16 1b3u s SER 158 N -3.99 2.11 0.40 4.85 1.04 -1.26 -4.74 113.70 112.11 1b3u s SER 158 Ca 0.43 1.77 0.09 0.00 0.48 0.00 0.00 55.95 58.72 1b3u s SER 158 Cb -0.02 -2.39 0.81 0.00 0.10 0.00 0.00 66.02 64.52 1b3u s SER 158 CO 0.25 -3.54 1.95 0.77 0.98 0.00 0.00 173.24 173.65 1b3u h SER 159 N -2.17 0.26 -0.44 7.02 4.64 -1.99 -1.10 113.55 119.78 1b3u h SER 159 Ca -0.53 -0.04 -0.11 0.00 -0.47 0.00 0.00 61.79 60.64 1b3u h SER 159 Cb 1.30 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 1b3u h SER 159 CO 0.48 0.36 -0.12 0.00 -0.87 0.00 0.00 176.83 176.68 1b3u h ALA 160 N 1.67 0.86 0.04 5.18 0.00 -2.01 -2.42 119.26 122.59 1b3u h ALA 160 Ca 0.06 -0.34 -0.22 0.00 0.00 0.00 0.00 54.91 54.41 1b3u h ALA 160 Cb 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1b3u h ALA 160 CO 0.01 0.64 -1.02 0.28 0.00 0.00 0.00 179.25 179.17 1b3u h VAL 161 N 0.81 1.55 -0.62 0.00 2.07 -1.83 -3.17 116.25 115.07 1b3u h VAL 161 Ca 0.13 -2.96 0.01 0.00 0.82 0.00 0.00 66.70 64.70 1b3u h VAL 161 Cb 0.65 2.71 -0.03 0.00 -1.52 0.00 0.00 31.29 33.10 1b3u h VAL 161 CO 0.05 0.86 0.41 0.11 0.02 0.00 0.00 177.57 179.02 1b3u h LYS 162 N 0.07 0.81 -0.48 1.57 1.57 -1.05 -1.50 116.57 117.56 1b3u h LYS 162 Ca -0.06 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.57 1b3u h LYS 162 Cb 1.72 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.83 1b3u h LYS 162 CO 0.15 0.54 -0.10 0.00 -0.57 0.00 0.00 179.45 179.47 1b3u h ALA 163 N 1.61 0.92 -0.46 3.86 0.00 -1.41 -1.76 119.26 122.03 1b3u h ALA 163 Ca 0.23 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1b3u h ALA 163 Cb -0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1b3u h ALA 163 CO -0.05 0.63 -0.04 0.93 0.00 0.00 0.00 179.25 180.72 1b3u h GLU 164 N 0.79 0.83 -0.74 0.00 5.08 -1.34 -2.00 114.58 117.21 1b3u h GLU 164 Ca 0.13 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1b3u h GLU 164 Cb 0.61 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 1b3u h GLU 164 CO 0.04 0.91 0.47 -0.07 -1.00 0.00 0.00 179.01 179.36 1b3u h LEU 165 N 0.68 0.87 -1.49 1.33 3.38 -1.10 -0.13 115.31 118.84 1b3u h LEU 165 Ca 0.12 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1b3u h LEU 165 Cb 0.56 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1b3u h LEU 165 CO 0.03 0.65 -0.05 0.03 0.09 0.00 0.00 178.44 179.20 1b3u h ARG 166 N 1.00 0.27 -0.09 1.13 3.08 -1.10 -0.73 114.38 117.95 1b3u h ARG 166 Ca 0.27 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 60.10 1b3u h ARG 166 Cb -0.07 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 29.94 1b3u h ARG 166 CO -0.05 0.34 -0.60 0.37 -1.07 0.00 0.00 179.97 178.95 1b3u h GLN 167 N 0.27 0.57 -0.41 0.04 5.75 -0.52 -2.13 115.11 118.68 1b3u h GLN 167 Ca 0.06 -0.49 -0.06 0.00 -0.15 0.00 0.00 58.65 58.01 1b3u h GLN 167 Cb 0.26 0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 1b3u h GLN 167 CO 0.01 1.12 0.00 1.88 -2.65 0.00 0.00 178.83 179.19 1b3u h TYR 168 N 0.18 0.69 -0.00 3.99 -1.99 -0.73 -0.77 116.97 118.34 1b3u h TYR 168 Ca -0.05 -0.08 -0.11 0.00 2.00 0.00 0.00 58.73 60.49 1b3u h TYR 168 Cb 1.26 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 39.78 1b3u h TYR 168 CO 0.11 0.66 -0.52 0.35 -0.00 0.00 0.00 178.16 178.76 1b3u h PHE 169 N 0.63 0.01 -0.11 4.88 3.04 -1.11 -2.34 116.94 121.93 1b3u h PHE 169 Ca 0.13 -0.00 -0.16 0.00 3.98 0.00 0.00 57.97 61.92 1b3u h PHE 169 Cb 0.39 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.89 1b3u h PHE 169 CO 0.02 0.52 -0.60 -0.09 -2.02 0.00 0.00 178.31 176.14 1b3u h ARG 170 N 0.01 0.38 -0.52 1.11 2.43 -0.64 -2.59 114.38 114.56 1b3u h ARG 170 Ca -0.00 -0.26 -0.07 0.00 -0.81 0.00 0.00 59.98 58.84 1b3u h ARG 170 Cb 0.92 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.48 1b3u h ARG 170 CO 0.07 0.87 0.06 -0.91 -1.51 0.00 0.00 179.97 178.54 1b3u h ASN 171 N 0.29 0.79 -0.34 -3.80 2.35 -0.67 -2.97 115.58 111.22 1b3u h ASN 171 Ca -0.00 -0.17 -0.16 0.00 -0.55 0.00 0.00 56.30 55.41 1b3u h ASN 171 Cb 1.13 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.28 1b3u h ASN 171 CO 0.10 0.83 -0.41 -0.07 -1.65 0.00 0.00 177.43 176.23 1b3u h LEU 172 N 0.79 0.97 -2.21 1.61 3.38 -1.30 -2.46 115.31 116.08 1b3u h LEU 172 Ca 0.16 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1b3u h LEU 172 Cb 0.39 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1b3u h LEU 172 CO 0.01 1.24 -0.04 0.00 0.09 0.00 0.00 178.44 179.74 1b3u n SER 174 N -3.94 4.44 -4.73 0.00 7.64 -1.06 -4.77 113.62 111.20 1b3u n SER 174 Ca -0.03 -2.90 -0.34 0.00 1.01 0.00 0.00 58.87 56.61 1b3u n SER 174 Cb 0.13 -0.57 0.08 0.00 -1.01 0.00 0.00 64.21 62.84 1b3u n SER 174 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1b3u s ASP 175 N -1.48 4.41 0.34 6.43 -1.08 -0.74 -4.93 116.67 119.61 1b3u s ASP 175 Ca 0.45 2.34 0.10 0.00 -0.52 0.00 0.00 52.55 54.93 1b3u s ASP 175 Cb 0.35 -2.59 0.59 0.00 -1.46 0.00 0.00 42.92 39.82 1b3u s ASP 175 CO 0.12 -2.12 1.77 0.44 0.52 0.00 0.00 175.17 175.90 1b3u h ASP 176 N -0.09 0.11 -3.25 -0.34 5.19 -1.90 -3.43 116.42 112.70 1b3u h ASP 176 Ca -0.48 -0.04 -0.59 0.00 -0.62 0.00 0.00 57.03 55.30 1b3u h ASP 176 Cb 1.29 -0.03 -0.08 0.00 0.18 0.00 0.00 39.33 40.69 1b3u h ASP 176 CO 0.51 0.49 0.52 -0.89 -3.12 0.00 0.00 179.24 176.75 1b3u s THR 177 N -4.16 4.82 0.28 0.35 2.01 -1.26 -4.94 115.64 112.73 1b3u s THR 177 Ca -0.03 1.65 0.01 0.00 0.31 0.00 0.00 61.69 63.63 1b3u s THR 177 Cb 0.14 -4.15 0.28 0.00 0.01 0.00 0.00 72.50 68.77 1b3u s THR 177 CO 0.75 -0.08 1.82 -0.65 -0.69 0.00 0.00 174.62 175.77 1b3u h PRO 178 N 7.59 0.91 -0.79 4.92 0.11 -2.00 -0.87 132.00 141.87 1b3u h PRO 178 Ca -0.23 -0.05 0.08 0.00 0.11 0.00 0.00 66.00 65.91 1b3u h PRO 178 Cb 1.09 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 31.95 1b3u h PRO 178 CO 0.89 0.60 0.52 0.52 -0.21 0.00 0.00 178.00 180.31 1b3u h MET 179 N 0.93 0.75 -0.09 1.05 2.86 -1.97 0.73 114.93 119.20 1b3u h MET 179 Ca 0.49 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 58.00 1b3u h MET 179 Cb 0.52 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1b3u h MET 179 CO -0.28 0.50 -0.28 0.28 1.06 0.00 0.00 176.91 178.19 1b3u h VAL 180 N 0.77 1.41 -0.26 -2.22 2.07 -1.52 -2.10 116.25 114.39 1b3u h VAL 180 Ca 0.36 -1.63 -0.03 0.00 0.82 0.00 0.00 66.70 66.22 1b3u h VAL 180 Cb 0.37 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 1b3u h VAL 180 CO -0.13 0.47 0.05 0.03 0.02 0.00 0.00 177.57 178.01 1b3u h ARG 181 N -0.11 0.38 -0.43 1.57 3.08 -0.91 -0.72 114.38 117.23 1b3u h ARG 181 Ca -0.01 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.85 1b3u h ARG 181 Cb 0.90 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 1b3u h ARG 181 CO 0.06 0.37 -0.26 0.00 -1.07 0.00 0.00 179.97 179.07 1b3u h ARG 182 N 0.37 0.91 -0.68 0.04 3.08 -0.81 -1.45 114.38 115.84 1b3u h ARG 182 Ca 0.09 -0.40 -0.06 0.00 0.07 0.00 0.00 59.98 59.67 1b3u h ARG 182 Cb 0.18 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 1b3u h ARG 182 CO -0.00 1.06 0.18 0.00 -1.07 0.00 0.00 179.97 180.14 1b3u h ALA 183 N 0.92 0.90 0.06 0.04 0.00 -0.60 -2.43 119.26 118.15 1b3u h ALA 183 Ca 0.10 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1b3u h ALA 183 Cb 0.82 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1b3u h ALA 183 CO 0.07 0.61 -0.03 0.00 0.00 0.00 0.00 179.25 179.90 1b3u h ALA 184 N 1.08 -0.07 -0.95 0.00 0.00 -1.03 -3.00 119.26 115.28 1b3u h ALA 184 Ca 0.22 -0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.19 1b3u h ALA 184 Cb 0.35 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.07 1b3u h ALA 184 CO -0.00 -0.45 0.55 0.00 0.00 0.00 0.00 179.25 179.35 1b3u h ALA 185 N 0.67 1.50 0.00 0.00 0.00 -1.13 0.36 119.26 120.67 1b3u h ALA 185 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1b3u h ALA 185 Cb 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1b3u h ALA 185 CO 0.01 -0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 1b3u n SER 186 N -4.78 0.29 -0.36 0.00 3.41 -0.93 -2.68 113.62 108.57 1b3u n SER 186 Ca 0.20 0.55 0.04 0.00 -0.26 0.00 0.00 58.87 59.41 1b3u n SER 186 Cb 0.48 -0.62 0.05 0.00 -0.26 0.00 0.00 64.21 63.86 1b3u n SER 186 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1b3u n LYS 187 N -1.80 0.57 0.08 4.33 4.76 -0.01 -4.68 118.16 121.41 1b3u n LYS 187 Ca 0.04 -1.14 -0.13 0.00 -2.87 0.00 0.00 58.31 54.21 1b3u n LYS 187 Cb 0.26 -1.17 -0.08 0.00 -1.84 0.00 0.00 35.03 32.20 1b3u n LYS 187 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1b3u h LEU 188 N 1.66 -0.12 0.00 -0.35 5.85 -1.00 -1.36 115.31 119.99 1b3u h LEU 188 Ca 0.00 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.67 1b3u h LEU 188 Cb 0.40 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 1b3u h LEU 188 CO 0.00 0.00 -0.28 1.23 -0.34 0.00 0.00 178.44 179.05 1b3u h GLY 189 N -0.23 -0.45 0.27 3.75 0.00 -1.83 0.20 103.07 104.77 1b3u h GLY 189 Ca -0.01 0.34 0.14 0.00 0.00 0.00 0.00 47.33 47.79 1b3u h GLY 189 CO 0.02 -0.22 0.42 -2.09 0.00 0.00 0.00 176.54 174.67 1b3u h GLU 190 N -0.43 0.60 -0.17 4.80 4.81 -1.84 -1.13 114.58 121.22 1b3u h GLU 190 Ca 0.06 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.09 1b3u h GLU 190 Cb 0.52 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 1b3u h GLU 190 CO -0.24 0.40 -0.59 0.35 -0.73 0.00 0.00 179.01 178.19 1b3u h PHE 191 N 0.62 0.72 -0.52 0.92 3.57 -0.54 -3.12 116.94 118.59 1b3u h PHE 191 Ca 0.44 -0.27 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 1b3u h PHE 191 Cb 0.60 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 1b3u h PHE 191 CO -0.10 1.02 0.12 0.00 -2.23 0.00 0.00 178.31 177.12 1b3u h ALA 192 N 0.92 1.24 0.00 2.41 0.00 0.54 -2.80 119.26 121.57 1b3u h ALA 192 Ca -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1b3u h ALA 192 Cb 1.15 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1b3u h ALA 192 CO 0.11 0.53 -0.00 0.87 0.00 0.00 0.00 179.25 180.76 1b3u h LYS 193 N 0.77 0.00 -0.25 0.00 1.57 -1.22 -1.69 116.57 115.75 1b3u h LYS 193 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1b3u h LYS 193 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1b3u h LYS 193 CO -0.00 0.00 0.00 1.33 -0.57 0.00 0.00 179.45 180.21 1b3u n VAL 194 N -3.09 0.39 -2.88 0.50 0.24 -1.06 -4.99 118.33 107.44 1b3u n VAL 194 Ca -0.03 -0.70 -0.24 0.00 -2.04 0.00 0.00 64.34 61.33 1b3u n VAL 194 Cb 0.07 1.05 0.01 0.00 -1.47 0.00 0.00 33.84 33.50 1b3u n VAL 194 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1b3u s LEU 195 N -1.37 3.61 0.19 1.34 1.43 -0.64 -4.69 118.68 118.56 1b3u s LEU 195 Ca 0.29 0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 53.56 1b3u s LEU 195 Cb 0.18 -3.34 -0.08 0.00 0.03 0.00 0.00 46.19 42.98 1b3u s LEU 195 CO 0.25 -0.70 1.07 -1.61 0.23 0.00 0.00 176.35 175.59 1b3u s GLU 196 N -4.63 4.64 0.29 1.70 8.01 -1.26 -4.86 118.70 122.59 1b3u s GLU 196 Ca 0.48 1.68 -0.02 0.00 0.01 0.00 0.00 54.97 57.13 1b3u s GLU 196 Cb -0.10 -3.27 0.63 0.00 -4.31 0.00 0.00 34.13 27.08 1b3u s GLU 196 CO 0.40 0.15 1.58 1.25 0.01 0.00 0.00 175.26 178.65 1b3u h LEU 197 N 4.87 -0.55 -1.08 1.80 5.85 -1.97 0.48 115.31 124.70 1b3u h LEU 197 Ca -0.45 0.27 0.07 0.00 0.84 0.00 0.00 57.88 58.61 1b3u h LEU 197 Cb 1.21 0.49 -0.06 0.00 0.37 0.00 0.00 40.66 42.67 1b3u h LEU 197 CO 0.71 -0.32 0.62 0.44 -0.34 0.00 0.00 178.44 179.55 1b3u h ASP 198 N 0.02 0.96 1.08 1.25 3.32 -2.00 -0.85 116.42 120.21 1b3u h ASP 198 Ca 0.54 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.49 1b3u h ASP 198 Cb 1.03 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 1b3u h ASP 198 CO -0.90 0.61 -0.52 0.78 -1.72 0.00 0.00 179.24 177.49 1b3u h ASN 199 N 1.08 0.00 0.00 6.45 2.35 -0.50 -1.70 115.58 123.27 1b3u h ASN 199 Ca 0.42 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.17 1b3u h ASN 199 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1b3u h ASN 199 CO -0.17 0.52 -0.00 0.58 -1.65 0.00 0.00 177.43 176.71 1b3u h VAL 200 N 0.00 1.20 -0.71 2.81 2.07 0.20 0.22 116.25 122.03 1b3u h VAL 200 Ca -0.01 -0.58 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 1b3u h VAL 200 Cb 1.20 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 1b3u h VAL 200 CO 0.07 0.15 0.17 0.11 0.02 0.00 0.00 177.57 178.09 1b3u h LYS 201 N -0.25 1.14 0.00 1.57 1.57 -1.17 -2.09 116.57 117.35 1b3u h LYS 201 Ca -0.00 -0.28 -0.24 0.00 -1.87 0.00 0.00 60.65 58.26 1b3u h LYS 201 Cb 0.25 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 1b3u h LYS 201 CO 0.00 1.01 -1.46 0.66 -0.57 0.00 0.00 179.45 179.08 1b3u h SER 202 N 1.08 0.00 0.00 0.86 4.64 -1.30 -3.39 113.55 115.45 1b3u h SER 202 Ca 0.22 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.47 1b3u h SER 202 Cb 0.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1b3u h SER 202 CO 0.00 0.88 -1.26 -0.62 -0.87 0.00 0.00 176.83 174.96 1b3u n GLU 203 N -3.07 1.57 -0.04 4.77 1.02 0.05 -4.63 120.64 120.30 1b3u n GLU 203 Ca -0.12 0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 56.90 1b3u n GLU 203 Cb 0.97 -1.09 -0.08 0.00 -0.02 0.00 0.00 31.44 31.21 1b3u n GLU 203 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1b3u h ILE 204 N 0.00 1.40 -0.15 -3.67 1.08 -1.17 -3.09 117.51 111.90 1b3u h ILE 204 Ca -0.10 -1.53 0.04 0.00 -0.39 0.00 0.00 64.86 62.88 1b3u h ILE 204 Cb 1.19 2.15 -0.07 0.00 -3.07 0.00 0.00 36.82 37.03 1b3u h ILE 204 CO -0.01 0.44 -0.41 0.40 -0.69 0.00 0.00 178.15 177.88 1b3u h ILE 205 N -0.14 0.15 -0.66 -0.67 1.08 -1.62 0.41 117.51 116.07 1b3u h ILE 205 Ca -0.00 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.53 1b3u h ILE 205 Cb 0.82 0.15 -0.04 0.00 -3.07 0.00 0.00 36.82 34.68 1b3u h ILE 205 CO 0.05 0.00 0.43 1.55 -0.69 0.00 0.00 178.15 179.49 1b3u h PRO 206 N -0.47 0.67 -0.35 2.37 0.13 -1.82 0.61 132.00 133.12 1b3u h PRO 206 Ca 0.08 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.13 1b3u h PRO 206 Cb 0.62 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 1b3u h PRO 206 CO -0.41 0.44 0.08 0.52 -0.23 0.00 0.00 178.00 178.41 1b3u h MET 207 N 0.69 0.57 0.01 0.86 2.86 -1.06 -0.69 114.93 118.16 1b3u h MET 207 Ca 0.28 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1b3u h MET 207 Cb 0.23 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1b3u h MET 207 CO -0.09 0.62 -0.01 0.35 1.06 0.00 0.00 176.91 178.85 1b3u h PHE 208 N 0.42 -0.01 -0.43 -0.22 3.57 0.10 -2.03 116.94 118.34 1b3u h PHE 208 Ca 0.11 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1b3u h PHE 208 Cb 0.31 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1b3u h PHE 208 CO 0.02 0.15 0.15 1.03 -2.23 0.00 0.00 178.31 177.42 1b3u h SER 209 N -0.17 0.56 -0.19 0.41 0.87 0.21 -1.58 113.55 113.66 1b3u h SER 209 Ca -0.00 -0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.41 1b3u h SER 209 Cb 0.17 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1b3u h SER 209 CO 0.00 0.53 -0.19 0.78 -0.53 0.00 0.00 176.83 177.43 1b3u h ASN 210 N 0.61 0.49 -0.83 6.23 4.21 -0.99 -3.05 115.58 122.26 1b3u h ASN 210 Ca 0.15 -0.48 -0.04 0.00 1.21 0.00 0.00 56.30 57.14 1b3u h ASN 210 Cb 0.16 -0.14 -0.04 0.00 -1.12 0.00 0.00 38.32 37.19 1b3u h ASN 210 CO -0.01 0.87 0.37 -0.07 -1.29 0.00 0.00 177.43 177.29 1b3u h LEU 211 N 0.12 1.11 -0.13 1.61 3.38 -1.19 -2.02 115.31 118.20 1b3u h LEU 211 Ca 0.03 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1b3u h LEU 211 Cb 0.73 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1b3u h LEU 211 CO 0.05 0.96 0.00 0.00 0.09 0.00 0.00 178.44 179.54 1b3u n ALA 212 N -2.43 1.27 -1.35 1.53 0.00 -0.61 -1.73 120.51 117.20 1b3u n ALA 212 Ca 0.08 -0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.60 1b3u n ALA 212 Cb 0.16 -1.12 0.16 0.00 0.00 0.00 0.00 19.45 18.65 1b3u n ALA 212 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1b3u n SER 213 N -1.58 1.97 -4.75 0.00 3.41 -0.77 -4.87 113.62 107.03 1b3u n SER 213 Ca 0.01 -3.32 -0.37 0.00 -0.26 0.00 0.00 58.87 54.94 1b3u n SER 213 Cb 0.07 -0.45 0.03 0.00 -0.26 0.00 0.00 64.21 63.60 1b3u n SER 213 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1b3u s ASP 214 N -2.91 5.28 0.30 4.04 2.15 -0.71 -4.93 116.67 119.90 1b3u s ASP 214 Ca 0.33 2.47 0.03 0.00 0.43 0.00 0.00 52.55 55.80 1b3u s ASP 214 Cb 0.30 -2.61 0.47 0.00 -0.30 0.00 0.00 42.92 40.79 1b3u s ASP 214 CO -0.01 -1.54 1.78 -0.33 -0.17 0.00 0.00 175.17 174.90 1b3u h GLU 215 N 1.11 0.52 -6.04 4.34 5.08 -1.92 -3.42 114.58 114.25 1b3u h GLU 215 Ca -0.50 -0.16 -0.57 0.00 -1.00 0.00 0.00 59.36 57.13 1b3u h GLU 215 Cb 1.30 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.44 1b3u h GLU 215 CO 0.56 0.65 0.35 -0.65 -1.00 0.00 0.00 179.01 178.92 1b3u s GLN 216 N -4.71 4.36 0.16 2.33 -1.52 -1.26 -4.97 119.66 114.05 1b3u s GLN 216 Ca -0.07 1.07 -0.15 0.00 -1.95 0.00 0.00 55.36 54.25 1b3u s GLN 216 Cb 0.14 -3.54 0.08 0.00 -0.22 0.00 0.00 33.01 29.48 1b3u s GLN 216 CO 0.78 -0.23 1.76 -0.44 -0.25 0.00 0.00 175.29 176.91 1b3u h ASP 217 N 7.15 0.17 0.00 5.90 3.32 -2.00 -2.15 116.42 128.81 1b3u h ASP 217 Ca -0.33 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1b3u h ASP 217 Cb 1.15 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1b3u h ASP 217 CO 0.81 0.14 0.14 0.77 -1.72 0.00 0.00 179.24 179.38 1b3u h SER 218 N 0.32 0.00 0.00 6.45 4.64 -1.96 -0.16 113.55 122.83 1b3u h SER 218 Ca 0.18 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.27 1b3u h SER 218 Cb 0.15 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 1b3u h SER 218 CO -0.17 0.00 -1.34 0.52 -0.87 0.00 0.00 176.83 174.96 1b3u n VAL 219 N -2.56 1.52 -0.27 0.95 0.31 -0.83 -4.11 118.33 113.34 1b3u n VAL 219 Ca -0.02 -0.04 0.09 0.00 -0.01 0.00 0.00 64.34 64.36 1b3u n VAL 219 Cb 0.19 -2.07 0.34 0.00 -0.91 0.00 0.00 33.84 31.39 1b3u n VAL 219 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1b3u h ARG 220 N -1.00 0.75 -0.78 5.55 3.08 -1.12 -1.77 114.38 119.09 1b3u h ARG 220 Ca -0.35 -0.05 0.14 0.00 0.07 0.00 0.00 59.98 59.79 1b3u h ARG 220 Cb 1.25 -0.17 -0.09 0.00 0.08 0.00 0.00 29.97 31.04 1b3u h ARG 220 CO -0.21 0.50 0.36 1.25 -1.07 0.00 0.00 179.97 180.79 1b3u h LEU 221 N 0.77 0.39 -0.49 3.04 6.46 -1.23 -1.36 115.31 122.90 1b3u h LEU 221 Ca 0.42 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 58.28 1b3u h LEU 221 Cb 0.55 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 1b3u h LEU 221 CO -0.18 0.17 0.00 0.18 -0.62 0.00 0.00 178.44 177.99 1b3u n LEU 222 N -4.93 0.53 0.18 2.25 4.77 -0.67 -3.37 117.00 115.76 1b3u n LEU 222 Ca 0.15 0.62 0.02 0.00 -0.03 0.00 0.00 56.01 56.77 1b3u n LEU 222 Cb 0.40 -0.54 0.32 0.00 -2.33 0.00 0.00 43.42 41.27 1b3u n LEU 222 CO 0.20 -0.46 0.67 0.00 -1.33 0.00 0.00 177.39 176.47 1b3u h ALA 223 N 2.35 1.24 -0.41 -1.18 0.00 -1.29 -3.20 119.26 116.78 1b3u h ALA 223 Ca 0.00 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.56 1b3u h ALA 223 Cb 0.37 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1b3u h ALA 223 CO 0.00 0.53 0.18 0.28 0.00 0.00 0.00 179.25 180.24 1b3u h VAL 224 N 0.00 0.94 -0.61 0.00 2.07 -1.71 0.13 116.25 117.07 1b3u h VAL 224 Ca -0.00 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1b3u h VAL 224 Cb 0.78 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1b3u h VAL 224 CO 0.06 0.07 0.19 -0.08 0.02 0.00 0.00 177.57 177.82 1b3u h GLU 225 N 0.37 0.93 0.00 1.57 4.22 -1.79 -0.90 114.58 118.98 1b3u h GLU 225 Ca 0.18 -0.18 -0.05 0.00 0.08 0.00 0.00 59.36 59.39 1b3u h GLU 225 Cb 0.12 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1b3u h GLU 225 CO -0.15 0.80 -0.25 0.00 -2.18 0.00 0.00 179.01 177.23 1b3u h ALA 226 N 1.31 1.20 -0.43 2.92 0.00 -1.33 -2.41 119.26 120.52 1b3u h ALA 226 Ca 0.20 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1b3u h ALA 226 Cb 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1b3u h ALA 226 CO -0.01 0.31 -0.26 0.00 0.00 0.00 0.00 179.25 179.29 1b3u h VAL 228 N 0.76 0.61 0.00 0.00 2.07 -0.92 -1.48 116.25 117.29 1b3u h VAL 228 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1b3u h VAL 228 Cb 0.85 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1b3u h VAL 228 CO 0.07 0.00 -0.02 0.78 0.02 0.00 0.00 177.57 178.43 1b3u h ASN 229 N -0.35 -0.05 -0.90 0.57 -0.26 -1.46 -2.74 115.58 110.40 1b3u h ASN 229 Ca 0.02 0.01 0.05 0.00 -0.56 0.00 0.00 56.30 55.81 1b3u h ASN 229 Cb 0.36 0.02 -0.06 0.00 -1.06 0.00 0.00 38.32 37.58 1b3u h ASN 229 CO -0.08 -0.03 0.57 0.40 -1.06 0.00 0.00 177.43 177.23 1b3u h ILE 230 N -0.03 1.10 -0.19 2.81 2.04 -1.18 -2.14 117.51 119.91 1b3u h ILE 230 Ca 0.01 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 1b3u h ILE 230 Cb 0.04 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.04 1b3u h ILE 230 CO -0.02 0.20 -0.11 0.00 0.00 0.00 0.00 178.15 178.22 1b3u h ALA 231 N 1.39 1.47 0.00 1.87 0.00 -1.10 -1.98 119.26 120.91 1b3u h ALA 231 Ca 0.37 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1b3u h ALA 231 Cb 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1b3u h ALA 231 CO -0.15 0.38 0.00 1.04 0.00 0.00 0.00 179.25 180.52 1b3u n GLN 232 N -4.27 0.14 -0.06 0.00 6.02 -0.81 -2.96 117.38 115.44 1b3u n GLN 232 Ca -0.00 0.40 -0.03 0.00 -0.01 0.00 0.00 57.00 57.35 1b3u n GLN 232 Cb 0.27 -1.77 -0.15 0.00 1.02 0.00 0.00 30.24 29.60 1b3u n GLN 232 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1b3u n LEU 233 N -2.03 0.13 -4.88 1.08 4.77 -0.76 -4.99 117.00 110.32 1b3u n LEU 233 Ca 0.02 0.06 -0.30 0.00 -0.03 0.00 0.00 56.01 55.76 1b3u n LEU 233 Cb 0.19 0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 1b3u n LEU 233 CO 0.17 0.32 0.44 -0.76 -1.33 0.00 0.00 177.39 176.23 1b3u s LEU 234 N -5.28 3.80 0.58 2.23 1.43 -1.14 -5.05 118.68 115.25 1b3u s LEU 234 Ca -0.08 1.11 -0.18 0.00 -1.03 0.00 0.00 54.13 53.94 1b3u s LEU 234 Cb 0.09 -4.00 -0.04 0.00 0.03 0.00 0.00 46.19 42.27 1b3u s LEU 234 CO 0.85 -0.43 1.14 -2.84 0.23 0.00 0.00 176.35 175.30 1b3u s PRO 235 N -3.97 3.12 0.39 1.29 0.02 -1.26 -4.89 135.00 129.70 1b3u s PRO 235 Ca 0.51 1.60 0.15 0.00 0.02 0.00 0.00 61.00 63.28 1b3u s PRO 235 Cb -0.10 -1.97 1.00 0.00 0.02 0.00 0.00 34.50 33.44 1b3u s PRO 235 CO 0.33 -1.03 1.84 0.37 -0.33 0.00 0.00 177.00 178.18 1b3u h GLN 236 N 0.83 0.48 0.00 5.54 5.75 -1.94 -1.41 115.11 124.36 1b3u h GLN 236 Ca -0.49 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 57.94 1b3u h GLN 236 Cb 1.27 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.70 1b3u h GLN 236 CO 0.56 0.32 -0.19 1.05 -2.65 0.00 0.00 178.83 177.91 1b3u h GLU 237 N 0.50 0.00 0.00 1.69 4.11 -1.99 -3.18 114.58 115.71 1b3u h GLU 237 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.91 1b3u h GLU 237 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1b3u h GLU 237 CO -0.21 0.19 -0.84 -0.25 0.07 0.00 0.00 179.01 177.97 1b3u n ASP 238 N -3.65 0.63 -0.25 3.06 8.00 -0.53 -4.42 116.55 119.39 1b3u n ASP 238 Ca -0.01 -0.18 0.02 0.00 0.71 0.00 0.00 54.79 55.33 1b3u n ASP 238 Cb 0.32 0.56 0.15 0.00 -0.02 0.00 0.00 41.12 42.13 1b3u n ASP 238 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1b3u h LEU 239 N 0.00 0.45 -1.36 0.64 3.38 -1.54 -2.08 115.31 114.81 1b3u h LEU 239 Ca 0.00 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1b3u h LEU 239 Cb 0.68 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1b3u h LEU 239 CO 0.00 0.25 0.22 -0.33 0.09 0.00 0.00 178.44 178.67 1b3u h GLU 240 N 0.59 0.65 0.00 1.13 4.39 -1.80 -0.39 114.58 119.17 1b3u h GLU 240 Ca 0.36 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.97 1b3u h GLU 240 Cb 0.41 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1b3u h GLU 240 CO -0.29 0.52 -1.41 0.00 -1.16 0.00 0.00 179.01 176.67 1b3u n ALA 241 N -2.46 2.58 -0.07 3.43 0.00 -1.05 -4.29 120.51 118.64 1b3u n ALA 241 Ca 0.04 -0.37 -0.09 0.00 0.00 0.00 0.00 53.44 53.01 1b3u n ALA 241 Cb 0.13 -0.96 -0.07 0.00 0.00 0.00 0.00 19.45 18.55 1b3u n ALA 241 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1b3u n LEU 242 N -2.54 2.47 -0.09 0.00 4.77 -0.81 -4.87 117.00 115.93 1b3u n LEU 242 Ca -0.02 -0.06 -0.15 0.00 -0.03 0.00 0.00 56.01 55.74 1b3u n LEU 242 Cb 0.58 -0.37 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 1b3u n LEU 242 CO 0.42 0.66 -0.89 0.52 -1.33 0.00 0.00 177.39 176.78 1b3u n VAL 243 N -2.84 1.38 -0.33 4.08 0.31 -0.47 -4.74 118.33 115.72 1b3u n VAL 243 Ca -0.24 -0.04 0.21 0.00 -0.01 0.00 0.00 64.34 64.26 1b3u n VAL 243 Cb 0.79 -2.05 0.39 0.00 -0.91 0.00 0.00 33.84 32.07 1b3u n VAL 243 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1b3u n MET 244 N -4.19 -0.07 -0.16 5.55 2.81 -0.28 -0.85 117.12 119.93 1b3u n MET 244 Ca -0.27 1.43 -0.04 0.00 -1.81 0.00 0.00 57.70 57.02 1b3u n MET 244 Cb 0.60 -2.38 0.05 0.00 -0.71 0.00 0.00 33.22 30.79 1b3u n MET 244 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1b3u h PRO 245 N 0.00 0.40 -0.52 0.03 0.11 -1.84 -0.71 132.00 129.47 1b3u h PRO 245 Ca 0.68 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.65 1b3u h PRO 245 Cb 1.59 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.59 1b3u h PRO 245 CO -0.87 0.26 -0.13 1.15 -0.21 0.00 0.00 178.00 178.20 1b3u h THR 246 N 0.41 1.27 -0.59 -1.15 2.02 -1.29 -2.51 112.91 111.08 1b3u h THR 246 Ca 0.23 -1.29 -0.05 0.00 0.77 0.00 0.00 66.41 66.07 1b3u h THR 246 Cb 0.19 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1b3u h THR 246 CO -0.20 0.45 0.18 0.25 0.37 0.00 0.00 175.52 176.58 1b3u h LEU 247 N 0.88 0.85 -1.13 2.58 5.85 -0.77 -0.78 115.31 122.79 1b3u h LEU 247 Ca 0.13 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 1b3u h LEU 247 Cb 0.70 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1b3u h LEU 247 CO 0.05 0.83 -0.08 0.03 -0.34 0.00 0.00 178.44 178.93 1b3u h ARG 248 N 0.83 0.51 -0.63 1.25 3.08 -1.11 -1.66 114.38 116.65 1b3u h ARG 248 Ca 0.19 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1b3u h ARG 248 Cb 0.28 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1b3u h ARG 248 CO -0.01 0.60 0.25 0.37 -1.07 0.00 0.00 179.97 180.11 1b3u h GLN 249 N 0.48 0.91 -0.35 0.04 4.15 -0.93 -2.54 115.11 116.87 1b3u h GLN 249 Ca 0.09 -0.15 -0.17 0.00 0.77 0.00 0.00 58.65 59.20 1b3u h GLN 249 Cb 0.44 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 1b3u h GLN 249 CO 0.02 0.75 -0.44 0.00 -1.93 0.00 0.00 178.83 177.23 1b3u h ALA 250 N 1.37 0.52 0.00 3.38 0.00 -0.28 -1.84 119.26 122.41 1b3u h ALA 250 Ca 0.21 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1b3u h ALA 250 Cb 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1b3u h ALA 250 CO -0.02 0.67 -0.18 0.00 0.00 0.00 0.00 179.25 179.72 1b3u h ALA 251 N 0.74 1.63 -0.48 0.00 0.00 -1.10 -2.53 119.26 117.51 1b3u h ALA 251 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1b3u h ALA 251 Cb 1.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1b3u h ALA 251 CO 0.10 0.23 0.00 0.39 0.00 0.00 0.00 179.25 179.97 1b3u n GLU 252 N -4.21 2.61 -1.60 0.00 1.02 -0.98 -4.82 120.64 112.66 1b3u n GLU 252 Ca -0.02 -2.27 -0.48 0.00 -0.02 0.00 0.00 57.16 54.37 1b3u n GLU 252 Cb 0.25 -1.42 -0.04 0.00 -0.02 0.00 0.00 31.44 30.21 1b3u n GLU 252 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1b3u n ASP 253 N 1.11 1.73 0.20 1.62 -0.08 -0.70 -4.83 116.55 115.60 1b3u n ASP 253 Ca 0.17 1.14 0.17 0.00 -1.51 0.00 0.00 54.79 54.76 1b3u n ASP 253 Cb 0.52 -1.27 0.82 0.00 2.34 0.00 0.00 41.12 43.53 1b3u n ASP 253 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1b3u h LYS 254 N 3.74 0.00 -5.72 -0.67 2.10 -1.91 -3.40 116.57 110.72 1b3u h LYS 254 Ca -0.44 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 57.62 1b3u h LYS 254 Cb 1.33 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.57 1b3u h LYS 254 CO 0.73 0.00 0.08 0.45 -2.00 0.00 0.00 179.45 178.70 1b3u s SER 255 N -5.85 6.72 0.47 7.07 0.15 -1.26 -4.96 113.70 116.04 1b3u s SER 255 Ca -0.05 0.88 0.26 0.00 0.70 0.00 0.00 55.95 57.74 1b3u s SER 255 Cb 0.15 -2.35 1.05 0.00 -1.71 0.00 0.00 66.02 63.17 1b3u s SER 255 CO 0.56 -0.21 1.88 4.11 1.20 0.00 0.00 173.24 180.77 1b3u h TRP 256 N 7.28 0.00 -0.55 3.44 5.08 -2.00 -2.93 115.95 126.27 1b3u h TRP 256 Ca -0.34 0.00 0.01 0.00 1.08 0.00 0.00 58.89 59.64 1b3u h TRP 256 Cb 1.16 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.29 1b3u h TRP 256 CO 0.69 0.17 0.36 0.00 -1.28 0.00 0.00 178.44 178.38 1b3u h ARG 257 N 0.00 0.69 0.22 0.12 3.08 -1.93 0.19 114.38 116.75 1b3u h ARG 257 Ca -0.00 -0.04 -0.32 0.00 0.07 0.00 0.00 59.98 59.68 1b3u h ARG 257 Cb 0.67 -0.16 0.03 0.00 0.08 0.00 0.00 29.97 30.59 1b3u h ARG 257 CO 0.02 0.46 -1.46 -0.24 -1.07 0.00 0.00 179.97 177.68 1b3u h VAL 258 N 0.71 1.29 -0.03 2.04 3.04 -1.88 -2.96 116.25 118.48 1b3u h VAL 258 Ca 0.20 -2.77 -0.03 0.00 -1.01 0.00 0.00 66.70 63.09 1b3u h VAL 258 Cb -0.04 2.99 -0.01 0.00 -2.01 0.00 0.00 31.29 32.22 1b3u h VAL 258 CO -0.05 0.83 -0.14 0.03 -1.01 0.00 0.00 177.57 177.24 1b3u h ARG 259 N 0.12 0.04 -0.45 4.17 3.08 -1.38 -1.49 114.38 118.47 1b3u h ARG 259 Ca -0.24 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.78 1b3u h ARG 259 Cb 2.12 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 32.14 1b3u h ARG 259 CO 0.25 0.18 0.18 -0.92 -1.07 0.00 0.00 179.97 178.59 1b3u h TYR 260 N 0.04 0.68 -0.33 3.04 5.03 -0.59 -2.43 116.97 122.42 1b3u h TYR 260 Ca 0.01 -0.05 -0.04 0.00 2.58 0.00 0.00 58.73 61.23 1b3u h TYR 260 Cb 0.27 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 38.33 1b3u h TYR 260 CO 0.00 0.58 0.04 0.52 -1.32 0.00 0.00 178.16 177.98 1b3u h MET 261 N 0.59 0.50 -0.18 1.82 2.86 -1.12 0.13 114.93 119.53 1b3u h MET 261 Ca 0.15 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1b3u h MET 261 Cb 0.18 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1b3u h MET 261 CO -0.01 0.49 0.10 0.28 1.06 0.00 0.00 176.91 178.83 1b3u h VAL 262 N 0.48 1.10 0.51 -2.22 2.07 -1.03 -1.35 116.25 115.80 1b3u h VAL 262 Ca 0.11 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1b3u h VAL 262 Cb 0.26 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1b3u h VAL 262 CO 0.00 0.09 -0.24 0.00 0.02 0.00 0.00 177.57 177.44 1b3u h ALA 263 N 1.00 -0.68 -1.11 1.67 0.00 -0.93 -0.48 119.26 118.73 1b3u h ALA 263 Ca 0.06 -0.16 0.31 0.00 0.00 0.00 0.00 54.91 55.12 1b3u h ALA 263 Cb 0.06 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 1b3u h ALA 263 CO -0.01 -0.85 0.76 0.22 0.00 0.00 0.00 179.25 179.37 1b3u h ASP 264 N -0.75 0.18 -0.28 0.00 1.82 -0.64 0.14 116.42 116.89 1b3u h ASP 264 Ca -0.07 0.04 -0.07 0.00 -0.39 0.00 0.00 57.03 56.53 1b3u h ASP 264 Cb 0.55 0.01 -0.04 0.00 0.68 0.00 0.00 39.33 40.53 1b3u h ASP 264 CO 0.11 0.03 -0.02 0.29 -1.61 0.00 0.00 179.24 178.04 1b3u n LYS 265 N -4.38 2.36 -0.15 0.28 4.01 -0.52 -4.74 118.16 115.02 1b3u n LYS 265 Ca 0.25 -2.95 0.04 0.00 -0.51 0.00 0.00 58.31 55.14 1b3u n LYS 265 Cb 1.08 -1.81 0.34 0.00 -0.51 0.00 0.00 35.03 34.13 1b3u n LYS 265 CO 0.00 0.00 0.00 0.35 -1.11 0.00 0.00 177.40 176.64 1b3u h PHE 266 N 1.33 0.76 -0.27 2.13 3.57 0.98 -1.64 116.94 123.80 1b3u h PHE 266 Ca 0.09 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.44 1b3u h PHE 266 Cb 1.50 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.99 1b3u h PHE 266 CO 0.67 0.44 -0.52 1.15 -2.23 0.00 0.00 178.31 177.81 1b3u h THR 267 N 0.78 1.29 -0.52 4.41 2.02 -1.85 -0.87 112.91 118.17 1b3u h THR 267 Ca 0.26 -1.72 -0.10 0.00 0.77 0.00 0.00 66.41 65.61 1b3u h THR 267 Cb 0.07 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 1b3u h THR 267 CO -0.07 0.56 -0.09 -0.33 0.37 0.00 0.00 175.52 175.95 1b3u h GLU 268 N 0.60 0.95 -0.59 6.66 3.07 -1.82 -2.04 114.58 121.42 1b3u h GLU 268 Ca 0.02 -0.33 -0.11 0.00 -0.50 0.00 0.00 59.36 58.44 1b3u h GLU 268 Cb 1.11 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.92 1b3u h GLU 268 CO 0.11 1.00 -0.05 -0.07 -1.40 0.00 0.00 179.01 178.60 1b3u h LEU 269 N 0.86 1.06 -0.27 1.33 3.38 -1.22 -1.82 115.31 118.62 1b3u h LEU 269 Ca 0.14 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.81 1b3u h LEU 269 Cb 0.63 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1b3u h LEU 269 CO 0.04 1.13 0.13 -0.61 0.09 0.00 0.00 178.44 179.22 1b3u h GLN 270 N 0.96 0.26 -0.35 1.13 4.15 -0.79 0.28 115.11 120.75 1b3u h GLN 270 Ca 0.16 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.49 1b3u h GLN 270 Cb 0.62 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 1b3u h GLN 270 CO 0.04 0.17 -0.08 0.87 -1.93 0.00 0.00 178.83 177.90 1b3u h LYS 271 N 0.27 0.67 -0.20 1.69 1.57 -1.32 -2.61 116.57 116.64 1b3u h LYS 271 Ca 0.11 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1b3u h LYS 271 Cb 0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1b3u h LYS 271 CO -0.09 0.84 0.00 0.00 -0.57 0.00 0.00 179.45 179.63 1b3u h ALA 272 N 0.82 0.27 0.00 3.86 0.00 -1.07 -3.18 119.26 119.95 1b3u h ALA 272 Ca 0.09 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1b3u h ALA 272 Cb 0.59 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1b3u h ALA 272 CO 0.03 -0.02 -0.37 -0.24 0.00 0.00 0.00 179.25 178.66 1b3u h VAL 273 N 0.11 1.05 0.00 0.00 3.04 -0.51 -3.41 116.25 116.52 1b3u h VAL 273 Ca 0.06 -1.38 0.00 0.00 -1.01 0.00 0.00 66.70 64.37 1b3u h VAL 273 Cb 0.39 1.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 1b3u h VAL 273 CO 0.01 0.36 0.00 0.61 -1.01 0.00 0.00 177.57 177.54 1b3u n GLY 274 N -0.14 1.73 0.23 3.17 0.00 -0.98 -4.58 105.19 104.62 1b3u n GLY 274 Ca -0.01 -1.67 -0.01 0.00 0.00 0.00 0.00 46.02 44.32 1b3u n GLY 274 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b3u h PRO 275 N 0.00 -0.00 -0.20 1.61 0.13 -1.88 -2.18 132.00 129.48 1b3u h PRO 275 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1b3u h PRO 275 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1b3u h PRO 275 CO 0.00 -0.00 0.09 1.49 -0.23 0.00 0.00 178.00 179.34 1b3u h GLU 276 N -0.00 0.19 -0.35 0.86 4.81 -1.97 -2.50 114.58 115.62 1b3u h GLU 276 Ca 0.29 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.41 1b3u h GLU 276 Cb 0.44 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1b3u h GLU 276 CO -0.62 0.12 -0.20 0.82 -0.73 0.00 0.00 179.01 178.41 1b3u h ILE 277 N 0.19 1.26 -0.83 2.32 2.04 -1.75 -2.66 117.51 118.09 1b3u h ILE 277 Ca 0.08 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 1b3u h ILE 277 Cb 0.03 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1b3u h ILE 277 CO -0.07 0.41 0.48 0.71 0.00 0.00 0.00 178.15 179.68 1b3u h THR 278 N 0.58 1.24 -0.89 -0.27 1.35 -1.26 0.12 112.91 113.79 1b3u h THR 278 Ca 0.09 -0.56 0.05 0.00 -0.55 0.00 0.00 66.41 65.44 1b3u h THR 278 Cb 0.66 0.10 -0.05 0.00 -1.73 0.00 0.00 68.15 67.13 1b3u h THR 278 CO 0.05 0.26 0.58 0.50 -0.25 0.00 0.00 175.52 176.66 1b3u h LYS 279 N 1.15 1.04 0.09 4.72 3.64 -1.11 0.52 116.57 126.61 1b3u h LYS 279 Ca 0.29 -0.06 -0.22 0.00 -1.27 0.00 0.00 60.65 59.39 1b3u h LYS 279 Cb -0.01 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.58 1b3u h LYS 279 CO -0.05 0.69 -1.13 1.15 -2.27 0.00 0.00 179.45 177.84 1b3u h THR 280 N 1.07 1.18 0.00 1.00 2.02 -1.11 -3.40 112.91 113.66 1b3u h THR 280 Ca 0.37 -2.38 -0.27 0.00 0.77 0.00 0.00 66.41 64.90 1b3u h THR 280 Cb 0.09 2.79 -0.05 0.00 -1.74 0.00 0.00 68.15 69.25 1b3u h THR 280 CO -0.12 0.64 -1.98 0.47 0.37 0.00 0.00 175.52 174.89 1b3u n ASP 281 N -4.11 2.27 0.02 4.18 8.00 0.36 -4.61 116.55 122.66 1b3u n ASP 281 Ca -0.23 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.24 1b3u n ASP 281 Cb 0.80 -0.35 0.19 0.00 -0.02 0.00 0.00 41.12 41.75 1b3u n ASP 281 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1b3u h LEU 282 N -0.19 0.48 0.66 0.64 3.38 -1.30 -2.33 115.31 116.65 1b3u h LEU 282 Ca -0.40 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.37 1b3u h LEU 282 Cb 1.53 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1b3u h LEU 282 CO -0.12 0.75 -0.49 0.58 0.09 0.00 0.00 178.44 179.24 1b3u h VAL 283 N 0.42 0.00 -0.29 1.22 2.07 -1.16 0.23 116.25 118.74 1b3u h VAL 283 Ca 0.06 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.53 1b3u h VAL 283 Cb 0.70 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1b3u h VAL 283 CO 0.05 0.00 -0.04 1.55 0.02 0.00 0.00 177.57 179.15 1b3u h PRO 284 N -1.11 0.45 -0.46 1.57 0.13 -1.81 -2.71 132.00 128.07 1b3u h PRO 284 Ca -0.09 -0.10 -0.01 0.00 -0.87 0.00 0.00 66.00 64.93 1b3u h PRO 284 Cb 0.92 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.96 1b3u h PRO 284 CO 0.03 0.52 0.23 0.00 -0.23 0.00 0.00 178.00 178.55 1b3u h ALA 285 N 1.53 0.59 -0.96 -0.56 0.00 -1.14 -2.41 119.26 116.30 1b3u h ALA 285 Ca 0.09 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1b3u h ALA 285 Cb 0.36 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1b3u h ALA 285 CO 0.01 0.13 0.63 0.35 0.00 0.00 0.00 179.25 180.38 1b3u h PHE 286 N 0.59 1.20 -0.45 0.00 3.57 -0.25 -1.90 116.94 119.71 1b3u h PHE 286 Ca 0.16 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1b3u h PHE 286 Cb 0.10 -0.40 -0.02 0.00 2.79 0.00 0.00 35.95 38.41 1b3u h PHE 286 CO -0.01 0.74 0.26 1.96 -2.23 0.00 0.00 178.31 179.02 1b3u h GLN 287 N 1.28 0.62 -1.01 1.11 4.20 -1.23 -1.27 115.11 118.81 1b3u h GLN 287 Ca 0.36 -0.06 0.05 0.00 0.06 0.00 0.00 58.65 59.06 1b3u h GLN 287 Cb -0.12 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 27.48 1b3u h GLN 287 CO -0.09 0.47 0.66 -0.91 -0.67 0.00 0.00 178.83 178.29 1b3u h ASN 288 N 0.59 1.07 -0.60 1.46 2.35 -0.95 -1.68 115.58 117.82 1b3u h ASN 288 Ca 0.16 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.83 1b3u h ASN 288 Cb 0.03 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1b3u h ASN 288 CO -0.03 0.70 0.07 -0.07 -1.65 0.00 0.00 177.43 176.45 1b3u h LEU 289 N 1.22 0.98 -1.34 1.61 3.38 -0.77 -1.19 115.31 119.20 1b3u h LEU 289 Ca 0.42 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1b3u h LEU 289 Cb 0.10 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1b3u h LEU 289 CO -0.15 1.01 0.00 0.24 0.09 0.00 0.00 178.44 179.62 1b3u h MET 290 N 0.91 0.00 -0.28 1.13 2.86 -0.35 -1.61 114.93 117.59 1b3u h MET 290 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1b3u h MET 290 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1b3u h MET 290 CO 0.02 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.62 1b3u n LYS 291 N -2.45 2.85 -1.50 1.72 5.02 -0.70 -4.84 118.16 118.26 1b3u n LYS 291 Ca 0.00 -2.22 -0.37 0.00 -2.02 0.00 0.00 58.31 53.70 1b3u n LYS 291 Cb 0.15 -1.40 0.06 0.00 -0.02 0.00 0.00 35.03 33.82 1b3u n LYS 291 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1b3u n ASP 292 N 0.07 0.35 0.15 4.39 -0.08 -0.54 -4.89 116.55 116.01 1b3u n ASP 292 Ca 0.13 0.73 0.13 0.00 -1.51 0.00 0.00 54.79 54.27 1b3u n ASP 292 Cb 0.54 -1.36 0.45 0.00 2.34 0.00 0.00 41.12 43.09 1b3u n ASP 292 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1b3u s GLU 294 N -3.27 3.76 0.33 0.00 0.41 -1.26 -4.99 118.70 113.67 1b3u s GLU 294 Ca 0.07 -0.43 0.09 0.00 -0.41 0.00 0.00 54.97 54.28 1b3u s GLU 294 Cb 0.10 -3.48 0.82 0.00 -1.78 0.00 0.00 34.13 29.79 1b3u s GLU 294 CO 0.52 -0.20 1.78 0.00 -0.49 0.00 0.00 175.26 176.87 1b3u h ALA 295 N 8.30 1.79 -0.72 5.21 0.00 -2.00 -0.37 119.26 131.48 1b3u h ALA 295 Ca -0.37 0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.67 1b3u h ALA 295 Cb 1.18 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1b3u h ALA 295 CO 0.57 -0.17 0.47 0.93 0.00 0.00 0.00 179.25 181.06 1b3u h GLU 296 N 0.68 0.77 -0.03 0.00 3.07 -1.96 0.43 114.58 117.54 1b3u h GLU 296 Ca 0.57 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.37 1b3u h GLU 296 Cb 1.01 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 1b3u h GLU 296 CO -0.36 0.51 -0.05 0.28 -1.40 0.00 0.00 179.01 177.99 1b3u h VAL 297 N 0.80 1.44 -0.70 3.13 2.07 -1.44 -2.41 116.25 119.13 1b3u h VAL 297 Ca 0.30 -1.37 0.08 0.00 0.82 0.00 0.00 66.70 66.53 1b3u h VAL 297 Cb 0.18 2.29 -0.07 0.00 -1.52 0.00 0.00 31.29 32.18 1b3u h VAL 297 CO -0.10 0.37 0.36 0.03 0.02 0.00 0.00 177.57 178.26 1b3u h ARG 298 N -0.45 0.62 -0.56 1.57 3.08 -0.92 -0.51 114.38 117.20 1b3u h ARG 298 Ca 0.00 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.03 1b3u h ARG 298 Cb 0.63 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 1b3u h ARG 298 CO 0.01 0.41 0.35 0.00 -1.07 0.00 0.00 179.97 179.67 1b3u h ALA 299 N 1.40 0.72 -0.69 0.04 0.00 -0.17 -0.14 119.26 120.43 1b3u h ALA 299 Ca 0.33 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 1b3u h ALA 299 Cb 0.31 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1b3u h ALA 299 CO -0.24 0.10 0.25 0.00 0.00 0.00 0.00 179.25 179.36 1b3u h ALA 300 N 1.23 0.89 -0.20 0.00 0.00 -0.75 -2.43 119.26 118.01 1b3u h ALA 300 Ca 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1b3u h ALA 300 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1b3u h ALA 300 CO -0.08 0.54 0.05 0.00 0.00 0.00 0.00 179.25 179.76 1b3u h ALA 301 N 1.11 0.26 -0.73 0.00 0.00 -0.77 -3.04 119.26 116.09 1b3u h ALA 301 Ca 0.23 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 55.13 1b3u h ALA 301 Cb 0.25 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.86 1b3u h ALA 301 CO -0.01 -0.09 0.22 0.77 0.00 0.00 0.00 179.25 180.13 1b3u h SER 302 N 0.13 0.10 0.24 0.00 0.02 -0.81 0.19 113.55 113.43 1b3u h SER 302 Ca 0.06 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1b3u h SER 302 Cb 0.28 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1b3u h SER 302 CO 0.00 0.01 0.00 1.57 -1.14 0.00 0.00 176.83 177.27 1b3u n HIS 303 N -5.10 0.28 0.77 3.45 -0.00 -0.94 -2.27 115.22 111.41 1b3u n HIS 303 Ca 0.14 0.13 0.08 0.00 -0.00 0.00 0.00 57.72 58.07 1b3u n HIS 303 Cb 0.44 -0.71 -0.05 0.00 -0.00 0.00 0.00 29.99 29.67 1b3u n HIS 303 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1b3u n LYS 304 N -1.78 1.58 -0.36 1.57 4.76 0.65 -4.71 118.16 119.88 1b3u n LYS 304 Ca 0.01 -0.42 -0.08 0.00 -2.87 0.00 0.00 58.31 54.95 1b3u n LYS 304 Cb 0.09 -1.29 -0.05 0.00 -1.84 0.00 0.00 35.03 31.93 1b3u n LYS 304 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1b3u h VAL 305 N 0.94 0.01 0.50 -0.18 2.07 -1.30 0.55 116.25 118.85 1b3u h VAL 305 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1b3u h VAL 305 Cb 0.49 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1b3u h VAL 305 CO 0.00 0.00 -0.24 0.50 0.02 0.00 0.00 177.57 177.85 1b3u h LYS 306 N -0.06 -0.65 -0.29 1.57 3.64 -1.84 -2.05 116.57 116.88 1b3u h LYS 306 Ca 0.21 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.67 1b3u h LYS 306 Cb 0.50 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.40 1b3u h LYS 306 CO -0.89 -0.43 -0.49 0.93 -2.27 0.00 0.00 179.45 176.29 1b3u h GLU 307 N -0.68 -0.39 -0.52 1.90 4.39 -1.68 0.39 114.58 117.99 1b3u h GLU 307 Ca -0.07 0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.76 1b3u h GLU 307 Cb 0.52 0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 29.17 1b3u h GLU 307 CO 0.11 -0.26 -0.02 0.35 -1.16 0.00 0.00 179.01 178.03 1b3u h PHE 308 N -0.40 -0.07 -0.04 4.33 3.57 -0.91 -2.48 116.94 120.94 1b3u h PHE 308 Ca 0.05 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1b3u h PHE 308 Cb 0.55 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 1b3u h PHE 308 CO -0.67 -0.14 0.01 0.00 -2.23 0.00 0.00 178.31 175.28 1b3u n GLU 310 N -4.94 0.00 -0.06 0.00 1.02 0.13 -1.73 120.64 115.06 1b3u n GLU 310 Ca -0.07 0.41 0.03 0.00 -0.02 0.00 0.00 57.16 57.50 1b3u n GLU 310 Cb 0.14 -1.56 0.06 0.00 -0.02 0.00 0.00 31.44 30.06 1b3u n GLU 310 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1b3u n ASN 311 N -1.40 2.10 -4.84 1.62 3.02 -1.02 -5.02 115.26 109.72 1b3u n ASN 311 Ca 0.00 -1.70 -0.31 0.00 -0.03 0.00 0.00 54.58 52.53 1b3u n ASN 311 Cb 0.06 -0.07 0.02 0.00 -0.61 0.00 0.00 39.78 39.18 1b3u n ASN 311 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1b3u s LEU 312 N -0.80 3.23 0.25 3.41 1.43 -0.70 -5.02 118.68 120.47 1b3u s LEU 312 Ca 0.10 1.54 -0.26 0.00 -1.03 0.00 0.00 54.13 54.49 1b3u s LEU 312 Cb 0.06 -4.49 -0.09 0.00 0.03 0.00 0.00 46.19 41.70 1b3u s LEU 312 CO 0.08 -1.12 0.86 -0.94 0.23 0.00 0.00 176.35 175.46 1b3u s SER 313 N -3.85 7.37 0.64 2.29 1.04 -1.26 -4.74 113.70 115.19 1b3u s SER 313 Ca 0.57 1.74 0.22 0.00 0.48 0.00 0.00 55.95 58.96 1b3u s SER 313 Cb -0.13 -2.54 1.12 0.00 0.10 0.00 0.00 66.02 64.58 1b3u s SER 313 CO 0.52 0.07 1.62 0.00 0.98 0.00 0.00 173.24 176.43 1b3u h ALA 314 N 3.73 1.88 -0.87 5.32 0.00 -1.96 0.58 119.26 127.93 1b3u h ALA 314 Ca -0.47 -0.01 0.25 0.00 0.00 0.00 0.00 54.91 54.69 1b3u h ALA 314 Cb 1.20 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1b3u h ALA 314 CO 0.66 -0.75 0.63 0.22 0.00 0.00 0.00 179.25 180.00 1b3u h ASP 315 N 0.00 0.03 0.00 0.00 3.58 -2.03 -3.19 116.42 114.81 1b3u h ASP 315 Ca 0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1b3u h ASP 315 Cb 1.38 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.43 1b3u h ASP 315 CO -0.00 0.01 0.00 0.00 -2.88 0.00 0.00 179.24 176.37 1b3u h ARG 317 N 0.00 -0.00 -0.03 0.00 2.43 0.02 -0.42 114.38 116.38 1b3u h ARG 317 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1b3u h ARG 317 Cb 0.61 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1b3u h ARG 317 CO 0.00 -0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.85 1b3u n GLU 318 N -3.87 1.14 0.00 0.20 1.02 -1.26 -3.58 120.64 114.28 1b3u n GLU 318 Ca 0.01 -0.20 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1b3u n GLU 318 Cb 0.10 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1b3u n GLU 318 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1b3u n ASN 319 N -0.57 0.00 0.11 1.62 3.02 -0.21 -3.93 115.26 115.30 1b3u n ASN 319 Ca 0.14 0.05 0.19 0.00 -0.03 0.00 0.00 54.58 54.93 1b3u n ASN 319 Cb 0.11 -0.35 0.76 0.00 -0.61 0.00 0.00 39.78 39.69 1b3u n ASN 319 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1b3u h VAL 320 N 0.00 0.47 -0.25 2.41 -1.51 -1.63 0.19 116.25 115.92 1b3u h VAL 320 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.43 1b3u h VAL 320 Cb 0.00 0.72 -0.01 0.00 -2.13 0.00 0.00 31.29 29.87 1b3u h VAL 320 CO 0.00 0.00 -0.00 -0.29 -1.23 0.00 0.00 177.57 176.05 1b3u h ILE 321 N 0.00 1.26 0.00 7.19 2.10 -1.73 0.15 117.51 126.48 1b3u h ILE 321 Ca 0.17 -0.92 -0.16 0.00 1.08 0.00 0.00 64.86 65.04 1b3u h ILE 321 Cb 0.88 1.37 -0.02 0.00 -1.09 0.00 0.00 36.82 37.96 1b3u h ILE 321 CO -0.00 0.29 -0.75 0.24 -1.08 0.00 0.00 178.15 176.85 1b3u h MET 322 N 0.21 0.00 0.00 2.19 2.86 -1.08 -1.61 114.93 117.50 1b3u h MET 322 Ca 0.07 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.63 1b3u h MET 322 Cb 0.42 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1b3u h MET 322 CO 0.01 0.75 -0.42 1.03 1.06 0.00 0.00 176.91 179.34 1b3u h SER 323 N 0.00 0.00 0.00 1.22 0.87 -0.65 -3.41 113.55 111.58 1b3u h SER 323 Ca -0.01 -0.80 -0.19 0.00 -1.23 0.00 0.00 61.79 59.57 1b3u h SER 323 Cb 1.46 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.39 1b3u h SER 323 CO 0.10 1.14 -1.70 0.00 -0.53 0.00 0.00 176.83 175.84 1b3u n GLN 324 N -4.56 1.46 0.07 2.24 6.02 0.51 -4.59 117.38 118.54 1b3u n GLN 324 Ca -0.17 0.03 -0.08 0.00 -0.01 0.00 0.00 57.00 56.77 1b3u n GLN 324 Cb 0.53 -1.26 -0.05 0.00 1.02 0.00 0.00 30.24 30.48 1b3u n GLN 324 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1b3u h ILE 325 N 0.00 0.48 -0.88 5.09 2.04 -1.48 -3.08 117.51 119.69 1b3u h ILE 325 Ca -0.28 -1.00 0.19 0.00 1.00 0.00 0.00 64.86 64.77 1b3u h ILE 325 Cb 1.54 0.84 -0.17 0.00 -0.74 0.00 0.00 36.82 38.29 1b3u h ILE 325 CO -0.01 0.13 -0.16 0.25 0.00 0.00 0.00 178.15 178.37 1b3u h LEU 326 N -0.98 -0.71 -1.35 1.44 5.85 -1.53 0.81 115.31 118.83 1b3u h LEU 326 Ca -0.03 0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 1b3u h LEU 326 Cb 0.43 0.51 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1b3u h LEU 326 CO 0.05 -0.29 -0.05 1.55 -0.34 0.00 0.00 178.44 179.36 1b3u h PRO 327 N 0.01 0.37 -0.15 5.25 0.13 -1.81 -0.22 132.00 135.59 1b3u h PRO 327 Ca 0.45 -0.08 -0.04 0.00 -0.87 0.00 0.00 66.00 65.46 1b3u h PRO 327 Cb 0.74 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 1b3u h PRO 327 CO -0.88 0.44 -0.07 0.00 -0.23 0.00 0.00 178.00 177.25 1b3u h ILE 329 N -0.01 0.48 -0.87 0.00 1.08 0.04 -2.20 117.51 116.03 1b3u h ILE 329 Ca 0.03 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.68 1b3u h ILE 329 Cb 0.54 0.48 -0.16 0.00 -3.07 0.00 0.00 36.82 34.61 1b3u h ILE 329 CO 0.02 0.00 -0.23 0.50 -0.69 0.00 0.00 178.15 177.76 1b3u h LYS 330 N -0.29 -0.00 -0.49 2.37 3.64 -1.00 0.45 116.57 121.25 1b3u h LYS 330 Ca 0.09 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1b3u h LYS 330 Cb 0.42 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1b3u h LYS 330 CO -0.26 -0.00 0.16 0.93 -2.27 0.00 0.00 179.45 178.01 1b3u h GLU 331 N -0.00 0.76 -0.96 1.90 5.08 -1.36 -2.74 114.58 117.25 1b3u h GLU 331 Ca 0.41 -0.16 0.09 0.00 -1.00 0.00 0.00 59.36 58.70 1b3u h GLU 331 Cb 0.64 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.70 1b3u h GLU 331 CO -0.90 0.71 0.62 -0.07 -1.00 0.00 0.00 179.01 178.37 1b3u h LEU 332 N 0.66 0.93 -1.85 1.33 3.38 0.39 -0.47 115.31 119.67 1b3u h LEU 332 Ca 0.16 0.02 0.23 0.00 0.09 0.00 0.00 57.88 58.38 1b3u h LEU 332 Cb 0.26 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1b3u h LEU 332 CO -0.01 0.56 0.60 1.62 0.09 0.00 0.00 178.44 181.30 1b3u h VAL 333 N 1.03 0.61 -0.41 1.22 3.04 -0.61 0.16 116.25 121.30 1b3u h VAL 333 Ca 0.44 -0.04 -0.13 0.00 -1.01 0.00 0.00 66.70 65.95 1b3u h VAL 333 Cb 0.32 0.48 -0.08 0.00 -2.01 0.00 0.00 31.29 30.00 1b3u h VAL 333 CO -0.19 0.02 0.05 -1.54 -1.01 0.00 0.00 177.57 174.90 1b3u n SER 334 N -4.36 3.44 -4.70 3.17 3.41 -0.21 -4.88 113.62 109.49 1b3u n SER 334 Ca 0.18 -3.38 -0.38 0.00 -0.26 0.00 0.00 58.87 55.02 1b3u n SER 334 Cb 0.84 -0.63 0.06 0.00 -0.26 0.00 0.00 64.21 64.22 1b3u n SER 334 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1b3u n ASP 335 N -0.75 1.89 0.06 4.04 -0.08 0.56 -4.92 116.55 117.35 1b3u n ASP 335 Ca 0.31 0.87 -0.04 0.00 -1.51 0.00 0.00 54.79 54.43 1b3u n ASP 335 Cb 1.07 -1.51 0.19 0.00 2.34 0.00 0.00 41.12 43.20 1b3u n ASP 335 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1b3u h ALA 336 N 0.82 1.03 -2.48 -1.67 0.00 -1.92 -3.44 119.26 111.60 1b3u h ALA 336 Ca -0.50 -0.42 -0.51 0.00 0.00 0.00 0.00 54.91 53.48 1b3u h ALA 336 Cb 1.34 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1b3u h ALA 336 CO 0.54 0.61 0.11 1.21 0.00 0.00 0.00 179.25 181.72 1b3u s ASN 337 N -6.87 7.01 0.09 0.00 2.47 -1.26 -4.99 114.94 111.39 1b3u s ASN 337 Ca -0.05 1.40 0.01 0.00 0.42 0.00 0.00 52.86 54.64 1b3u s ASN 337 Cb 0.13 -2.42 -0.25 0.00 -1.45 0.00 0.00 41.25 37.26 1b3u s ASN 337 CO 0.79 -0.02 1.19 -0.61 -3.72 0.00 0.00 177.10 174.72 1b3u h GLN 338 N 3.15 0.15 -0.19 0.43 4.15 -2.01 -3.17 115.11 117.63 1b3u h GLN 338 Ca -0.48 -0.25 -0.05 0.00 0.77 0.00 0.00 58.65 58.64 1b3u h GLN 338 Cb 1.19 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.96 1b3u h GLN 338 CO 0.65 1.11 -0.10 0.45 -1.93 0.00 0.00 178.83 179.01 1b3u h HIS 339 N 0.04 0.30 0.16 3.99 3.86 -1.97 -1.96 115.15 119.57 1b3u h HIS 339 Ca -0.08 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.09 1b3u h HIS 339 Cb 1.88 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 30.27 1b3u h HIS 339 CO 0.03 0.40 -0.08 0.28 0.86 0.00 0.00 177.93 179.43 1b3u h VAL 340 N 0.28 0.93 -0.98 2.45 2.07 -1.88 -2.06 116.25 117.06 1b3u h VAL 340 Ca 0.06 -1.05 0.15 0.00 0.82 0.00 0.00 66.70 66.69 1b3u h VAL 340 Cb 0.36 1.50 -0.09 0.00 -1.52 0.00 0.00 31.29 31.54 1b3u h VAL 340 CO 0.02 0.22 0.62 0.11 0.02 0.00 0.00 177.57 178.55 1b3u h LYS 341 N -0.78 0.81 0.42 1.57 1.57 -1.50 -0.96 116.57 117.70 1b3u h LYS 341 Ca -0.02 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1b3u h LYS 341 Cb 0.52 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1b3u h LYS 341 CO 0.04 0.53 -0.20 0.77 -0.57 0.00 0.00 179.45 180.02 1b3u h SER 342 N 0.83 -0.48 -0.96 0.86 0.02 -1.36 -1.83 113.55 110.64 1b3u h SER 342 Ca 0.52 -0.09 0.16 0.00 -0.84 0.00 0.00 61.79 61.55 1b3u h SER 342 Cb 0.72 0.12 -0.09 0.00 0.14 0.00 0.00 62.40 63.29 1b3u h SER 342 CO -0.29 -0.18 0.61 0.00 -1.14 0.00 0.00 176.83 175.82 1b3u h ALA 343 N -0.32 1.76 0.70 3.77 0.00 -0.73 -2.51 119.26 121.93 1b3u h ALA 343 Ca -0.06 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1b3u h ALA 343 Cb 0.54 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1b3u h ALA 343 CO 0.10 -0.06 -0.34 1.25 0.00 0.00 0.00 179.25 180.20 1b3u h LEU 344 N 0.75 -0.79 -1.33 0.00 5.85 -1.07 -3.23 115.31 115.49 1b3u h LEU 344 Ca 0.51 0.01 0.36 0.00 0.84 0.00 0.00 57.88 59.60 1b3u h LEU 344 Cb 0.80 0.21 -0.12 0.00 0.37 0.00 0.00 40.66 41.92 1b3u h LEU 344 CO -0.28 -0.42 0.74 0.00 -0.34 0.00 0.00 178.44 178.13 1b3u h ALA 345 N -1.15 2.43 0.00 1.25 0.00 -0.92 0.42 119.26 121.29 1b3u h ALA 345 Ca -0.10 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1b3u h ALA 345 Cb 0.73 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1b3u h ALA 345 CO 0.16 -0.97 0.00 0.77 0.00 0.00 0.00 179.25 179.20 1b3u h SER 346 N 0.23 0.00 0.00 0.00 0.02 -1.48 -3.32 113.55 109.00 1b3u h SER 346 Ca 0.72 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.67 1b3u h SER 346 Cb 2.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.58 1b3u h SER 346 CO -0.41 0.00 -0.42 1.33 -1.14 0.00 0.00 176.83 176.19 1b3u n VAL 347 N -2.31 0.00 -0.34 2.27 0.24 0.82 -4.90 118.33 114.11 1b3u n VAL 347 Ca 0.01 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.35 1b3u n VAL 347 Cb 0.16 -0.23 0.11 0.00 -1.47 0.00 0.00 33.84 32.41 1b3u n VAL 347 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b3u n ILE 348 N -0.98 -0.42 0.39 1.34 3.06 0.11 0.95 119.36 123.81 1b3u n ILE 348 Ca 0.00 2.17 0.10 0.00 -2.50 0.00 0.00 62.75 62.53 1b3u n ILE 348 Cb 0.15 -2.98 0.44 0.00 0.54 0.00 0.00 39.64 37.79 1b3u n ILE 348 CO 0.00 0.00 0.00 0.23 -2.50 0.00 0.00 176.55 174.28 1b3u n MET 349 N -5.51 0.14 0.00 9.51 2.81 -1.26 -2.63 117.12 120.19 1b3u n MET 349 Ca 0.14 0.40 0.07 0.00 -1.81 0.00 0.00 57.70 56.50 1b3u n MET 349 Cb 0.45 -1.78 0.35 0.00 -0.71 0.00 0.00 33.22 31.52 1b3u n MET 349 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1b3u n GLY 350 N -0.14 -0.75 0.51 3.03 0.00 0.27 -1.94 105.19 106.16 1b3u n GLY 350 Ca 0.02 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1b3u n GLY 350 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b3u n LEU 351 N -1.29 1.55 0.33 0.99 4.77 -1.08 -4.43 117.00 117.84 1b3u n LEU 351 Ca 0.06 -0.57 -0.17 0.00 -0.03 0.00 0.00 56.01 55.30 1b3u n LEU 351 Cb 0.11 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.07 1b3u n LEU 351 CO 0.11 0.29 0.66 -1.28 -1.33 0.00 0.00 177.39 175.83 1b3u h SER 352 N 2.29 -0.68 -0.55 -1.43 0.87 -1.63 -2.76 113.55 109.65 1b3u h SER 352 Ca 0.00 0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.62 1b3u h SER 352 Cb 0.49 0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.58 1b3u h SER 352 CO 0.00 -0.47 0.30 1.55 -0.53 0.00 0.00 176.83 177.68 1b3u h PRO 353 N -0.82 0.56 -0.50 2.24 0.13 -1.84 -0.18 132.00 131.58 1b3u h PRO 353 Ca -0.08 -0.03 0.15 0.00 -0.87 0.00 0.00 66.00 65.16 1b3u h PRO 353 Cb 0.62 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.61 1b3u h PRO 353 CO 0.13 0.37 0.40 0.82 -0.23 0.00 0.00 178.00 179.50 1b3u h ILE 354 N 0.57 0.61 0.00 -3.56 2.04 -1.82 -2.39 117.51 112.97 1b3u h ILE 354 Ca 0.24 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.91 1b3u h ILE 354 Cb 0.12 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 1b3u h ILE 354 CO -0.15 0.00 -2.03 0.18 0.00 0.00 0.00 178.15 176.15 1b3u n LEU 355 N -4.16 0.19 0.00 1.44 4.77 -0.55 -4.86 117.00 113.82 1b3u n LEU 355 Ca 0.09 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1b3u n LEU 355 Cb 0.62 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 1b3u n LEU 355 CO 0.34 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1b3u n GLY 356 N 1.50 -0.04 0.24 -0.72 0.00 -0.19 -4.28 105.19 101.69 1b3u n GLY 356 Ca -0.17 -1.65 -0.01 0.00 0.00 0.00 0.00 46.02 44.18 1b3u n GLY 356 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1b3u h LYS 357 N 0.00 -0.00 -0.23 1.61 3.64 -1.82 -1.74 116.57 118.02 1b3u h LYS 357 Ca 0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1b3u h LYS 357 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1b3u h LYS 357 CO 0.00 -0.00 -0.32 -0.44 -2.27 0.00 0.00 179.45 176.42 1b3u h ASP 358 N -0.00 0.50 -0.11 4.20 3.32 -1.95 -2.37 116.42 120.01 1b3u h ASP 358 Ca 0.30 -0.19 -0.21 0.00 0.02 0.00 0.00 57.03 56.96 1b3u h ASP 358 Cb 0.46 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.88 1b3u h ASP 358 CO -0.64 0.79 -0.74 0.78 -1.72 0.00 0.00 179.24 177.71 1b3u h ASN 359 N 0.42 0.83 0.14 6.45 2.35 -1.66 -2.94 115.58 121.16 1b3u h ASN 359 Ca 0.05 -0.66 0.01 0.00 -0.55 0.00 0.00 56.30 55.15 1b3u h ASN 359 Cb 0.76 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 1b3u h ASN 359 CO 0.06 1.36 -0.21 0.74 -1.65 0.00 0.00 177.43 177.73 1b3u h THR 360 N 0.36 0.54 -0.66 2.81 2.02 -1.28 0.24 112.91 116.95 1b3u h THR 360 Ca -0.06 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.18 1b3u h THR 360 Cb 1.38 0.54 -0.06 0.00 -1.74 0.00 0.00 68.15 68.27 1b3u h THR 360 CO 0.15 0.00 0.36 -0.29 0.37 0.00 0.00 175.52 176.11 1b3u h ILE 361 N -0.41 0.96 0.00 3.11 2.10 -1.50 0.03 117.51 121.80 1b3u h ILE 361 Ca 0.02 -0.23 -0.07 0.00 1.08 0.00 0.00 64.86 65.66 1b3u h ILE 361 Cb 0.41 0.23 -0.01 0.00 -1.09 0.00 0.00 36.82 36.37 1b3u h ILE 361 CO -0.10 0.12 -0.34 -0.08 -1.08 0.00 0.00 178.15 176.67 1b3u h GLU 362 N 0.66 0.00 0.00 2.19 4.81 -1.30 -3.38 114.58 117.56 1b3u h GLU 362 Ca 0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1b3u h GLU 362 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1b3u h GLU 362 CO -0.19 0.30 -0.92 0.72 -0.73 0.00 0.00 179.01 178.20 1b3u n HIS 363 N -3.16 0.00 -0.06 0.92 8.25 0.82 -4.81 115.22 117.18 1b3u n HIS 363 Ca 0.02 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.33 1b3u n HIS 363 Cb 0.66 0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.74 1b3u n HIS 363 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1b3u h LEU 364 N 0.00 0.87 -0.66 2.41 3.38 -1.12 -3.31 115.31 116.88 1b3u h LEU 364 Ca 0.00 -0.57 0.14 0.00 0.09 0.00 0.00 57.88 57.54 1b3u h LEU 364 Cb 0.92 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 41.32 1b3u h LEU 364 CO 0.00 1.28 0.10 0.25 0.09 0.00 0.00 178.44 180.16 1b3u h LEU 365 N 0.50 -0.09 -0.80 1.67 5.85 -1.45 0.71 115.31 121.70 1b3u h LEU 365 Ca -0.01 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1b3u h LEU 365 Cb 1.17 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.37 1b3u h LEU 365 CO 0.12 -0.05 0.51 -0.65 -0.34 0.00 0.00 178.44 178.02 1b3u h PRO 366 N 0.21 1.07 -0.19 5.25 0.11 -1.81 -0.10 132.00 136.53 1b3u h PRO 366 Ca 0.35 -0.08 -0.17 0.00 0.11 0.00 0.00 66.00 66.22 1b3u h PRO 366 Cb 0.58 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 1b3u h PRO 366 CO -0.49 0.73 -0.57 -0.07 -0.21 0.00 0.00 178.00 177.39 1b3u h LEU 367 N 1.09 0.67 -0.48 2.35 3.38 -1.34 -2.13 115.31 118.85 1b3u h LEU 367 Ca 0.29 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.93 1b3u h LEU 367 Cb -0.08 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 1b3u h LEU 367 CO -0.06 1.10 0.24 0.15 0.09 0.00 0.00 178.44 179.96 1b3u h PHE 368 N 0.46 0.44 -0.37 1.13 3.57 0.11 -2.29 116.94 119.98 1b3u h PHE 368 Ca 0.00 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.43 1b3u h PHE 368 Cb 1.13 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 1b3u h PHE 368 CO 0.05 0.22 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.14 1b3u h LEU 369 N 0.47 0.76 -0.93 0.59 3.38 -0.93 -2.28 115.31 116.37 1b3u h LEU 369 Ca 0.21 -0.39 0.18 0.00 0.09 0.00 0.00 57.88 57.97 1b3u h LEU 369 Cb 0.12 -0.21 -0.10 0.00 0.09 0.00 0.00 40.66 40.55 1b3u h LEU 369 CO -0.15 0.98 0.52 0.00 0.09 0.00 0.00 178.44 179.88 1b3u h ALA 370 N 0.81 1.49 0.00 1.53 0.00 -0.99 0.69 119.26 122.79 1b3u h ALA 370 Ca 0.09 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1b3u h ALA 370 Cb 0.67 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1b3u h ALA 370 CO 0.05 -0.09 -0.53 1.96 0.00 0.00 0.00 179.25 180.64 1b3u h GLN 371 N 0.68 0.00 -0.23 0.00 4.20 -1.32 -3.30 115.11 115.14 1b3u h GLN 371 Ca 0.53 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 59.11 1b3u h GLN 371 Cb 0.81 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.59 1b3u h GLN 371 CO -0.39 0.48 -0.38 1.25 -0.67 0.00 0.00 178.83 179.12 1b3u h LEU 372 N 0.00 0.74 -4.07 1.46 5.85 -0.34 -3.10 115.31 115.85 1b3u h LEU 372 Ca -0.01 -0.52 -0.37 0.00 0.84 0.00 0.00 57.88 57.82 1b3u h LEU 372 Cb 1.38 -0.21 -0.14 0.00 0.37 0.00 0.00 40.66 42.07 1b3u h LEU 372 CO 0.06 1.12 0.23 0.29 -0.34 0.00 0.00 178.44 179.81 1b3u n LYS 373 N -4.23 2.09 -4.56 1.25 5.02 -0.23 -4.83 118.16 112.68 1b3u n LYS 373 Ca -0.05 -1.76 -0.34 0.00 -2.02 0.00 0.00 58.31 54.14 1b3u n LYS 373 Cb 0.53 -1.91 -0.12 0.00 -0.02 0.00 0.00 35.03 33.51 1b3u n LYS 373 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1b3u s ASP 374 N 0.70 4.65 -1.38 4.39 2.15 -1.17 -4.99 116.67 121.03 1b3u s ASP 374 Ca 0.50 -0.08 -0.16 0.00 0.43 0.00 0.00 52.55 53.24 1b3u s ASP 374 Cb 0.31 -1.43 0.06 0.00 -0.30 0.00 0.00 42.92 41.56 1b3u s ASP 374 CO -0.11 0.28 1.98 1.21 -0.17 0.00 0.00 175.17 178.35 1b3u n GLU 375 N 2.79 3.05 -3.15 4.34 2.13 -1.26 -4.69 120.64 123.85 1b3u n GLU 375 Ca -0.18 -2.97 0.05 0.00 0.66 0.00 0.00 57.16 54.73 1b3u n GLU 375 Cb 0.53 -3.37 -0.01 0.00 0.27 0.00 0.00 31.44 28.86 1b3u n GLU 375 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1b3u h PRO 377 N 7.74 -0.02 -0.21 0.00 0.11 -1.99 -1.88 132.00 135.73 1b3u h PRO 377 Ca -0.12 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.04 1b3u h PRO 377 Cb 1.17 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.22 1b3u h PRO 377 CO -0.05 -0.02 -0.47 1.49 -0.21 0.00 0.00 178.00 178.74 1b3u h GLU 378 N -0.02 -0.46 0.72 1.05 4.81 -1.97 0.26 114.58 118.96 1b3u h GLU 378 Ca 0.31 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 1b3u h GLU 378 Cb 0.57 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1b3u h GLU 378 CO -0.95 -0.30 -0.39 0.28 -0.73 0.00 0.00 179.01 176.92 1b3u h VAL 379 N -0.47 0.21 -0.56 0.32 2.07 -1.78 0.65 116.25 116.67 1b3u h VAL 379 Ca 0.08 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.71 1b3u h VAL 379 Cb 0.63 0.21 -0.11 0.00 -1.52 0.00 0.00 31.29 30.50 1b3u h VAL 379 CO -0.46 0.00 -0.20 -0.09 0.02 0.00 0.00 177.57 176.83 1b3u h ARG 380 N -1.02 -0.06 -0.58 1.57 2.43 -1.18 -1.05 114.38 114.48 1b3u h ARG 380 Ca -0.09 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 1b3u h ARG 380 Cb 0.81 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 1b3u h ARG 380 CO 0.13 -0.04 0.16 1.25 -1.51 0.00 0.00 179.97 179.96 1b3u h LEU 381 N -0.07 0.85 -0.80 3.80 5.85 -0.36 -2.00 115.31 122.59 1b3u h LEU 381 Ca 0.26 -0.22 0.10 0.00 0.84 0.00 0.00 57.88 58.86 1b3u h LEU 381 Cb 0.47 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 1b3u h LEU 381 CO -0.61 0.85 0.44 0.78 -0.34 0.00 0.00 178.44 179.55 1b3u h ASN 382 N 0.82 0.61 0.42 1.25 2.35 0.37 0.30 115.58 121.70 1b3u h ASN 382 Ca 0.18 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 1b3u h ASN 382 Cb 0.31 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1b3u h ASN 382 CO -0.00 0.34 -0.20 0.40 -1.65 0.00 0.00 177.43 176.32 1b3u h ILE 383 N 0.73 0.49 -0.95 2.81 1.08 -1.16 -2.61 117.51 117.89 1b3u h ILE 383 Ca 0.39 -0.50 0.22 0.00 -0.39 0.00 0.00 64.86 64.58 1b3u h ILE 383 Cb 0.38 0.69 -0.07 0.00 -3.07 0.00 0.00 36.82 34.75 1b3u h ILE 383 CO -0.26 0.08 0.62 0.40 -0.69 0.00 0.00 178.15 178.30 1b3u h ILE 384 N -0.89 0.64 0.00 -0.67 1.08 -0.97 0.19 117.51 116.89 1b3u h ILE 384 Ca -0.06 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 1b3u h ILE 384 Cb 0.56 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 34.50 1b3u h ILE 384 CO 0.09 0.08 0.00 0.28 -0.69 0.00 0.00 178.15 177.91 1b3u h SER 385 N 0.41 0.00 -2.82 1.72 0.02 -0.31 -3.37 113.55 109.20 1b3u h SER 385 Ca 0.51 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.83 1b3u h SER 385 Cb 1.27 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.40 1b3u h SER 385 CO -0.21 0.00 -0.47 0.59 -1.14 0.00 0.00 176.83 175.60 1b3u n ASN 386 N -2.79 3.54 -0.00 3.07 3.02 0.68 -4.77 115.26 118.01 1b3u n ASN 386 Ca 0.03 -3.29 0.01 0.00 -0.03 0.00 0.00 54.58 51.30 1b3u n ASN 386 Cb 0.39 -0.78 -0.01 0.00 -0.61 0.00 0.00 39.78 38.77 1b3u n ASN 386 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1b3u n LEU 387 N 1.61 0.09 -0.26 3.41 4.77 -1.26 -4.75 117.00 120.62 1b3u n LEU 387 Ca 0.24 -0.40 0.05 0.00 -0.03 0.00 0.00 56.01 55.87 1b3u n LEU 387 Cb 0.37 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.64 1b3u n LEU 387 CO 0.34 0.02 1.02 0.44 -1.33 0.00 0.00 177.39 177.88 1b3u h ASP 388 N 0.00 0.28 0.00 -1.43 3.32 -1.93 -1.91 116.42 114.75 1b3u h ASP 388 Ca 0.00 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1b3u h ASP 388 Cb 0.07 0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1b3u h ASP 388 CO 0.00 0.11 0.00 0.00 -1.72 0.00 0.00 179.24 177.63 1b3u h VAL 390 N 0.00 0.10 -0.87 0.00 2.07 -1.76 0.12 116.25 115.91 1b3u h VAL 390 Ca 0.00 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1b3u h VAL 390 Cb 0.00 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 29.80 1b3u h VAL 390 CO 0.00 0.01 0.51 -1.13 0.02 0.00 0.00 177.57 176.98 1b3u h ASN 391 N 0.03 1.05 0.60 0.57 -0.73 -1.28 -1.81 115.58 114.02 1b3u h ASN 391 Ca 0.85 -0.08 -0.28 0.00 1.87 0.00 0.00 56.30 58.66 1b3u h ASN 391 Cb 3.14 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 41.46 1b3u h ASN 391 CO -0.17 0.82 -1.30 -0.33 -0.37 0.00 0.00 177.43 176.08 1b3u h GLU 392 N 1.20 0.25 0.64 6.67 5.08 -0.73 -3.37 114.58 124.32 1b3u h GLU 392 Ca 0.31 -0.43 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1b3u h GLU 392 Cb -0.03 0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.39 1b3u h GLU 392 CO -0.06 1.18 -0.31 0.28 -1.00 0.00 0.00 179.01 179.10 1b3u h VAL 393 N 0.07 0.00 -2.83 3.13 2.07 -1.41 -3.44 116.25 113.84 1b3u h VAL 393 Ca -0.16 -0.09 -0.47 0.00 0.82 0.00 0.00 66.70 66.80 1b3u h VAL 393 Cb 1.98 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1b3u h VAL 393 CO 0.19 0.00 -0.16 0.27 0.02 0.00 0.00 177.57 177.90 1b3u s ILE 394 N -4.68 4.87 0.47 4.57 -4.36 -0.69 -4.59 121.20 116.80 1b3u s ILE 394 Ca -0.13 -0.43 -0.22 0.00 -0.26 0.00 0.00 60.65 59.61 1b3u s ILE 394 Cb 0.01 -3.79 -0.07 0.00 1.25 0.00 0.00 42.46 39.86 1b3u s ILE 394 CO 0.38 -0.53 1.11 -0.83 0.24 0.00 0.00 174.94 175.31 1b3u s GLY 395 N -4.08 2.68 0.56 6.27 0.00 -1.26 -4.57 107.32 106.93 1b3u s GLY 395 Ca 0.42 0.80 0.28 0.00 0.00 0.00 0.00 44.72 46.22 1b3u s GLY 395 CO 0.37 1.20 1.96 1.19 0.00 0.00 0.00 173.10 177.82 1b3u h ILE 396 N 1.70 0.55 -0.09 0.90 6.09 -1.94 0.28 117.51 125.00 1b3u h ILE 396 Ca -0.49 0.00 -0.18 0.00 -1.37 0.00 0.00 64.86 62.82 1b3u h ILE 396 Cb 1.24 0.68 -0.00 0.00 0.47 0.00 0.00 36.82 39.21 1b3u h ILE 396 CO 0.60 0.00 -0.70 0.08 -3.07 0.00 0.00 178.15 175.05 1b3u h ARG 397 N 0.00 0.44 -0.03 2.19 0.11 -1.96 -2.64 114.38 112.49 1b3u h ARG 397 Ca 0.24 -0.34 -0.15 0.00 0.10 0.00 0.00 59.98 59.84 1b3u h ARG 397 Cb 1.10 0.07 -0.02 0.00 1.11 0.00 0.00 29.97 32.24 1b3u h ARG 397 CO -0.00 0.97 -0.65 1.96 0.10 0.00 0.00 179.97 182.35 1b3u h GLN 398 N 0.30 0.12 0.26 0.08 1.08 -0.83 -3.12 115.11 113.01 1b3u h GLN 398 Ca -0.03 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 1b3u h GLN 398 Cb 1.27 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1b3u h GLN 398 CO 0.12 0.72 -0.13 1.25 -0.95 0.00 0.00 178.83 179.85 1b3u h LEU 399 N 0.09 -0.30 -1.14 1.46 5.85 -1.30 -3.26 115.31 116.71 1b3u h LEU 399 Ca -0.01 -0.22 0.21 0.00 0.84 0.00 0.00 57.88 58.70 1b3u h LEU 399 Cb 1.16 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 42.16 1b3u h LEU 399 CO 0.09 0.19 0.62 0.28 -0.34 0.00 0.00 178.44 179.27 1b3u h SER 400 N -0.93 0.67 -0.95 1.25 0.02 -1.57 0.54 113.55 112.59 1b3u h SER 400 Ca -0.04 0.09 0.24 0.00 -0.84 0.00 0.00 61.79 61.25 1b3u h SER 400 Cb 0.50 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.94 1b3u h SER 400 CO 0.06 0.22 0.64 1.56 -1.14 0.00 0.00 176.83 178.18 1b3u h GLN 401 N 0.65 0.24 0.00 3.45 4.20 -1.58 -0.85 115.11 121.22 1b3u h GLN 401 Ca 0.57 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 59.16 1b3u h GLN 401 Cb 1.04 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 1b3u h GLN 401 CO -0.34 0.16 -1.67 -1.13 -0.67 0.00 0.00 178.83 175.17 1b3u n SER 402 N -4.44 2.19 0.05 1.46 3.41 -0.24 -4.61 113.62 111.44 1b3u n SER 402 Ca 0.21 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.79 1b3u n SER 402 Cb 0.86 1.16 -0.01 0.00 -0.26 0.00 0.00 64.21 65.96 1b3u n SER 402 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1b3u h LEU 403 N 0.00 -0.17 -0.94 1.04 5.85 -0.59 -3.34 115.31 117.16 1b3u h LEU 403 Ca -0.16 0.01 0.23 0.00 0.84 0.00 0.00 57.88 58.80 1b3u h LEU 403 Cb 1.14 0.04 -0.18 0.00 0.37 0.00 0.00 40.66 42.04 1b3u h LEU 403 CO 0.01 0.20 -0.09 -0.11 -0.34 0.00 0.00 178.44 178.11 1b3u n LEU 404 N -4.30 -0.21 0.11 2.25 7.94 -0.36 -0.90 117.00 121.53 1b3u n LEU 404 Ca -0.02 1.61 -0.13 0.00 -1.11 0.00 0.00 56.01 56.36 1b3u n LEU 404 Cb 0.08 -0.54 -0.06 0.00 0.53 0.00 0.00 43.42 43.43 1b3u n LEU 404 CO 0.06 -1.59 0.70 -0.65 -1.11 0.00 0.00 177.39 174.79 1b3u h PRO 405 N 0.00 -0.44 -0.80 1.96 0.11 -1.75 0.55 132.00 131.64 1b3u h PRO 405 Ca 0.52 0.03 0.06 0.00 0.11 0.00 0.00 66.00 66.72 1b3u h PRO 405 Cb 0.96 0.10 -0.06 0.00 0.11 0.00 0.00 31.00 32.12 1b3u h PRO 405 CO -0.92 -0.29 0.48 0.00 -0.21 0.00 0.00 178.00 177.06 1b3u h ALA 406 N 0.29 1.09 0.75 -0.75 0.00 -1.13 -0.02 119.26 119.48 1b3u h ALA 406 Ca 0.03 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1b3u h ALA 406 Cb 0.48 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1b3u h ALA 406 CO -0.14 0.22 -0.36 0.82 0.00 0.00 0.00 179.25 179.78 1b3u h ILE 407 N 0.89 0.00 -0.90 0.00 2.04 -0.63 -2.33 117.51 116.58 1b3u h ILE 407 Ca 0.35 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.42 1b3u h ILE 407 Cb 0.16 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.07 1b3u h ILE 407 CO -0.17 0.00 -0.12 0.52 0.00 0.00 0.00 178.15 178.38 1b3u n VAL 408 N -4.72 -0.38 -0.07 1.67 0.31 0.19 0.38 118.33 115.71 1b3u n VAL 408 Ca -0.13 2.03 -0.07 0.00 -0.01 0.00 0.00 64.34 66.17 1b3u n VAL 408 Cb 0.40 -2.88 -0.01 0.00 -0.91 0.00 0.00 33.84 30.44 1b3u n VAL 408 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1b3u h GLU 409 N 0.00 0.01 0.00 5.55 5.08 -0.71 -2.03 114.58 122.48 1b3u h GLU 409 Ca 0.48 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.76 1b3u h GLU 409 Cb 0.86 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1b3u h GLU 409 CO -0.90 0.00 -0.39 -0.07 -1.00 0.00 0.00 179.01 176.66 1b3u h LEU 410 N 0.01 0.00 -2.18 1.33 3.38 0.47 -2.93 115.31 115.39 1b3u h LEU 410 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1b3u h LEU 410 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1b3u h LEU 410 CO -0.28 0.39 -0.04 0.00 0.09 0.00 0.00 178.44 178.61 1b3u h ALA 411 N 1.61 1.63 -1.21 1.53 0.00 -0.10 -2.71 119.26 120.01 1b3u h ALA 411 Ca -0.00 -0.03 -0.60 0.00 0.00 0.00 0.00 54.91 54.27 1b3u h ALA 411 Cb 0.82 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.21 1b3u h ALA 411 CO 0.05 0.05 -0.46 -0.85 0.00 0.00 0.00 179.25 178.04 1b3u n GLU 412 N -4.05 3.36 -3.16 0.00 0.28 -1.10 -4.84 120.64 111.12 1b3u n GLU 412 Ca -0.03 -4.23 -0.39 0.00 -0.16 0.00 0.00 57.16 52.35 1b3u n GLU 412 Cb 0.12 -2.26 -0.05 0.00 1.43 0.00 0.00 31.44 30.68 1b3u n GLU 412 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1b3u s ASP 413 N -3.18 7.01 0.55 -1.84 2.15 -1.02 -4.95 116.67 115.38 1b3u s ASP 413 Ca 0.50 1.20 0.26 0.00 0.43 0.00 0.00 52.55 54.94 1b3u s ASP 413 Cb 0.41 -2.38 1.40 0.00 -0.30 0.00 0.00 42.92 42.05 1b3u s ASP 413 CO -0.14 0.07 1.76 0.00 -0.17 0.00 0.00 175.17 176.69 1b3u h ALA 414 N 5.74 1.25 -2.36 3.66 0.00 -1.94 -3.39 119.26 122.22 1b3u h ALA 414 Ca -0.45 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 53.79 1b3u h ALA 414 Cb 1.20 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.82 1b3u h ALA 414 CO 0.70 -0.25 -0.10 0.15 0.00 0.00 0.00 179.25 179.75 1b3u s LYS 415 N -3.85 3.27 0.49 0.00 1.02 -1.26 -4.94 119.74 114.47 1b3u s LYS 415 Ca -0.03 -0.53 0.21 0.00 0.02 0.00 0.00 55.97 55.64 1b3u s LYS 415 Cb 0.07 -3.92 1.25 0.00 -0.52 0.00 0.00 37.83 34.71 1b3u s LYS 415 CO 0.23 -0.83 1.96 0.11 -0.92 0.00 0.00 175.35 175.90 1b3u h TRP 416 N 8.70 0.21 -0.84 3.18 5.08 -2.00 0.16 115.95 130.44 1b3u h TRP 416 Ca -0.27 0.01 0.03 0.00 1.08 0.00 0.00 58.89 59.74 1b3u h TRP 416 Cb 1.11 -0.07 -0.05 0.00 -3.00 0.00 0.00 29.16 27.16 1b3u h TRP 416 CO 0.67 0.08 0.55 -0.09 -1.28 0.00 0.00 178.44 178.37 1b3u h ARG 417 N 0.18 1.03 0.09 0.12 2.43 -1.93 0.15 114.38 116.45 1b3u h ARG 417 Ca 0.31 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1b3u h ARG 417 Cb 0.98 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1b3u h ARG 417 CO -0.05 0.68 -0.05 0.28 -1.51 0.00 0.00 179.97 179.32 1b3u h VAL 418 N 1.06 1.09 -0.90 0.20 2.07 -1.06 -2.94 116.25 115.76 1b3u h VAL 418 Ca 0.33 -1.35 0.16 0.00 0.82 0.00 0.00 66.70 66.66 1b3u h VAL 418 Cb -0.00 1.86 -0.07 0.00 -1.52 0.00 0.00 31.29 31.55 1b3u h VAL 418 CO -0.09 0.30 0.58 0.03 0.02 0.00 0.00 177.57 178.41 1b3u h ARG 419 N -0.82 0.63 -0.27 1.57 3.08 -1.26 0.53 114.38 117.84 1b3u h ARG 419 Ca -0.01 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1b3u h ARG 419 Cb 0.58 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1b3u h ARG 419 CO 0.02 0.41 -0.00 1.25 -1.07 0.00 0.00 179.97 180.58 1b3u h LEU 420 N 0.64 0.37 -0.06 3.04 5.85 -0.98 -2.79 115.31 121.38 1b3u h LEU 420 Ca 0.46 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 59.12 1b3u h LEU 420 Cb 0.82 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1b3u h LEU 420 CO -0.22 0.44 0.01 0.00 -0.34 0.00 0.00 178.44 178.33 1b3u h ALA 421 N 1.62 0.08 -0.08 1.25 0.00 0.23 -3.09 119.26 119.26 1b3u h ALA 421 Ca 0.09 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1b3u h ALA 421 Cb 0.27 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1b3u h ALA 421 CO 0.01 -0.27 -0.29 0.82 0.00 0.00 0.00 179.25 179.52 1b3u h ILE 422 N -0.16 0.35 -1.05 0.00 1.08 -1.17 -0.72 117.51 115.84 1b3u h ILE 422 Ca 0.02 0.00 0.27 0.00 -0.39 0.00 0.00 64.86 64.76 1b3u h ILE 422 Cb 0.30 0.35 -0.09 0.00 -3.07 0.00 0.00 36.82 34.31 1b3u h ILE 422 CO 0.00 0.00 0.69 0.40 -0.69 0.00 0.00 178.15 178.55 1b3u h ILE 423 N -0.39 0.51 0.00 -0.67 2.04 -1.55 0.48 117.51 117.93 1b3u h ILE 423 Ca 0.08 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1b3u h ILE 423 Cb 0.51 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1b3u h ILE 423 CO -0.30 0.06 -0.07 -0.33 0.00 0.00 0.00 178.15 177.52 1b3u h GLU 424 N 0.35 0.00 0.00 2.37 4.39 -1.04 -2.40 114.58 118.25 1b3u h GLU 424 Ca 0.59 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 60.13 1b3u h GLU 424 Cb 1.59 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.21 1b3u h GLU 424 CO -0.27 0.07 -0.76 1.88 -1.16 0.00 0.00 179.01 178.77 1b3u h TYR 425 N 0.00 0.00 -0.89 4.33 0.05 0.04 -3.36 116.97 117.14 1b3u h TYR 425 Ca -0.00 0.00 0.15 0.00 0.05 0.00 0.00 58.73 58.93 1b3u h TYR 425 Cb 0.13 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 37.72 1b3u h TYR 425 CO 0.00 0.76 -0.34 0.52 -1.05 0.00 0.00 178.16 178.05 1b3u h MET 426 N 0.00 -0.04 -0.43 4.88 2.86 -1.30 0.98 114.93 121.88 1b3u h MET 426 Ca -0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1b3u h MET 426 Cb 1.58 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.23 1b3u h MET 426 CO 0.10 -0.02 0.21 -1.00 1.06 0.00 0.00 176.91 177.25 1b3u h PRO 427 N -0.04 0.59 0.17 -0.22 0.13 -1.74 0.26 132.00 131.16 1b3u h PRO 427 Ca 0.34 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.40 1b3u h PRO 427 Cb 0.60 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1b3u h PRO 427 CO -0.91 0.46 -0.08 -0.07 -0.23 0.00 0.00 178.00 177.17 1b3u h LEU 428 N 0.60 -0.20 -1.55 1.56 3.38 -0.00 0.54 115.31 119.64 1b3u h LEU 428 Ca 0.15 -0.31 0.11 0.00 0.09 0.00 0.00 57.88 57.92 1b3u h LEU 428 Cb 0.06 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1b3u h LEU 428 CO -0.02 0.25 0.46 -0.07 0.09 0.00 0.00 178.44 179.15 1b3u h LEU 429 N -0.70 0.45 0.06 1.67 3.38 0.93 0.17 115.31 121.26 1b3u h LEU 429 Ca -0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1b3u h LEU 429 Cb 0.50 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1b3u h LEU 429 CO 0.04 0.26 -0.03 0.00 0.09 0.00 0.00 178.44 178.80 1b3u h ALA 430 N 1.66 -0.08 -0.46 1.53 0.00 -0.37 0.41 119.26 121.95 1b3u h ALA 430 Ca 0.32 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1b3u h ALA 430 Cb 0.58 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1b3u h ALA 430 CO -0.10 -0.26 0.30 0.78 0.00 0.00 0.00 179.25 179.97 1b3u h GLY 431 N -0.65 0.62 0.00 0.00 0.00 -0.19 0.10 103.07 102.95 1b3u h GLY 431 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1b3u h GLY 431 CO 0.01 0.21 -0.17 1.46 0.00 0.00 0.00 176.54 178.06 1b3u h GLN 432 N 0.58 0.00 0.09 4.80 4.20 -0.69 -3.42 115.11 120.68 1b3u h GLN 432 Ca 0.17 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.62 1b3u h GLN 432 Cb -0.01 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.78 1b3u h GLN 432 CO -0.04 0.00 -1.16 -0.07 -0.67 0.00 0.00 178.83 176.89 1b3u h LEU 433 N -0.98 0.57 0.00 1.46 3.38 -0.23 -3.48 115.31 116.04 1b3u h LEU 433 Ca 0.00 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1b3u h LEU 433 Cb 0.17 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1b3u h LEU 433 CO 0.00 1.38 0.00 0.61 0.09 0.00 0.00 178.44 180.52 1b3u n GLY 434 N 1.31 -0.36 0.30 0.83 0.00 0.02 -4.60 105.19 102.69 1b3u n GLY 434 Ca -0.09 -1.84 0.06 0.00 0.00 0.00 0.00 46.02 44.15 1b3u n GLY 434 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1b3u h VAL 435 N 0.00 0.72 0.00 1.61 3.04 -1.95 -1.55 116.25 118.12 1b3u h VAL 435 Ca 0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 1b3u h VAL 435 Cb 0.00 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 29.37 1b3u h VAL 435 CO 0.00 0.11 0.00 -0.62 -1.01 0.00 0.00 177.57 176.05 1b3u n GLU 436 N -4.90 0.03 0.08 4.17 4.71 -1.26 -1.51 120.64 121.96 1b3u n GLU 436 Ca 0.16 0.28 0.06 0.00 -0.01 0.00 0.00 57.16 57.65 1b3u n GLU 436 Cb 0.42 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.33 1b3u n GLU 436 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1b3u h PHE 437 N 0.00 0.00 -2.63 -0.32 3.57 -1.53 -3.43 116.94 112.60 1b3u h PHE 437 Ca 0.00 0.00 -0.72 0.00 3.53 0.00 0.00 57.97 60.78 1b3u h PHE 437 Cb 0.02 0.00 -0.19 0.00 2.79 0.00 0.00 35.95 38.57 1b3u h PHE 437 CO 0.00 0.28 0.81 -0.06 -2.23 0.00 0.00 178.31 177.12 1b3u s PHE 438 N -3.14 3.36 0.47 0.41 0.40 -0.57 -4.91 117.98 114.00 1b3u s PHE 438 Ca -0.01 -1.71 0.03 0.00 -0.60 0.00 0.00 56.93 54.65 1b3u s PHE 438 Cb 0.09 -4.20 0.09 0.00 0.51 0.00 0.00 43.02 39.51 1b3u s PHE 438 CO 0.79 -1.37 0.64 -0.40 0.70 0.00 0.00 175.22 175.59 1b3u n ASP 439 N 5.77 1.23 0.00 1.36 5.75 -1.26 -4.79 116.55 124.61 1b3u n ASP 439 Ca 0.25 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 1b3u n ASP 439 Cb 0.47 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 1b3u n ASP 439 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1b3u n GLU 440 N -2.11 0.00 -0.34 0.11 1.02 -1.26 -0.32 120.64 117.74 1b3u n GLU 440 Ca 0.12 0.81 0.13 0.00 -0.02 0.00 0.00 57.16 58.20 1b3u n GLU 440 Cb 0.42 -1.39 0.26 0.00 -0.02 0.00 0.00 31.44 30.71 1b3u n GLU 440 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1b3u n LYS 441 N -2.42 -0.08 -0.13 3.49 0.00 -1.26 0.28 118.16 118.04 1b3u n LYS 441 Ca 0.00 1.45 -0.12 0.00 0.00 0.00 0.00 58.31 59.64 1b3u n LYS 441 Cb 0.00 -2.29 -0.02 0.00 0.00 0.00 0.00 35.03 32.72 1b3u n LYS 441 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1b3u h LEU 442 N 0.00 0.87 -0.54 3.14 5.85 -1.72 -2.63 115.31 120.29 1b3u h LEU 442 Ca 0.57 -0.42 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 1b3u h LEU 442 Cb 1.13 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1b3u h LEU 442 CO -0.92 1.11 0.12 0.78 -0.34 0.00 0.00 178.44 179.19 1b3u h ASN 443 N 0.64 0.82 -0.28 1.25 2.35 0.29 -2.53 115.58 118.12 1b3u h ASN 443 Ca 0.08 -0.24 0.04 0.00 -0.55 0.00 0.00 56.30 55.63 1b3u h ASN 443 Cb 0.80 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.92 1b3u h ASN 443 CO 0.07 0.85 0.03 0.77 -1.65 0.00 0.00 177.43 177.50 1b3u h SER 444 N 0.76 -0.04 -0.06 5.81 4.64 -0.59 -1.93 113.55 122.15 1b3u h SER 444 Ca 0.17 0.05 0.04 0.00 -0.47 0.00 0.00 61.79 61.58 1b3u h SER 444 Cb 0.36 0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 62.47 1b3u h SER 444 CO 0.00 0.02 -0.36 -0.07 -0.87 0.00 0.00 176.83 175.55 1b3u h LEU 445 N 0.13 -1.11 -0.07 5.97 3.38 -1.27 0.17 115.31 122.51 1b3u h LEU 445 Ca 0.13 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.28 1b3u h LEU 445 Cb 0.15 0.45 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 1b3u h LEU 445 CO -0.19 -0.40 -0.52 0.00 0.09 0.00 0.00 178.44 177.41 1b3u h MET 447 N -0.61 0.72 -0.79 0.00 2.86 -1.14 -1.90 114.93 114.06 1b3u h MET 447 Ca 0.02 -0.04 0.14 0.00 -2.06 0.00 0.00 59.70 57.76 1b3u h MET 447 Cb 0.68 -0.16 -0.09 0.00 0.06 0.00 0.00 31.60 32.09 1b3u h MET 447 CO -0.39 0.48 0.37 0.00 1.06 0.00 0.00 176.91 178.42 1b3u h ALA 448 N 1.53 1.16 0.00 6.32 0.00 0.93 -0.76 119.26 128.44 1b3u h ALA 448 Ca 0.46 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1b3u h ALA 448 Cb 0.56 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1b3u h ALA 448 CO -0.31 -0.15 0.00 0.91 0.00 0.00 0.00 179.25 179.70 1b3u n TRP 449 N -4.94 0.17 0.29 0.00 8.01 -0.71 -2.43 117.44 117.82 1b3u n TRP 449 Ca 0.15 0.09 0.18 0.00 -1.31 0.00 0.00 57.50 56.61 1b3u n TRP 449 Cb 0.42 -0.64 0.73 0.00 -2.01 0.00 0.00 31.31 29.80 1b3u n TRP 449 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.69 176.61 1b3u h LEU 450 N 0.00 0.00 -3.71 -0.99 3.38 -1.23 -3.17 115.31 109.59 1b3u h LEU 450 Ca 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.58 1b3u h LEU 450 Cb 0.01 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 40.43 1b3u h LEU 450 CO 0.00 0.00 -0.78 1.33 0.09 0.00 0.00 178.44 179.08 1b3u n VAL 451 N -3.07 2.27 -2.64 1.22 0.24 -1.02 -4.81 118.33 110.52 1b3u n VAL 451 Ca 0.00 -3.78 -0.39 0.00 -2.04 0.00 0.00 64.34 58.13 1b3u n VAL 451 Cb 0.28 -0.65 -0.05 0.00 -1.47 0.00 0.00 33.84 31.95 1b3u n VAL 451 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1b3u s ASP 452 N -3.49 7.39 0.26 -1.34 -1.08 -1.20 -4.92 116.67 112.30 1b3u s ASP 452 Ca 0.45 2.05 0.17 0.00 -0.52 0.00 0.00 52.55 54.70 1b3u s ASP 452 Cb 0.39 -2.61 0.91 0.00 -1.46 0.00 0.00 42.92 40.15 1b3u s ASP 452 CO 0.00 -0.04 1.50 0.00 0.52 0.00 0.00 175.17 177.15 1b3u n HIS 453 N 1.10 0.57 -3.51 -5.34 1.44 -1.26 -4.45 115.22 103.76 1b3u n HIS 453 Ca -0.00 0.30 -0.42 0.00 -2.01 0.00 0.00 57.72 55.58 1b3u n HIS 453 Cb 0.47 -0.95 -0.10 0.00 0.12 0.00 0.00 29.99 29.52 1b3u n HIS 453 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1b3u s VAL 454 N -3.42 5.09 0.49 0.61 1.01 -1.26 -4.97 120.40 117.95 1b3u s VAL 454 Ca -0.02 -0.61 0.35 0.00 0.00 0.00 0.00 61.98 61.70 1b3u s VAL 454 Cb 0.05 -3.78 0.55 0.00 0.00 0.00 0.00 36.38 33.19 1b3u s VAL 454 CO 0.15 -0.22 1.68 0.22 0.00 0.00 0.00 175.10 176.93 1b3u h TYR 455 N 8.55 0.30 -0.28 5.22 5.03 -2.00 0.16 116.97 133.94 1b3u h TYR 455 Ca -0.28 0.01 -0.15 0.00 2.58 0.00 0.00 58.73 60.90 1b3u h TYR 455 Cb 1.13 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 39.32 1b3u h TYR 455 CO 0.58 -0.07 -0.42 0.00 -1.32 0.00 0.00 178.16 176.93 1b3u h ALA 456 N 1.42 0.72 -0.07 1.82 0.00 -1.93 -2.10 119.26 119.12 1b3u h ALA 456 Ca 0.76 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 1b3u h ALA 456 Cb 2.63 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 20.31 1b3u h ALA 456 CO -0.21 0.66 -0.23 0.82 0.00 0.00 0.00 179.25 180.29 1b3u h ILE 457 N 0.57 1.43 -0.84 0.00 2.04 -1.06 -2.18 117.51 117.46 1b3u h ILE 457 Ca 0.04 -1.62 0.07 0.00 1.00 0.00 0.00 64.86 64.34 1b3u h ILE 457 Cb 0.97 2.30 -0.06 0.00 -0.74 0.00 0.00 36.82 39.29 1b3u h ILE 457 CO 0.09 0.46 0.52 0.03 0.00 0.00 0.00 178.15 179.25 1b3u h ARG 458 N -0.23 0.91 -0.54 2.37 3.08 -1.48 0.15 114.38 118.65 1b3u h ARG 458 Ca -0.01 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1b3u h ARG 458 Cb 0.87 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1b3u h ARG 458 CO 0.05 0.60 0.21 1.49 -1.07 0.00 0.00 179.97 181.25 1b3u h GLU 459 N 0.93 0.80 -0.24 0.04 4.81 -1.37 -1.59 114.58 117.97 1b3u h GLU 459 Ca 0.37 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1b3u h GLU 459 Cb 0.20 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1b3u h GLU 459 CO -0.18 0.70 0.03 0.00 -0.73 0.00 0.00 179.01 178.83 1b3u h ALA 460 N 1.06 0.32 -0.94 2.92 0.00 -0.66 -2.51 119.26 119.45 1b3u h ALA 460 Ca 0.18 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1b3u h ALA 460 Cb 0.20 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1b3u h ALA 460 CO -0.01 0.02 0.61 0.00 0.00 0.00 0.00 179.25 179.86 1b3u h ALA 461 N 0.84 1.48 0.66 0.00 0.00 -0.60 -0.27 119.26 121.37 1b3u h ALA 461 Ca 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1b3u h ALA 461 Cb 0.35 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1b3u h ALA 461 CO 0.01 0.37 -0.32 1.15 0.00 0.00 0.00 179.25 180.46 1b3u h THR 462 N 1.08 0.32 -0.65 0.00 2.02 -1.07 -0.90 112.91 113.70 1b3u h THR 462 Ca 0.41 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 67.54 1b3u h THR 462 Cb 0.21 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 1b3u h THR 462 CO -0.16 0.01 0.43 -1.28 0.37 0.00 0.00 175.52 174.89 1b3u h SER 463 N -0.96 0.64 0.48 4.18 0.87 -1.17 -2.20 113.55 115.39 1b3u h SER 463 Ca -0.09 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.44 1b3u h SER 463 Cb 0.70 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1b3u h SER 463 CO 0.15 0.44 -0.23 -1.13 -0.53 0.00 0.00 176.83 175.53 1b3u h ASN 464 N 0.74 -0.54 -0.95 6.23 -0.00 -0.83 -2.35 115.58 117.88 1b3u h ASN 464 Ca 0.27 -0.02 0.10 0.00 -0.00 0.00 0.00 56.30 56.65 1b3u h ASN 464 Cb 0.13 0.14 -0.08 0.00 -0.00 0.00 0.00 38.32 38.52 1b3u h ASN 464 CO -0.08 -0.33 0.59 0.25 -0.00 0.00 0.00 177.43 177.86 1b3u h LEU 465 N -0.72 0.88 0.42 0.34 5.85 -0.80 -2.19 115.31 119.09 1b3u h LEU 465 Ca -0.07 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1b3u h LEU 465 Cb 0.53 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 1b3u h LEU 465 CO 0.11 0.50 -0.25 0.50 -0.34 0.00 0.00 178.44 178.96 1b3u h LYS 466 N 0.98 -0.61 -0.72 1.25 3.64 -1.27 -2.88 116.57 116.96 1b3u h LYS 466 Ca 0.45 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.98 1b3u h LYS 466 Cb 0.37 0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 32.25 1b3u h LYS 466 CO -0.24 -0.41 0.34 0.87 -2.27 0.00 0.00 179.45 177.75 1b3u h LYS 467 N -0.63 0.54 -0.04 1.90 1.79 -1.01 -1.29 116.57 117.82 1b3u h LYS 467 Ca -0.05 -0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1b3u h LYS 467 Cb 0.51 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.00 1b3u h LYS 467 CO 0.06 0.36 -0.34 -0.07 -1.08 0.00 0.00 179.45 178.37 1b3u h LEU 468 N 0.56 -1.07 -0.69 2.94 4.07 -1.22 0.73 115.31 120.63 1b3u h LEU 468 Ca 0.37 0.12 0.13 0.00 0.08 0.00 0.00 57.88 58.58 1b3u h LEU 468 Cb 0.43 0.41 -0.09 0.00 1.08 0.00 0.00 40.66 42.49 1b3u h LEU 468 CO -0.30 -0.32 0.21 0.58 -1.08 0.00 0.00 178.44 177.53 1b3u h VAL 469 N -0.40 0.62 0.00 1.22 2.07 -1.26 0.64 116.25 119.14 1b3u h VAL 469 Ca 0.01 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1b3u h VAL 469 Cb 0.44 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1b3u h VAL 469 CO -0.25 0.06 -0.02 -0.33 0.02 0.00 0.00 177.57 177.05 1b3u h GLU 470 N 0.33 0.00 0.00 1.57 5.08 -0.54 0.62 114.58 121.64 1b3u h GLU 470 Ca 0.37 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.64 1b3u h GLU 470 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1b3u h GLU 470 CO -0.42 0.02 -0.69 -0.22 -1.00 0.00 0.00 179.01 176.70 1b3u h LYS 471 N 0.00 0.00 -0.02 2.33 3.64 0.16 -3.40 116.57 119.28 1b3u h LYS 471 Ca -0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1b3u h LYS 471 Cb 0.04 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1b3u h LYS 471 CO 0.00 0.48 -0.51 0.74 -2.27 0.00 0.00 179.45 177.89 1b3u h PHE 472 N -1.00 0.07 0.00 1.91 0.04 0.21 -3.50 116.94 114.67 1b3u h PHE 472 Ca -0.13 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.61 1b3u h PHE 472 Cb 0.80 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.94 1b3u h PHE 472 CO -0.03 0.56 0.00 0.41 -0.60 0.00 0.00 178.31 178.65 1b3u n GLY 473 N -0.03 2.82 0.25 -1.45 0.00 0.22 -4.62 105.19 102.38 1b3u n GLY 473 Ca -0.02 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1b3u n GLY 473 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1b3u h LYS 474 N 0.00 0.40 0.00 1.61 2.10 -1.86 -2.66 116.57 116.16 1b3u h LYS 474 Ca 0.00 -0.10 -0.08 0.00 -2.00 0.00 0.00 60.65 58.47 1b3u h LYS 474 Cb 0.00 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.27 1b3u h LYS 474 CO 0.00 0.51 -0.39 0.93 -2.00 0.00 0.00 179.45 178.50 1b3u h GLU 475 N 0.38 0.00 0.10 0.07 4.39 -1.95 -1.17 114.58 116.39 1b3u h GLU 475 Ca 0.08 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1b3u h GLU 475 Cb 0.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1b3u h GLU 475 CO 0.02 0.39 -0.05 2.35 -1.16 0.00 0.00 179.01 180.56 1b3u h TRP 476 N 0.00 -0.12 -0.91 4.33 7.01 -1.73 -2.08 115.95 122.44 1b3u h TRP 476 Ca -0.00 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.06 1b3u h TRP 476 Cb 0.87 0.04 -0.07 0.00 -2.10 0.00 0.00 29.16 27.91 1b3u h TRP 476 CO 0.00 0.11 0.57 0.00 -2.79 0.00 0.00 178.44 176.33 1b3u h ALA 477 N 0.53 1.27 -0.32 2.65 0.00 -1.37 0.32 119.26 122.33 1b3u h ALA 477 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1b3u h ALA 477 Cb 0.29 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1b3u h ALA 477 CO 0.02 0.31 0.13 1.25 0.00 0.00 0.00 179.25 180.97 1b3u h HIS 478 N 1.02 0.49 0.01 0.00 -0.00 -1.07 0.69 115.15 116.28 1b3u h HIS 478 Ca 0.40 -0.03 -0.25 0.00 -0.00 0.00 0.00 60.37 60.49 1b3u h HIS 478 Cb 0.20 -0.15 -0.04 0.00 -0.00 0.00 0.00 27.41 27.43 1b3u h HIS 478 CO -0.02 0.46 -1.32 0.00 -0.00 0.00 0.00 177.93 177.04 1b3u h ALA 479 N 0.98 0.53 0.00 5.26 0.00 -1.08 -3.37 119.26 121.58 1b3u h ALA 479 Ca 0.11 -1.16 -0.06 0.00 0.00 0.00 0.00 54.91 53.80 1b3u h ALA 479 Cb 0.17 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1b3u h ALA 479 CO -0.01 1.39 -1.84 2.41 0.00 0.00 0.00 179.25 181.20 1b3u n THR 480 N -3.22 0.23 -0.04 0.00 -1.04 0.11 -4.78 114.28 105.53 1b3u n THR 480 Ca -0.08 -0.45 -0.08 0.00 -2.04 0.00 0.00 64.05 61.41 1b3u n THR 480 Cb 0.99 -0.03 -0.03 0.00 -1.82 0.00 0.00 70.33 69.44 1b3u n THR 480 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1b3u n ILE 481 N -2.20 0.45 -0.30 12.58 5.41 0.11 -4.77 119.36 130.64 1b3u n ILE 481 Ca -0.08 -0.13 0.06 0.00 1.00 0.00 0.00 62.75 63.60 1b3u n ILE 481 Cb 0.56 -1.35 0.21 0.00 -0.71 0.00 0.00 39.64 38.36 1b3u n ILE 481 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1b3u h ILE 482 N -0.20 0.78 -0.46 1.39 2.04 -1.38 -2.38 117.51 117.30 1b3u h ILE 482 Ca -0.20 -0.24 0.08 0.00 1.00 0.00 0.00 64.86 65.51 1b3u h ILE 482 Cb 1.21 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.25 1b3u h ILE 482 CO -0.10 0.13 0.03 -0.65 0.00 0.00 0.00 178.15 177.56 1b3u h PRO 483 N 0.69 0.15 -0.56 2.37 0.11 -1.85 -0.77 132.00 132.14 1b3u h PRO 483 Ca 0.45 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.47 1b3u h PRO 483 Cb 0.58 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 1b3u h PRO 483 CO -0.33 0.10 0.00 0.87 -0.21 0.00 0.00 178.00 178.43 1b3u h LYS 484 N 0.15 0.96 -0.06 1.05 1.79 -1.77 -0.72 116.57 117.97 1b3u h LYS 484 Ca 0.23 -0.29 -0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1b3u h LYS 484 Cb 0.33 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1b3u h LYS 484 CO -0.36 0.95 0.03 0.28 -1.08 0.00 0.00 179.45 179.27 1b3u h VAL 485 N 0.89 1.07 -0.22 0.50 2.07 -0.86 -3.01 116.25 116.68 1b3u h VAL 485 Ca 0.16 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1b3u h VAL 485 Cb 0.52 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1b3u h VAL 485 CO 0.03 0.06 0.08 -0.07 0.02 0.00 0.00 177.57 177.68 1b3u h LEU 486 N 0.02 0.32 -1.80 2.57 3.38 -1.06 -3.08 115.31 115.66 1b3u h LEU 486 Ca 0.02 -0.19 0.31 0.00 0.09 0.00 0.00 57.88 58.11 1b3u h LEU 486 Cb 0.06 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 1b3u h LEU 486 CO -0.00 0.42 0.78 0.00 0.09 0.00 0.00 178.44 179.73 1b3u h ALA 487 N 0.91 2.82 -0.02 1.53 0.00 -1.04 0.20 119.26 123.66 1b3u h ALA 487 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1b3u h ALA 487 Cb 0.22 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1b3u h ALA 487 CO -0.00 -1.18 -0.12 0.00 0.00 0.00 0.00 179.25 177.95 1b3u n MET 488 N -4.33 1.66 0.17 0.00 0.00 -1.15 -4.33 117.12 109.15 1b3u n MET 488 Ca 0.25 -1.19 0.08 0.00 0.00 0.00 0.00 57.70 56.84 1b3u n MET 488 Cb 1.11 -1.48 0.59 0.00 0.00 0.00 0.00 33.22 33.45 1b3u n MET 488 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1b3u h SER 489 N 2.91 0.12 -0.83 3.17 4.64 -0.61 -2.52 113.55 120.43 1b3u h SER 489 Ca 0.00 -0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 1b3u h SER 489 Cb 0.70 -0.03 -0.26 0.00 -0.31 0.00 0.00 62.40 62.50 1b3u h SER 489 CO 0.00 0.08 0.44 0.61 -0.87 0.00 0.00 176.83 177.09 1b3u n GLY 490 N -1.53 5.00 3.74 -0.77 0.00 -1.26 -4.75 105.19 105.62 1b3u n GLY 490 Ca -0.00 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.16 1b3u n GLY 490 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1b3u s ASP 491 N -1.85 6.96 0.58 1.61 1.11 -0.95 -4.96 116.67 119.17 1b3u s ASP 491 Ca 0.55 1.15 0.29 0.00 0.18 0.00 0.00 52.55 54.72 1b3u s ASP 491 Cb 0.46 -2.38 1.47 0.00 1.07 0.00 0.00 42.92 43.55 1b3u s ASP 491 CO 0.05 0.02 1.89 1.55 1.18 0.00 0.00 175.17 179.87 1b3u h PRO 492 N 6.08 0.00 -5.63 8.23 0.13 -1.94 -3.37 132.00 135.50 1b3u h PRO 492 Ca -0.43 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.06 1b3u h PRO 492 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 1b3u h PRO 492 CO 0.72 0.00 0.35 1.21 -0.23 0.00 0.00 178.00 180.05 1b3u s ASN 493 N -5.33 6.34 0.62 1.44 2.47 -1.26 -4.93 114.94 114.29 1b3u s ASN 493 Ca -0.04 -0.36 0.29 0.00 0.42 0.00 0.00 52.86 53.16 1b3u s ASN 493 Cb 0.17 -2.38 1.52 0.00 -1.45 0.00 0.00 41.25 39.11 1b3u s ASN 493 CO 0.60 -1.01 1.91 0.10 -3.72 0.00 0.00 177.10 174.98 1b3u h TYR 494 N 9.09 0.00 -0.57 0.43 -0.00 -1.99 -0.14 116.97 123.78 1b3u h TYR 494 Ca -0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.45 1b3u h TYR 494 Cb 1.08 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 37.79 1b3u h TYR 494 CO 0.82 0.00 0.28 1.25 -0.00 0.00 0.00 178.16 180.51 1b3u h LEU 495 N 0.00 0.71 -0.27 0.10 5.85 -1.91 0.18 115.31 119.96 1b3u h LEU 495 Ca 0.13 -0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.66 1b3u h LEU 495 Cb 0.96 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 1b3u h LEU 495 CO -0.00 0.60 -0.32 0.45 -0.34 0.00 0.00 178.44 178.83 1b3u h HIS 496 N 0.80 0.85 -0.71 1.25 3.86 -1.35 -2.48 115.15 117.37 1b3u h HIS 496 Ca 0.20 -0.27 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 1b3u h HIS 496 Cb 0.07 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 1b3u h HIS 496 CO 0.01 1.02 0.39 0.00 0.86 0.00 0.00 177.93 180.21 1b3u h ARG 497 N 0.43 0.98 -0.10 2.45 3.08 -1.26 -2.19 114.38 117.76 1b3u h ARG 497 Ca 0.04 -0.10 -0.17 0.00 0.07 0.00 0.00 59.98 59.81 1b3u h ARG 497 Cb 0.90 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1b3u h ARG 497 CO 0.08 0.71 -0.66 0.52 -1.07 0.00 0.00 179.97 179.55 1b3u h MET 498 N 0.99 0.41 -0.65 0.04 2.86 -0.98 -2.66 114.93 114.94 1b3u h MET 498 Ca 0.25 -0.30 0.10 0.00 -2.06 0.00 0.00 59.70 57.69 1b3u h MET 498 Cb 0.02 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 1b3u h MET 498 CO -0.04 0.92 0.43 1.15 1.06 0.00 0.00 176.91 180.44 1b3u h THR 499 N 0.29 0.89 -0.07 2.22 2.02 -0.92 0.11 112.91 117.45 1b3u h THR 499 Ca -0.02 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 1b3u h THR 499 Cb 1.21 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1b3u h THR 499 CO 0.11 0.08 0.02 0.74 0.37 0.00 0.00 175.52 176.85 1b3u h THR 500 N 0.45 1.16 -0.14 3.16 2.02 -1.11 -1.12 112.91 117.33 1b3u h THR 500 Ca 0.30 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1b3u h THR 500 Cb 0.57 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1b3u h THR 500 CO -0.09 0.14 0.07 -0.07 0.37 0.00 0.00 175.52 175.93 1b3u h LEU 501 N -0.07 0.19 -1.51 2.58 3.38 -1.06 -1.31 115.31 117.51 1b3u h LEU 501 Ca 0.02 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1b3u h LEU 501 Cb 0.20 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1b3u h LEU 501 CO -0.00 0.27 0.33 -0.26 0.09 0.00 0.00 178.44 178.87 1b3u h PHE 502 N 0.10 0.63 -0.18 1.13 0.04 -0.82 -0.46 116.94 117.38 1b3u h PHE 502 Ca 0.05 0.01 -0.20 0.00 2.80 0.00 0.00 57.97 60.63 1b3u h PHE 502 Cb 0.13 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.07 1b3u h PHE 502 CO -0.02 0.39 -0.68 0.00 -0.60 0.00 0.00 178.31 177.40 1b3u h ILE 504 N 0.51 1.22 -0.63 0.00 2.04 -0.21 0.23 117.51 120.67 1b3u h ILE 504 Ca -0.02 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 64.98 1b3u h ILE 504 Cb 1.29 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 1b3u h ILE 504 CO 0.14 0.31 0.42 0.78 0.00 0.00 0.00 178.15 179.79 1b3u h ASN 505 N 0.67 0.72 0.15 1.72 -0.26 -1.08 -0.29 115.58 117.20 1b3u h ASN 505 Ca 0.14 -0.02 -0.33 0.00 -0.56 0.00 0.00 56.30 55.53 1b3u h ASN 505 Cb 0.36 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.44 1b3u h ASN 505 CO 0.01 0.52 -1.69 0.58 -1.06 0.00 0.00 177.43 175.79 1b3u h VAL 506 N 0.85 0.90 -0.07 2.81 2.07 -1.45 -3.37 116.25 117.99 1b3u h VAL 506 Ca 0.23 -2.43 -0.05 0.00 0.82 0.00 0.00 66.70 65.27 1b3u h VAL 506 Cb -0.08 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1b3u h VAL 506 CO -0.05 0.81 -0.19 -0.07 0.02 0.00 0.00 177.57 178.09 1b3u h LEU 507 N -0.05 0.11 0.05 2.57 3.38 -0.36 -3.15 115.31 117.85 1b3u h LEU 507 Ca -0.35 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1b3u h LEU 507 Cb 1.97 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.69 1b3u h LEU 507 CO 0.12 0.30 -0.02 0.77 0.09 0.00 0.00 178.44 179.70 1b3u h SER 508 N 0.11 -0.05 -1.28 -0.43 4.64 -1.21 -1.37 113.55 113.96 1b3u h SER 508 Ca 0.02 -0.09 0.43 0.00 -0.47 0.00 0.00 61.79 61.67 1b3u h SER 508 Cb 0.40 0.01 -0.13 0.00 -0.31 0.00 0.00 62.40 62.37 1b3u h SER 508 CO 0.03 0.06 0.81 -0.33 -0.87 0.00 0.00 176.83 176.53 1b3u h GLU 509 N -0.16 0.09 0.00 4.77 5.08 -1.71 -3.05 114.58 119.60 1b3u h GLU 509 Ca -0.01 -0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.15 1b3u h GLU 509 Cb 0.14 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1b3u h GLU 509 CO 0.01 0.06 -1.74 0.28 -1.00 0.00 0.00 179.01 176.62 1b3u n VAL 510 N -4.75 0.75 0.30 3.13 0.31 -1.15 -4.64 118.33 112.28 1b3u n VAL 510 Ca 0.37 -0.43 0.16 0.00 -0.01 0.00 0.00 64.34 64.42 1b3u n VAL 510 Cb 1.39 -0.75 0.74 0.00 -0.91 0.00 0.00 33.84 34.31 1b3u n VAL 510 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b3u n GLY 512 N -0.50 0.29 0.41 0.00 0.00 -1.22 -4.41 105.19 99.75 1b3u n GLY 512 Ca -0.00 -1.85 -0.18 0.00 0.00 0.00 0.00 46.02 44.00 1b3u n GLY 512 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1b3u h GLN 513 N 0.00 -0.97 0.03 1.61 4.15 -1.89 -2.30 115.11 115.74 1b3u h GLN 513 Ca 0.00 0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.51 1b3u h GLN 513 Cb 0.00 0.22 -0.04 0.00 0.21 0.00 0.00 27.48 27.87 1b3u h GLN 513 CO 0.00 -0.62 -0.22 -0.44 -1.93 0.00 0.00 178.83 175.62 1b3u h ASP 514 N -1.12 -0.64 -0.29 -0.69 3.32 -1.92 0.48 116.42 115.56 1b3u h ASP 514 Ca -0.10 0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.07 1b3u h ASP 514 Cb 0.79 0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 1b3u h ASP 514 CO 0.17 -0.29 0.08 0.40 -1.72 0.00 0.00 179.24 177.88 1b3u h ILE 515 N -0.36 0.89 -0.54 0.35 2.04 -1.77 0.33 117.51 118.45 1b3u h ILE 515 Ca 0.05 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1b3u h ILE 515 Cb 0.43 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1b3u h ILE 515 CO -0.18 0.04 0.35 0.74 0.00 0.00 0.00 178.15 179.09 1b3u h THR 516 N 0.20 1.11 -0.51 -0.27 2.02 -1.17 0.83 112.91 115.13 1b3u h THR 516 Ca 0.13 -0.24 -0.09 0.00 0.77 0.00 0.00 66.41 66.99 1b3u h THR 516 Cb 0.12 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1b3u h THR 516 CO -0.15 0.13 -0.02 0.74 0.37 0.00 0.00 175.52 176.58 1b3u h THR 517 N 0.70 1.26 0.18 3.16 2.02 -0.48 0.12 112.91 119.89 1b3u h THR 517 Ca 0.20 -1.12 -0.34 0.00 0.77 0.00 0.00 66.41 65.93 1b3u h THR 517 Cb -0.05 0.98 0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1b3u h THR 517 CO -0.06 0.39 -1.65 0.50 0.37 0.00 0.00 175.52 175.07 1b3u h LYS 518 N 0.77 0.39 0.00 6.66 3.64 -0.81 -3.38 116.57 123.84 1b3u h LYS 518 Ca 0.14 -0.67 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1b3u h LYS 518 Cb 0.55 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1b3u h LYS 518 CO 0.03 1.30 -1.23 0.72 -2.27 0.00 0.00 179.45 178.00 1b3u n HIS 519 N -3.58 0.00 0.00 1.91 8.25 0.27 -4.78 115.22 117.29 1b3u n HIS 519 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 1b3u n HIS 519 Cb 1.07 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 32.01 1b3u n HIS 519 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1b3u n MET 520 N -1.71 0.00 -0.19 -0.41 2.81 -0.69 -4.80 117.12 112.13 1b3u n MET 520 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1b3u n MET 520 Cb 0.34 -0.84 0.10 0.00 -0.71 0.00 0.00 33.22 32.11 1b3u n MET 520 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1b3u h LEU 521 N 0.00 0.00 -0.53 4.03 5.85 -0.96 -2.51 115.31 121.20 1b3u h LEU 521 Ca 0.00 0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.93 1b3u h LEU 521 Cb 0.91 0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.99 1b3u h LEU 521 CO 0.00 0.02 -0.04 -0.65 -0.34 0.00 0.00 178.44 177.42 1b3u h PRO 522 N 0.26 0.07 -0.63 5.25 0.11 -1.85 -1.11 132.00 134.10 1b3u h PRO 522 Ca 0.30 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.40 1b3u h PRO 522 Cb 0.44 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.50 1b3u h PRO 522 CO -0.39 0.05 0.38 1.15 -0.21 0.00 0.00 178.00 178.99 1b3u h THR 523 N 0.08 1.18 -0.65 -1.15 2.02 -1.77 -1.22 112.91 111.39 1b3u h THR 523 Ca 0.26 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1b3u h THR 523 Cb 0.41 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 1b3u h THR 523 CO -0.48 0.18 0.35 0.58 0.37 0.00 0.00 175.52 176.53 1b3u h VAL 524 N 0.85 1.21 -0.35 3.16 2.07 -0.95 -1.38 116.25 120.85 1b3u h VAL 524 Ca 0.23 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1b3u h VAL 524 Cb -0.04 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1b3u h VAL 524 CO -0.04 0.23 0.16 -0.07 0.02 0.00 0.00 177.57 177.86 1b3u h LEU 525 N 0.89 0.47 -0.92 2.57 3.38 -0.91 -2.52 115.31 118.27 1b3u h LEU 525 Ca 0.23 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.12 1b3u h LEU 525 Cb 0.05 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 1b3u h LEU 525 CO -0.04 0.48 0.58 -0.09 0.09 0.00 0.00 178.44 179.47 1b3u h ARG 526 N 0.42 1.04 -0.41 1.13 9.65 -1.01 -1.57 114.38 123.62 1b3u h ARG 526 Ca 0.12 -0.06 0.12 0.00 -1.10 0.00 0.00 59.98 59.05 1b3u h ARG 526 Cb 0.15 -0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 28.48 1b3u h ARG 526 CO -0.01 0.69 0.32 0.52 2.80 0.00 0.00 179.97 184.29 1b3u h MET 527 N 1.07 0.00 -1.03 0.20 2.86 -0.80 -2.86 114.93 114.37 1b3u h MET 527 Ca 0.40 0.00 0.35 0.00 -2.06 0.00 0.00 59.70 58.39 1b3u h MET 527 Cb 0.15 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 31.66 1b3u h MET 527 CO -0.17 0.00 0.59 0.00 1.06 0.00 0.00 176.91 178.39 1b3u h ALA 528 N 1.74 2.07 -0.58 6.32 0.00 -1.21 0.19 119.26 127.80 1b3u h ALA 528 Ca 0.19 0.20 -0.37 0.00 0.00 0.00 0.00 54.91 54.94 1b3u h ALA 528 Cb 0.84 0.20 -0.17 0.00 0.00 0.00 0.00 17.79 18.66 1b3u h ALA 528 CO -0.00 -0.73 0.48 0.41 0.00 0.00 0.00 179.25 179.41 1b3u n GLY 529 N -1.30 4.21 3.77 0.00 0.00 -1.08 -4.85 105.19 105.93 1b3u n GLY 529 Ca 0.34 -1.16 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 1b3u n GLY 529 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1b3u s ASP 530 N -0.24 7.42 0.09 1.61 2.15 0.67 -5.00 116.67 123.37 1b3u s ASP 530 Ca 0.36 1.73 -0.34 0.00 0.43 0.00 0.00 52.55 54.73 1b3u s ASP 530 Cb 0.29 -2.53 -0.15 0.00 -0.30 0.00 0.00 42.92 40.23 1b3u s ASP 530 CO 0.01 0.14 1.58 -0.65 -0.17 0.00 0.00 175.17 176.08 1b3u h PRO 531 N 4.02 -0.86 -6.21 4.34 0.11 -1.92 -3.41 132.00 128.07 1b3u h PRO 531 Ca -0.47 0.06 -0.57 0.00 0.11 0.00 0.00 66.00 65.13 1b3u h PRO 531 Cb 1.20 0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.50 1b3u h PRO 531 CO 0.66 -0.58 1.28 0.08 -0.21 0.00 0.00 178.00 179.23 1b3u s VAL 532 N -5.92 3.35 0.45 3.15 1.01 -1.26 -4.84 120.40 116.34 1b3u s VAL 532 Ca -0.17 0.38 0.29 0.00 0.00 0.00 0.00 61.98 62.47 1b3u s VAL 532 Cb 0.05 -3.38 0.32 0.00 0.00 0.00 0.00 36.38 33.37 1b3u s VAL 532 CO 0.62 -0.18 2.12 0.00 0.00 0.00 0.00 175.10 177.65 1b3u h ALA 533 N 12.34 1.31 0.00 5.51 0.00 -2.00 0.30 119.26 136.72 1b3u h ALA 533 Ca -0.38 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1b3u h ALA 533 Cb 1.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1b3u h ALA 533 CO 0.98 0.11 -0.07 -0.97 0.00 0.00 0.00 179.25 179.30 1b3u h ASN 534 N 0.00 0.00 0.06 0.00 -1.24 -1.95 -1.08 115.58 111.37 1b3u h ASN 534 Ca -0.00 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.92 1b3u h ASN 534 Cb 0.26 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.31 1b3u h ASN 534 CO 0.01 0.07 -0.40 0.58 -1.29 0.00 0.00 177.43 176.40 1b3u h VAL 535 N 0.00 1.65 -0.63 2.57 2.07 -1.33 -3.27 116.25 117.31 1b3u h VAL 535 Ca -0.00 -2.43 0.06 0.00 0.82 0.00 0.00 66.70 65.15 1b3u h VAL 535 Cb 0.12 3.28 -0.05 0.00 -1.52 0.00 0.00 31.29 33.12 1b3u h VAL 535 CO 0.01 0.65 0.33 0.03 0.02 0.00 0.00 177.57 178.62 1b3u h ARG 536 N -0.72 0.60 0.00 1.57 3.08 -1.01 -0.21 114.38 117.69 1b3u h ARG 536 Ca -0.07 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1b3u h ARG 536 Cb 1.29 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1b3u h ARG 536 CO 0.06 0.40 0.00 0.27 -1.07 0.00 0.00 179.97 179.63 1b3u h PHE 537 N 0.62 0.00 0.00 3.04 -5.15 -1.38 -1.25 116.94 112.82 1b3u h PHE 537 Ca 0.28 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.98 1b3u h PHE 537 Cb 0.19 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.35 1b3u h PHE 537 CO -0.09 0.00 -0.39 -0.97 -2.00 0.00 0.00 178.31 174.86 1b3u h ASN 538 N 0.00 0.00 0.13 -0.68 -1.24 -1.14 -3.04 115.58 109.61 1b3u h ASN 538 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1b3u h ASN 538 Cb 0.51 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.56 1b3u h ASN 538 CO 0.00 0.35 -0.06 0.58 -1.29 0.00 0.00 177.43 177.01 1b3u h VAL 539 N 0.00 1.01 -0.88 2.57 2.07 0.02 -2.11 116.25 118.94 1b3u h VAL 539 Ca -0.01 -0.66 0.13 0.00 0.82 0.00 0.00 66.70 66.98 1b3u h VAL 539 Cb 1.27 1.42 -0.07 0.00 -1.52 0.00 0.00 31.29 32.40 1b3u h VAL 539 CO 0.05 0.16 0.57 0.00 0.02 0.00 0.00 177.57 178.36 1b3u h ALA 540 N 0.31 1.79 -0.40 1.67 0.00 -1.52 0.13 119.26 121.25 1b3u h ALA 540 Ca -0.02 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1b3u h ALA 540 Cb 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1b3u h ALA 540 CO 0.03 -0.01 -0.30 0.87 0.00 0.00 0.00 179.25 179.83 1b3u h LYS 541 N 0.73 0.87 -0.25 0.00 1.57 -1.41 -1.96 116.57 116.11 1b3u h LYS 541 Ca 0.43 -0.41 -0.18 0.00 -1.87 0.00 0.00 60.65 58.62 1b3u h LYS 541 Cb 0.63 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1b3u h LYS 541 CO -0.19 1.05 -0.57 0.77 -0.57 0.00 0.00 179.45 179.94 1b3u h SER 542 N 0.73 0.88 -0.58 0.86 0.02 -0.43 -1.55 113.55 113.48 1b3u h SER 542 Ca 0.08 -0.48 -0.05 0.00 -0.84 0.00 0.00 61.79 60.50 1b3u h SER 542 Cb 0.86 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 1b3u h SER 542 CO 0.08 1.26 0.18 -0.07 -1.14 0.00 0.00 176.83 177.13 1b3u h LEU 543 N 0.60 0.88 -0.81 5.07 3.38 -0.76 0.51 115.31 124.17 1b3u h LEU 543 Ca 0.01 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 1b3u h LEU 543 Cb 1.16 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1b3u h LEU 543 CO 0.12 0.83 -0.51 -0.61 0.09 0.00 0.00 178.44 178.36 1b3u h GLN 544 N 0.91 0.20 0.14 1.13 4.15 -1.26 0.63 115.11 121.01 1b3u h GLN 544 Ca 0.20 -0.12 -0.30 0.00 0.77 0.00 0.00 58.65 59.21 1b3u h GLN 544 Cb 0.28 0.01 0.02 0.00 0.21 0.00 0.00 27.48 28.00 1b3u h GLN 544 CO -0.01 0.67 -1.27 -0.22 -1.93 0.00 0.00 178.83 176.07 1b3u h LYS 545 N 0.16 0.52 0.00 1.69 3.64 -0.25 -3.36 116.57 118.97 1b3u h LYS 545 Ca 0.00 -0.75 0.00 0.00 -1.27 0.00 0.00 60.65 58.63 1b3u h LYS 545 Cb 0.96 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1b3u h LYS 545 CO 0.08 1.34 -1.53 0.44 -2.27 0.00 0.00 179.45 177.51 1b3u n ILE 546 N -3.72 0.16 -0.25 2.00 -5.35 0.17 -4.48 119.36 107.89 1b3u n ILE 546 Ca -0.13 -0.42 0.05 0.00 -0.27 0.00 0.00 62.75 61.99 1b3u n ILE 546 Cb 1.01 0.06 0.17 0.00 -1.74 0.00 0.00 39.64 39.14 1b3u n ILE 546 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1b3u h GLY 547 N 4.19 0.93 1.51 3.28 0.00 0.14 0.09 103.07 113.22 1b3u h GLY 547 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1b3u h GLY 547 CO 0.00 -0.24 0.00 -1.55 0.00 0.00 0.00 176.54 174.75 1b3u n PRO 548 N -5.24 0.13 0.04 4.80 -0.04 -1.26 -2.24 135.00 131.19 1b3u n PRO 548 Ca 0.14 0.19 -0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1b3u n PRO 548 Cb 0.46 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 1b3u n PRO 548 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1b3u h ILE 549 N 0.00 0.57 -4.30 0.52 2.04 -1.27 -3.47 117.51 111.59 1b3u h ILE 549 Ca 0.00 -2.06 -0.50 0.00 1.00 0.00 0.00 64.86 63.30 1b3u h ILE 549 Cb 0.07 2.10 0.11 0.00 -0.74 0.00 0.00 36.82 38.36 1b3u h ILE 549 CO 0.00 0.32 0.35 -0.76 0.00 0.00 0.00 178.15 178.06 1b3u s LEU 550 N -5.88 2.78 0.57 1.44 1.43 -0.95 -4.52 118.68 113.55 1b3u s LEU 550 Ca -0.02 1.42 -0.18 0.00 -1.03 0.00 0.00 54.13 54.33 1b3u s LEU 550 Cb 0.09 -4.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.14 1b3u s LEU 550 CO 0.80 -1.80 1.09 1.51 0.23 0.00 0.00 176.35 178.18 1b3u s ASP 551 N -3.85 5.72 0.28 2.29 1.47 -1.26 -4.85 116.67 116.47 1b3u s ASP 551 Ca 0.60 1.99 0.01 0.00 1.18 0.00 0.00 52.55 56.32 1b3u s ASP 551 Cb -0.14 -2.56 0.52 0.00 -0.34 0.00 0.00 42.92 40.40 1b3u s ASP 551 CO 0.55 -1.21 1.85 -1.13 0.68 0.00 0.00 175.17 175.90 1b3u h ASN 552 N 0.80 0.96 0.48 2.11 -1.24 -1.95 -1.51 115.58 115.22 1b3u h ASN 552 Ca -0.48 0.04 -0.02 0.00 0.71 0.00 0.00 56.30 56.54 1b3u h ASN 552 Cb 1.24 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 40.14 1b3u h ASN 552 CO 0.57 0.54 -0.23 0.28 -1.29 0.00 0.00 177.43 177.29 1b3u h SER 553 N 1.04 -0.55 -0.45 1.15 0.02 -2.00 -2.00 113.55 110.77 1b3u h SER 553 Ca 0.48 -0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.49 1b3u h SER 553 Cb 0.41 0.14 -0.07 0.00 0.14 0.00 0.00 62.40 63.02 1b3u h SER 553 CO -0.24 -0.33 0.06 0.74 -1.14 0.00 0.00 176.83 175.92 1b3u h THR 554 N -0.73 0.72 -0.69 -2.27 2.02 -1.91 0.78 112.91 110.84 1b3u h THR 554 Ca -0.07 -0.06 0.15 0.00 0.77 0.00 0.00 66.41 67.20 1b3u h THR 554 Cb 0.53 0.52 -0.11 0.00 -1.74 0.00 0.00 68.15 67.36 1b3u h THR 554 CO 0.11 0.03 0.06 0.25 0.37 0.00 0.00 175.52 176.34 1b3u h LEU 555 N 0.18 -0.21 0.04 2.58 5.85 -1.07 0.26 115.31 122.94 1b3u h LEU 555 Ca 0.22 0.16 -0.26 0.00 0.84 0.00 0.00 57.88 58.84 1b3u h LEU 555 Cb 0.30 0.27 0.02 0.00 0.37 0.00 0.00 40.66 41.62 1b3u h LEU 555 CO -0.32 -0.11 -1.03 1.56 -0.34 0.00 0.00 178.44 178.20 1b3u h GLN 556 N 0.16 0.64 0.01 1.25 4.20 -0.49 -2.49 115.11 118.38 1b3u h GLN 556 Ca 0.37 -0.73 -0.21 0.00 0.06 0.00 0.00 58.65 58.14 1b3u h GLN 556 Cb 0.63 0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.60 1b3u h GLN 556 CO -0.56 1.31 -0.97 0.66 -0.67 0.00 0.00 178.83 178.60 1b3u h SER 557 N 0.28 0.04 0.00 1.46 4.64 -0.49 -3.35 113.55 116.12 1b3u h SER 557 Ca -0.14 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1b3u h SER 557 Cb 1.71 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1b3u h SER 557 CO 0.20 0.99 -0.49 -0.62 -0.87 0.00 0.00 176.83 176.04 1b3u n GLU 558 N -3.42 0.28 0.04 4.77 4.71 0.89 -4.64 120.64 123.27 1b3u n GLU 558 Ca -0.01 0.18 -0.12 0.00 -0.01 0.00 0.00 57.16 57.20 1b3u n GLU 558 Cb 0.91 -1.07 -0.00 0.00 -1.01 0.00 0.00 31.44 30.27 1b3u n GLU 558 CO 0.00 0.00 0.00 -0.39 0.09 0.00 0.00 177.13 176.83 1b3u h VAL 559 N -0.55 1.36 0.18 2.62 -1.51 -1.62 -3.24 116.25 113.49 1b3u h VAL 559 Ca 0.00 -2.13 0.01 0.00 -1.23 0.00 0.00 66.70 63.35 1b3u h VAL 559 Cb 0.49 2.11 -0.04 0.00 -2.13 0.00 0.00 31.29 31.72 1b3u h VAL 559 CO 0.00 0.65 -0.45 0.50 -1.23 0.00 0.00 177.57 177.04 1b3u h LYS 560 N 0.33 -0.70 -0.64 5.19 3.64 -1.58 0.17 116.57 122.99 1b3u h LYS 560 Ca -0.04 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1b3u h LYS 560 Cb 1.35 0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 33.27 1b3u h LYS 560 CO 0.14 -0.46 0.30 -1.00 -2.27 0.00 0.00 179.45 176.16 1b3u h PRO 561 N -0.72 0.53 0.05 1.90 0.13 -1.74 -1.90 132.00 130.25 1b3u h PRO 561 Ca 0.00 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 65.11 1b3u h PRO 561 Cb 0.72 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.71 1b3u h PRO 561 CO -0.22 0.35 -0.10 0.82 -0.23 0.00 0.00 178.00 178.62 1b3u h ILE 562 N 0.54 0.76 -0.95 -3.56 1.08 -1.47 -1.79 117.51 112.12 1b3u h ILE 562 Ca 0.31 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.87 1b3u h ILE 562 Cb 0.30 0.76 -0.07 0.00 -3.07 0.00 0.00 36.82 34.73 1b3u h ILE 562 CO -0.24 0.00 0.61 -0.07 -0.69 0.00 0.00 178.15 177.76 1b3u h LEU 563 N -0.20 0.90 -0.84 1.44 3.38 -0.25 -0.93 115.31 118.80 1b3u h LEU 563 Ca 0.02 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1b3u h LEU 563 Cb 0.22 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1b3u h LEU 563 CO -0.07 0.52 -0.44 -0.33 0.09 0.00 0.00 178.44 178.21 1b3u h GLU 564 N 0.99 0.30 0.00 1.13 5.08 -1.08 -2.33 114.58 118.66 1b3u h GLU 564 Ca 0.45 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1b3u h GLU 564 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1b3u h GLU 564 CO -0.20 0.69 0.00 -0.22 -1.00 0.00 0.00 179.01 178.28 1b3u h LYS 565 N 0.25 0.00 0.03 2.33 3.64 -0.30 -2.88 116.57 119.64 1b3u h LYS 565 Ca 0.02 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.08 1b3u h LYS 565 Cb 0.88 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.66 1b3u h LYS 565 CO 0.07 0.00 -1.85 1.28 -2.27 0.00 0.00 179.45 176.68 1b3u n LEU 566 N -2.79 1.35 0.00 5.20 4.77 -0.90 -3.86 117.00 120.77 1b3u n LEU 566 Ca 0.00 0.32 0.09 0.00 -0.03 0.00 0.00 56.01 56.39 1b3u n LEU 566 Cb 0.22 -0.19 0.47 0.00 -2.33 0.00 0.00 43.42 41.59 1b3u n LEU 566 CO 0.22 0.54 0.75 0.35 -1.33 0.00 0.00 177.39 177.92 1b3u n THR 567 N -3.15 0.34 0.00 -5.08 -2.24 -1.07 -4.20 114.28 98.88 1b3u n THR 567 Ca -0.23 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1b3u n THR 567 Cb 1.06 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1b3u n THR 567 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b3u n GLN 568 N -1.20 0.00 0.00 -0.78 10.64 -1.22 -4.84 117.38 119.99 1b3u n GLN 568 Ca 0.10 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.27 1b3u n GLN 568 Cb 0.11 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.49 1b3u n GLN 568 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1b3u n ASP 569 N 0.00 0.00 -4.83 2.61 8.00 -1.26 -4.32 116.55 116.75 1b3u n ASP 569 Ca 0.00 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.17 1b3u n ASP 569 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 1b3u n ASP 569 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1b3u s GLN 570 N -0.11 4.19 0.00 -1.24 -1.52 -1.26 -5.08 119.66 114.64 1b3u s GLN 570 Ca 0.00 0.99 0.00 0.00 -1.95 0.00 0.00 55.36 54.40 1b3u s GLN 570 Cb 0.00 -2.31 0.00 0.00 -0.22 0.00 0.00 33.01 30.48 1b3u s GLN 570 CO 0.00 0.06 0.00 -0.40 -0.25 0.00 0.00 175.29 174.70 1b3u n ASP 571 N -0.45 0.00 0.00 5.90 5.75 -1.26 -4.71 116.55 121.78 1b3u n ASP 571 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 1b3u n ASP 571 Cb 0.53 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 1b3u n ASP 571 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1b3u n VAL 572 N 0.00 0.00 0.20 2.12 0.31 -1.26 -2.37 118.33 117.32 1b3u n VAL 572 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.43 1b3u n VAL 572 Cb 0.00 0.00 0.26 0.00 -0.91 0.00 0.00 33.84 33.19 1b3u n VAL 572 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1b3u n ASP 573 N -2.54 3.11 -0.22 4.52 8.00 -1.26 -4.25 116.55 123.91 1b3u n ASP 573 Ca 0.00 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.52 1b3u n ASP 573 Cb 0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 1b3u n ASP 573 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1b3u n VAL 574 N 1.21 0.00 0.01 2.53 3.14 -1.00 -2.50 118.33 121.72 1b3u n VAL 574 Ca 0.20 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.57 1b3u n VAL 574 Cb 0.50 -0.23 -0.00 0.00 -1.06 0.00 0.00 33.84 33.05 1b3u n VAL 574 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1b3u n LYS 575 N -0.24 0.02 0.00 1.45 5.02 -1.26 -3.93 118.16 119.22 1b3u n LYS 575 Ca 0.00 0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.20 1b3u n LYS 575 Cb 0.09 -0.53 -0.04 0.00 -0.02 0.00 0.00 35.03 34.53 1b3u n LYS 575 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1b3u h TYR 576 N -0.03 -0.16 -0.34 2.13 3.20 -1.83 0.27 116.97 120.21 1b3u h TYR 576 Ca -0.01 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 1b3u h TYR 576 Cb 0.70 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 1b3u h TYR 576 CO -0.01 -0.10 -0.07 0.74 -1.64 0.00 0.00 178.16 177.08 1b3u h PHE 577 N -0.07 0.60 0.02 -3.82 0.04 -1.78 0.14 116.94 112.07 1b3u h PHE 577 Ca 0.06 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 1b3u h PHE 577 Cb 0.16 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1b3u h PHE 577 CO -0.18 0.63 -0.01 0.00 -0.60 0.00 0.00 178.31 178.14 1b3u h ALA 578 N 1.40 -0.03 -0.32 2.45 0.00 -1.55 -2.61 119.26 118.60 1b3u h ALA 578 Ca 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1b3u h ALA 578 Cb 0.45 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1b3u h ALA 578 CO 0.02 -0.34 0.17 0.37 0.00 0.00 0.00 179.25 179.47 1b3u h GLN 579 N -0.37 0.46 -1.09 0.00 5.75 -0.36 -2.17 115.11 117.33 1b3u h GLN 579 Ca -0.00 -0.06 0.30 0.00 -0.15 0.00 0.00 58.65 58.74 1b3u h GLN 579 Cb 0.36 -0.09 -0.11 0.00 1.07 0.00 0.00 27.48 28.72 1b3u h GLN 579 CO 0.00 0.41 0.69 1.49 -2.65 0.00 0.00 178.83 178.78 1b3u h GLU 580 N 0.39 0.33 0.32 1.69 4.22 -0.67 -0.68 114.58 120.17 1b3u h GLU 580 Ca 0.11 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.52 1b3u h GLU 580 Cb 0.09 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1b3u h GLU 580 CO -0.02 0.22 -0.15 0.00 -2.18 0.00 0.00 179.01 176.88 1b3u h ALA 581 N 1.64 -0.42 -1.03 2.92 0.00 -1.00 -2.68 119.26 118.67 1b3u h ALA 581 Ca 0.65 -0.19 0.29 0.00 0.00 0.00 0.00 54.91 55.66 1b3u h ALA 581 Cb 1.71 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 19.54 1b3u h ALA 581 CO -0.35 -0.51 0.62 -0.07 0.00 0.00 0.00 179.25 178.94 1b3u h LEU 582 N -0.88 0.55 0.36 0.00 3.38 -0.89 0.10 115.31 117.92 1b3u h LEU 582 Ca -0.04 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1b3u h LEU 582 Cb 0.52 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1b3u h LEU 582 CO 0.07 -0.00 -0.17 0.74 0.09 0.00 0.00 178.44 179.17 1b3u h THR 583 N 0.42 0.00 -0.33 0.22 2.02 -1.33 0.87 112.91 114.78 1b3u h THR 583 Ca 0.68 -0.20 0.09 0.00 0.77 0.00 0.00 66.41 67.76 1b3u h THR 583 Cb 1.54 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1b3u h THR 583 CO -0.48 0.00 0.32 0.58 0.37 0.00 0.00 175.52 176.31 1b3u h VAL 584 N -0.67 0.48 0.00 3.16 2.07 -1.07 0.52 116.25 120.74 1b3u h VAL 584 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1b3u h VAL 584 Cb 0.37 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1b3u h VAL 584 CO 0.08 0.00 -0.34 0.18 0.02 0.00 0.00 177.57 177.51 1b3u n LEU 585 N -3.87 0.48 -3.54 2.57 4.32 0.31 -4.93 117.00 112.33 1b3u n LEU 585 Ca 0.05 0.27 -0.23 0.00 -0.02 0.00 0.00 56.01 56.08 1b3u n LEU 585 Cb 0.48 -0.30 0.08 0.00 -1.62 0.00 0.00 43.42 42.06 1b3u n LEU 585 CO 0.29 -0.00 0.23 -1.20 -1.22 0.00 0.00 177.39 175.49 1b3u n SER 586 N -1.79 -5.88 -0.00 -1.43 7.64 0.18 -4.88 113.62 107.46 1b3u n SER 586 Ca 0.05 -0.54 0.07 0.00 1.01 0.00 0.00 58.87 59.46 1b3u n SER 586 Cb 0.38 -4.99 -0.10 0.00 -1.01 0.00 0.00 64.21 58.49 1b3u n SER 586 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1b3u n LEU 587 N -4.86 0.23 0.00 -3.43 4.77 0.22 -5.04 117.00 108.88 1b3u n LEU 587 Ca -0.02 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1b3u n LEU 587 Cb 0.57 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.68 1b3u n LEU 587 CO 0.64 0.06 0.27 0.00 -1.33 0.00 0.00 177.39 177.02