#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuf n SER 2 N 0.00 6.29 -2.50 1.61 7.64 -1.26 -4.84 113.62 120.56 2yuf n SER 2 Ca 0.00 -3.70 -0.21 0.00 1.01 0.00 0.00 58.87 55.97 2yuf n SER 2 Cb 0.00 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 2yuf n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yuf n SER 3 N -0.96 -5.90 0.00 6.43 7.64 -1.26 -4.91 113.62 114.66 2yuf n SER 3 Ca 0.61 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.40 2yuf n SER 3 Cb 1.01 -4.86 0.00 0.00 -1.01 0.00 0.00 64.21 59.35 2yuf n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuf n GLY 4 N -1.16 4.76 3.18 0.23 0.00 -1.26 -5.19 105.19 105.76 2yuf n GLY 4 Ca -0.21 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 2yuf n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yuf s SER 5 N 1.36 1.23 0.32 1.61 0.15 -1.26 -5.02 113.70 112.09 2yuf s SER 5 Ca 0.00 -1.01 0.00 0.00 0.70 0.00 0.00 55.95 55.64 2yuf s SER 5 Cb 0.00 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 2yuf s SER 5 CO 0.00 -0.45 0.00 -1.20 1.20 0.00 0.00 173.24 172.79 2yuf n SER 6 N -0.07 -2.59 -2.30 5.45 7.64 -1.26 -5.08 113.62 115.41 2yuf n SER 6 Ca -0.12 0.60 -0.03 0.00 1.01 0.00 0.00 58.87 60.33 2yuf n SER 6 Cb 0.61 2.56 -0.03 0.00 -1.01 0.00 0.00 64.21 66.34 2yuf n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuf n GLY 7 N -1.05 -5.05 2.70 0.23 0.00 -1.26 -5.09 105.19 95.67 2yuf n GLY 7 Ca 0.00 0.96 -0.21 0.00 0.00 0.00 0.00 46.02 46.77 2yuf n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yuf n GLU 8 N 1.44 0.69 -1.39 1.61 1.02 -1.26 -4.98 120.64 117.77 2yuf n GLU 8 Ca -0.24 -2.77 -0.18 0.00 -0.02 0.00 0.00 57.16 53.95 2yuf n GLU 8 Cb 0.37 1.42 0.12 0.00 -0.02 0.00 0.00 31.44 33.33 2yuf n GLU 8 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yuf n ALA 9 N -1.48 -0.70 -0.38 0.62 0.00 -1.26 -5.01 120.51 112.29 2yuf n ALA 9 Ca -0.13 -1.15 -0.16 0.00 0.00 0.00 0.00 53.44 51.99 2yuf n ALA 9 Cb 0.49 0.01 0.27 0.00 0.00 0.00 0.00 19.45 20.22 2yuf n ALA 9 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2yuf n LEU 10 N 0.00 0.00 -4.98 0.00 4.77 -1.26 -5.04 117.00 110.49 2yuf n LEU 10 Ca 0.11 -0.83 -0.24 0.00 -0.03 0.00 0.00 56.01 55.01 2yuf n LEU 10 Cb 0.37 -0.91 0.12 0.00 -2.33 0.00 0.00 43.42 40.67 2yuf n LEU 10 CO 0.27 -2.67 0.59 -1.81 -1.33 0.00 0.00 177.39 172.44 2yuf s ASP 11 N -3.14 4.18 0.16 -1.43 1.01 -1.26 -4.93 116.67 111.25 2yuf s ASP 11 Ca 0.62 -0.29 0.07 0.00 0.71 0.00 0.00 52.55 53.66 2yuf s ASP 11 Cb -0.10 -0.05 -0.05 0.00 1.01 0.00 0.00 42.92 43.73 2yuf s ASP 11 CO 0.51 -1.98 1.37 0.00 0.21 0.00 0.00 175.17 175.28 2yuf h ALA 12 N -0.68 0.51 0.13 5.23 0.00 -1.99 -2.61 119.26 119.85 2yuf h ALA 12 Ca -0.37 -0.80 -0.21 0.00 0.00 0.00 0.00 54.91 53.52 2yuf h ALA 12 Cb 1.26 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.94 2yuf h ALA 12 CO 0.40 1.08 -1.00 0.00 0.00 0.00 0.00 179.25 179.72 2yuf h ALA 13 N 1.07 0.01 -0.14 0.00 0.00 -2.00 -3.12 119.26 115.08 2yuf h ALA 13 Ca -0.02 -0.83 -0.01 0.00 0.00 0.00 0.00 54.91 54.05 2yuf h ALA 13 Cb 1.58 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 2yuf h ALA 13 CO 0.12 0.52 0.07 0.00 0.00 0.00 0.00 179.25 179.96 2yuf h ALA 14 N 0.02 0.18 -0.26 0.00 0.00 -1.96 -2.61 119.26 114.62 2yuf h ALA 14 Ca -0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2yuf h ALA 14 Cb 1.66 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 2yuf h ALA 14 CO 0.11 -0.26 0.17 0.00 0.00 0.00 0.00 179.25 179.26 2yuf h ALA 15 N 0.94 1.80 -0.94 0.00 0.00 -1.62 -1.95 119.26 117.49 2yuf h ALA 15 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2yuf h ALA 15 Cb 0.12 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2yuf h ALA 15 CO -0.01 0.18 0.60 -0.07 0.00 0.00 0.00 179.25 179.96 2yuf h LEU 16 N 0.36 1.10 -0.86 0.00 3.38 -1.40 -0.91 115.31 116.98 2yuf h LEU 16 Ca 0.10 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2yuf h LEU 16 Cb -0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2yuf h LEU 16 CO -0.02 0.81 -0.54 -1.28 0.09 0.00 0.00 178.44 177.50 2yuf h SER 17 N 1.28 0.10 0.28 -0.43 0.87 -1.24 -2.32 113.55 112.09 2yuf h SER 17 Ca 0.34 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 2yuf h SER 17 Cb -0.11 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 2yuf h SER 17 CO -0.07 0.62 -0.13 0.58 -0.53 0.00 0.00 176.83 177.30 2yuf h VAL 18 N 0.07 0.58 -0.10 2.23 2.07 -1.10 -0.82 116.25 119.18 2yuf h VAL 18 Ca -0.00 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.71 2yuf h VAL 18 Cb 0.98 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2yuf h VAL 18 CO 0.08 0.13 0.07 0.00 0.02 0.00 0.00 177.57 177.87 2yuf h ALA 19 N -0.51 2.07 0.07 1.67 0.00 -1.25 0.86 119.26 122.17 2yuf h ALA 19 Ca -0.04 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.60 2yuf h ALA 19 Cb 0.51 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.31 2yuf h ALA 19 CO 0.06 -0.09 -1.13 0.93 0.00 0.00 0.00 179.25 179.02 2yuf h GLU 20 N 0.02 0.49 -0.09 0.00 4.39 -1.42 -3.08 114.58 114.89 2yuf h GLU 20 Ca 0.05 -0.63 -0.07 0.00 0.34 0.00 0.00 59.36 59.04 2yuf h GLU 20 Cb 0.16 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2yuf h GLU 20 CO -0.00 1.25 -0.24 0.00 -1.16 0.00 0.00 179.01 178.87 2yuf h VAL 22 N -0.14 0.90 0.00 0.00 3.04 -0.98 0.20 116.25 119.27 2yuf h VAL 22 Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2yuf h VAL 22 Cb 0.84 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 2yuf h VAL 22 CO 0.05 0.00 -0.50 -0.62 -1.01 0.00 0.00 177.57 175.49 2yuf n GLU 23 N -4.47 0.24 -0.04 4.17 -0.58 -1.16 -2.56 120.64 116.24 2yuf n GLU 23 Ca 0.01 0.09 -0.05 0.00 -0.42 0.00 0.00 57.16 56.79 2yuf n GLU 23 Cb 0.27 -1.67 -0.14 0.00 -0.57 0.00 0.00 31.44 29.33 2yuf n GLU 23 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2yuf n ARG 24 N -2.03 0.66 -0.00 3.49 5.12 0.18 -4.15 116.66 119.92 2yuf n ARG 24 Ca 0.04 0.09 -0.09 0.00 -1.93 0.00 0.00 57.85 55.96 2yuf n ARG 24 Cb 0.42 -1.64 -0.14 0.00 -1.16 0.00 0.00 32.46 29.94 2yuf n ARG 24 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2yuf h MET 25 N 0.00 0.02 0.33 5.56 -0.00 -0.83 -3.34 114.93 116.66 2yuf h MET 25 Ca -0.35 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.70 59.30 2yuf h MET 25 Cb 1.92 0.01 0.00 0.00 -0.00 0.00 0.00 31.60 33.54 2yuf h MET 25 CO 0.04 0.63 -0.16 0.00 -0.00 0.00 0.00 176.91 177.43 2yuf h ALA 26 N 0.93 -0.44 -0.46 -3.00 0.00 -1.69 0.30 119.26 114.91 2yuf h ALA 26 Ca -0.25 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.64 2yuf h ALA 26 Cb 1.98 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 19.87 2yuf h ALA 26 CO 0.09 -0.74 0.09 -1.35 0.00 0.00 0.00 179.25 177.34 2yuf h PRO 27 N -0.45 0.22 -0.11 0.00 0.11 -1.74 -1.91 132.00 128.12 2yuf h PRO 27 Ca -0.04 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.91 2yuf h PRO 27 Cb 0.34 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 2yuf h PRO 27 CO 0.07 0.14 -0.54 0.00 -0.21 0.00 0.00 178.00 177.47 2yuf h THR 28 N 0.22 1.35 -3.09 -1.15 1.03 -1.66 -3.44 112.91 106.18 2yuf h THR 28 Ca 0.23 -1.81 -0.53 0.00 -0.01 0.00 0.00 66.41 64.29 2yuf h THR 28 Cb 0.29 1.86 0.06 0.00 -1.07 0.00 0.00 68.15 69.30 2yuf h THR 28 CO -0.30 0.54 0.89 -0.76 -0.01 0.00 0.00 175.52 175.88 2yuf s LEU 29 N -8.10 4.36 0.00 0.00 1.43 0.11 -4.98 118.68 111.50 2yuf s LEU 29 Ca -0.05 2.80 -0.14 0.00 -1.03 0.00 0.00 54.13 55.71 2yuf s LEU 29 Cb 0.12 -3.62 0.22 0.00 0.03 0.00 0.00 46.19 42.95 2yuf s LEU 29 CO 0.80 -0.86 0.50 -2.65 0.23 0.00 0.00 176.35 174.37 2yuf n PRO 30 N 2.99 -2.37 -4.47 1.29 -0.02 -1.26 -4.92 135.00 126.25 2yuf n PRO 30 Ca 0.11 -0.84 -0.25 0.00 -2.02 0.00 0.00 63.50 60.50 2yuf n PRO 30 Cb 0.38 -1.38 -0.10 0.00 -0.02 0.00 0.00 33.50 32.38 2yuf n PRO 30 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2yuf s LYS 31 N -3.77 1.83 -0.01 -0.52 1.02 -1.26 -5.05 119.74 111.99 2yuf s LYS 31 Ca 0.39 -1.80 0.06 0.00 0.02 0.00 0.00 55.97 54.63 2yuf s LYS 31 Cb -0.07 -1.80 -0.02 0.00 -0.52 0.00 0.00 37.83 35.43 2yuf s LYS 31 CO 0.32 0.24 -0.19 -1.12 -0.92 0.00 0.00 175.35 173.67 2yuf s SER 32 N -3.59 2.29 -0.32 2.83 0.01 -1.26 -5.08 113.70 108.57 2yuf s SER 32 Ca 0.32 -0.37 -0.28 0.00 1.31 0.00 0.00 55.95 56.93 2yuf s SER 32 Cb -0.02 -0.25 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 2yuf s SER 32 CO 0.17 0.23 1.98 -1.81 0.41 0.00 0.00 173.24 174.21 2yuf s ASP 33 N -0.54 5.62 0.37 2.44 1.11 -1.26 -4.84 116.67 119.57 2yuf s ASP 33 Ca 0.07 1.42 0.11 0.00 0.18 0.00 0.00 52.55 54.33 2yuf s ASP 33 Cb -0.08 -2.52 0.71 0.00 1.07 0.00 0.00 42.92 42.11 2yuf s ASP 33 CO -0.00 -1.90 1.84 -0.07 1.18 0.00 0.00 175.17 176.21 2yuf h LEU 34 N 14.66 0.09 -1.90 1.23 3.38 -2.00 -2.55 115.31 128.23 2yuf h LEU 34 Ca -0.35 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 2yuf h LEU 34 Cb 1.20 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2yuf h LEU 34 CO 1.03 0.41 0.05 -1.13 0.09 0.00 0.00 178.44 178.88 2yuf h ASN 35 N 0.09 0.10 0.36 -0.43 -0.73 -1.99 0.15 115.58 113.13 2yuf h ASN 35 Ca 0.01 -0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.16 2yuf h ASN 35 Cb 0.59 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.16 2yuf h ASN 35 CO 0.04 0.08 -0.17 -0.08 -0.37 0.00 0.00 177.43 176.93 2yuf h GLU 36 N 0.12 -0.46 -0.03 6.67 4.81 -1.85 -2.85 114.58 120.98 2yuf h GLU 36 Ca 0.03 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2yuf h GLU 36 Cb 0.00 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 2yuf h GLU 36 CO -0.01 -0.31 0.03 -0.39 -0.73 0.00 0.00 179.01 177.60 2yuf h VAL 37 N -0.97 0.90 0.05 0.32 -1.51 -1.53 -2.48 116.25 111.02 2yuf h VAL 37 Ca -0.05 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.42 2yuf h VAL 37 Cb 0.37 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 2yuf h VAL 37 CO 0.08 0.00 -0.02 0.11 -1.23 0.00 0.00 177.57 176.51 2yuf h LYS 38 N 0.00 -0.06 -0.14 5.19 1.57 -0.74 -2.66 116.57 119.73 2yuf h LYS 38 Ca 0.02 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2yuf h LYS 38 Cb 0.07 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2yuf h LYS 38 CO -0.00 0.11 0.09 1.49 -0.57 0.00 0.00 179.45 180.58 2yuf h GLU 39 N -0.22 0.15 -0.28 3.15 4.81 -1.20 -1.19 114.58 119.80 2yuf h GLU 39 Ca -0.01 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 2yuf h GLU 39 Cb 0.20 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2yuf h GLU 39 CO 0.01 0.10 -0.04 1.25 -0.73 0.00 0.00 179.01 179.60 2yuf h LEU 40 N 0.16 0.41 -0.10 1.64 6.46 -1.25 -2.56 115.31 120.08 2yuf h LEU 40 Ca 0.05 -0.08 -0.13 0.00 -0.12 0.00 0.00 57.88 57.60 2yuf h LEU 40 Cb 0.03 -0.11 0.01 0.00 -0.73 0.00 0.00 40.66 39.86 2yuf h LEU 40 CO -0.01 0.51 -0.46 -0.07 -0.62 0.00 0.00 178.44 177.79 2yuf h LEU 41 N 0.42 0.57 -2.03 2.25 3.38 -1.01 0.01 115.31 118.90 2yuf h LEU 41 Ca 0.09 -0.64 0.04 0.00 0.09 0.00 0.00 57.88 57.46 2yuf h LEU 41 Cb 0.35 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2yuf h LEU 41 CO 0.01 1.12 0.10 0.11 0.09 0.00 0.00 178.44 179.88 2yuf h LYS 42 N 0.06 0.00 0.02 1.13 6.56 -1.28 -1.89 116.57 121.17 2yuf h LYS 42 Ca -0.03 0.00 -0.30 0.00 -1.06 0.00 0.00 60.65 59.26 2yuf h LYS 42 Cb 1.10 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.72 2yuf h LYS 42 CO 0.10 0.00 -1.76 0.25 -2.06 0.00 0.00 179.45 175.98 2yuf n THR 43 N -4.44 1.63 -3.48 -0.16 -2.24 -0.98 -4.72 114.28 99.89 2yuf n THR 43 Ca 0.00 -0.78 -0.42 0.00 -2.27 0.00 0.00 64.05 60.58 2yuf n THR 43 Cb 0.23 -1.13 -0.08 0.00 -2.10 0.00 0.00 70.33 67.25 2yuf n THR 43 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2yuf s ASN 44 N -6.22 5.87 0.38 3.42 3.04 -0.02 -4.92 114.94 116.49 2yuf s ASN 44 Ca -0.07 -1.76 0.11 0.00 0.04 0.00 0.00 52.86 51.17 2yuf s ASN 44 Cb 0.08 -2.08 0.75 0.00 -1.54 0.00 0.00 41.25 38.46 2yuf s ASN 44 CO 0.82 -0.71 1.87 0.11 -3.04 0.00 0.00 177.10 176.14 2yuf h LYS 45 N 8.59 0.11 0.73 0.43 6.56 -1.85 -0.74 116.57 130.41 2yuf h LYS 45 Ca -0.24 -0.03 -0.04 0.00 -1.06 0.00 0.00 60.65 59.28 2yuf h LYS 45 Cb 1.09 -0.01 0.01 0.00 -0.57 0.00 0.00 32.23 32.74 2yuf h LYS 45 CO 0.90 0.37 -0.35 -0.22 -2.06 0.00 0.00 179.45 178.09 2yuf h LYS 46 N 0.10 -0.95 -0.66 3.15 3.11 -1.91 -1.87 116.57 117.54 2yuf h LYS 46 Ca 0.01 0.06 -0.06 0.00 -2.81 0.00 0.00 60.65 57.86 2yuf h LYS 46 Cb 0.53 0.22 -0.03 0.00 -1.00 0.00 0.00 32.23 31.95 2yuf h LYS 46 CO 0.04 -0.61 0.19 -0.07 -2.81 0.00 0.00 179.45 176.19 2yuf h LEU 47 N -1.17 0.95 -1.87 5.20 3.38 -1.90 -1.64 115.31 118.26 2yuf h LEU 47 Ca -0.10 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.71 2yuf h LEU 47 Cb 0.78 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2yuf h LEU 47 CO 0.17 0.90 0.13 0.00 0.09 0.00 0.00 178.44 179.72 2yuf h ALA 48 N 1.23 1.96 0.00 1.53 0.00 -1.12 -0.41 119.26 122.45 2yuf h ALA 48 Ca 0.21 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.87 2yuf h ALA 48 Cb 0.30 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2yuf h ALA 48 CO -0.01 0.02 -1.29 -0.22 0.00 0.00 0.00 179.25 177.75 2yuf h LYS 49 N 0.18 0.00 0.12 0.00 3.64 -0.79 -1.80 116.57 117.91 2yuf h LYS 49 Ca 0.08 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2yuf h LYS 49 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2yuf h LYS 49 CO -0.01 0.79 -0.06 1.98 -2.27 0.00 0.00 179.45 179.88 2yuf h MET 50 N 0.00 -0.15 -0.93 1.90 4.05 -0.37 -3.42 114.93 116.02 2yuf h MET 50 Ca -0.12 0.01 -0.43 0.00 -0.28 0.00 0.00 59.70 58.87 2yuf h MET 50 Cb 1.87 0.03 -0.41 0.00 -0.80 0.00 0.00 31.60 32.29 2yuf h MET 50 CO 0.11 -0.10 -0.97 0.44 0.23 0.00 0.00 176.91 176.62 2yuf n ILE 51 N -2.99 1.78 -0.04 1.77 -5.35 -0.25 -4.78 119.36 109.49 2yuf n ILE 51 Ca -0.02 -3.77 -0.02 0.00 -0.27 0.00 0.00 62.75 58.66 2yuf n ILE 51 Cb 0.06 -0.09 -0.08 0.00 -1.74 0.00 0.00 39.64 37.78 2yuf n ILE 51 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2yuf n GLY 52 N -0.46 -0.52 0.16 3.28 0.00 -0.69 -4.50 105.19 102.46 2yuf n GLY 52 Ca 0.24 -0.20 0.01 0.00 0.00 0.00 0.00 46.02 46.07 2yuf n GLY 52 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2yuf h HIS 53 N 0.00 0.00 -0.03 1.61 2.07 -1.82 -2.94 115.15 114.04 2yuf h HIS 53 Ca -0.20 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.21 2yuf h HIS 53 Cb 1.32 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.29 2yuf h HIS 53 CO 0.00 0.50 -0.47 0.82 -3.07 0.00 0.00 177.93 175.71 2yuf h ILE 54 N 0.00 1.34 -0.63 6.12 2.04 -1.91 -2.53 117.51 121.94 2yuf h ILE 54 Ca -0.01 -1.64 -0.03 0.00 1.00 0.00 0.00 64.86 64.18 2yuf h ILE 54 Cb 0.94 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.84 2yuf h ILE 54 CO 0.07 0.47 0.27 -0.26 0.00 0.00 0.00 178.15 178.71 2yuf h PHE 55 N 0.05 0.94 -0.00 1.37 0.04 -1.74 -2.68 116.94 114.91 2yuf h PHE 55 Ca -0.00 -0.06 -0.15 0.00 2.80 0.00 0.00 57.97 60.56 2yuf h PHE 55 Cb 0.86 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.71 2yuf h PHE 55 CO 0.00 0.73 -0.70 0.93 -0.60 0.00 0.00 178.31 178.67 2yuf h GLU 56 N 0.88 0.03 -6.53 1.51 4.39 -1.59 -3.44 114.58 109.81 2yuf h GLU 56 Ca 0.21 -0.02 -0.54 0.00 0.34 0.00 0.00 59.36 59.35 2yuf h GLU 56 Cb 0.17 0.01 0.05 0.00 -0.10 0.00 0.00 28.75 28.87 2yuf h GLU 56 CO -0.02 0.71 1.03 -0.12 -1.16 0.00 0.00 179.01 179.45 2yuf n MET 57 N -3.72 2.63 -1.76 2.33 1.56 -0.96 -4.95 117.12 112.25 2yuf n MET 57 Ca -0.01 0.96 -0.34 0.00 -0.27 0.00 0.00 57.70 58.03 2yuf n MET 57 Cb 0.68 -2.81 0.05 0.00 2.15 0.00 0.00 33.22 33.29 2yuf n MET 57 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 2yuf s ASN 58 N 2.07 4.95 0.52 6.12 2.47 -1.26 -4.91 114.94 124.90 2yuf s ASN 58 Ca 0.80 2.15 0.24 0.00 0.42 0.00 0.00 52.86 56.48 2yuf s ASN 58 Cb -0.54 -2.57 1.43 0.00 -1.45 0.00 0.00 41.25 38.12 2yuf s ASN 58 CO 0.37 -1.74 2.11 -0.78 -3.72 0.00 0.00 177.10 173.33 2yuf h ASP 59 N 0.18 0.00 -0.92 -4.21 1.82 -1.95 -3.03 116.42 108.31 2yuf h ASP 59 Ca -0.48 0.00 -0.50 0.00 -0.39 0.00 0.00 57.03 55.66 2yuf h ASP 59 Cb 1.27 0.00 -0.15 0.00 0.68 0.00 0.00 39.33 41.13 2yuf h ASP 59 CO 0.53 0.10 0.69 -0.67 -1.61 0.00 0.00 179.24 178.28 2yuf n ASP 60 N -3.92 6.61 -3.65 2.28 2.03 -1.26 -4.77 116.55 113.88 2yuf n ASP 60 Ca -0.02 -3.09 -0.29 0.00 0.52 0.00 0.00 54.79 51.90 2yuf n ASP 60 Cb 0.19 -1.28 -0.15 0.00 -0.72 0.00 0.00 41.12 39.16 2yuf n ASP 60 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2yuf s ASP 61 N 0.61 3.78 0.61 1.67 2.15 -1.15 -4.99 116.67 119.35 2yuf s ASP 61 Ca 0.59 -1.58 0.28 0.00 0.43 0.00 0.00 52.55 52.27 2yuf s ASP 61 Cb 0.34 -0.66 1.39 0.00 -0.30 0.00 0.00 42.92 43.69 2yuf s ASP 61 CO -0.17 -0.41 1.80 -0.65 -0.17 0.00 0.00 175.17 175.57 2yuf h PRO 62 N 8.09 0.00 0.00 4.34 0.11 -1.91 0.34 132.00 142.97 2yuf h PRO 62 Ca -0.14 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.90 2yuf h PRO 62 Cb 1.01 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 2yuf h PRO 62 CO 0.45 0.00 -0.33 0.45 -0.21 0.00 0.00 178.00 178.35 2yuf h HIS 63 N 0.00 0.00 -0.80 0.65 3.86 -1.97 -2.96 115.15 113.94 2yuf h HIS 63 Ca 0.18 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.51 2yuf h HIS 63 Cb 1.28 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.69 2yuf h HIS 63 CO 0.00 0.33 0.52 -0.22 0.86 0.00 0.00 177.93 179.43 2yuf h LYS 64 N 0.00 0.62 -0.02 2.45 3.64 -0.67 0.57 116.57 123.16 2yuf h LYS 64 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2yuf h LYS 64 Cb 0.70 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2yuf h LYS 64 CO 0.04 0.41 0.01 0.93 -2.27 0.00 0.00 179.45 178.58 2yuf h GLU 65 N 0.64 0.02 0.10 1.90 4.39 -1.67 0.11 114.58 120.06 2yuf h GLU 65 Ca 0.38 -0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.81 2yuf h GLU 65 Cb 0.60 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.26 2yuf h GLU 65 CO -0.15 0.01 -1.17 0.93 -1.16 0.00 0.00 179.01 177.48 2yuf h GLU 66 N 0.02 0.37 -0.04 2.33 5.08 -1.06 -2.16 114.58 119.13 2yuf h GLU 66 Ca 0.01 -0.53 -0.05 0.00 -1.00 0.00 0.00 59.36 57.78 2yuf h GLU 66 Cb 0.01 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2yuf h GLU 66 CO -0.00 1.22 -0.18 0.93 -1.00 0.00 0.00 179.01 179.98 2yuf h GLU 67 N 0.15 0.19 -0.42 2.33 4.39 -1.00 -0.88 114.58 119.34 2yuf h GLU 67 Ca -0.13 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.35 2yuf h GLU 67 Cb 1.86 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.53 2yuf h GLU 67 CO 0.20 0.80 0.01 0.82 -1.16 0.00 0.00 179.01 179.68 2yuf h ILE 68 N -0.37 1.26 -0.41 3.13 2.04 -0.95 -2.41 117.51 119.80 2yuf h ILE 68 Ca -0.01 -1.01 -0.12 0.00 1.00 0.00 0.00 64.86 64.72 2yuf h ILE 68 Cb 0.83 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 2yuf h ILE 68 CO 0.04 0.34 -0.21 0.03 0.00 0.00 0.00 178.15 178.35 2yuf h ARG 69 N 0.57 0.87 -0.87 2.37 3.08 -1.47 0.81 114.38 119.74 2yuf h ARG 69 Ca 0.12 -0.38 0.03 0.00 0.07 0.00 0.00 59.98 59.81 2yuf h ARG 69 Cb 0.47 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.45 2yuf h ARG 69 CO 0.02 1.03 0.57 -0.22 -1.07 0.00 0.00 179.97 180.30 2yuf h LYS 70 N 0.69 1.09 0.02 0.04 3.64 -1.09 -2.71 116.57 118.25 2yuf h LYS 70 Ca 0.09 -0.07 -0.29 0.00 -1.27 0.00 0.00 60.65 59.11 2yuf h LYS 70 Cb 0.77 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 2yuf h LYS 70 CO 0.06 0.72 -1.65 1.88 -2.27 0.00 0.00 179.45 178.19 2yuf h TYR 71 N 1.12 0.09 -1.12 1.91 0.05 -1.31 -3.44 116.97 114.26 2yuf h TYR 71 Ca 0.34 -0.06 -0.30 0.00 0.05 0.00 0.00 58.73 58.75 2yuf h TYR 71 Cb -0.04 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 2yuf h TYR 71 CO -0.00 1.12 0.90 -1.12 -1.05 0.00 0.00 178.16 178.01 2yuf s SER 72 N -6.33 4.62 -0.27 3.88 0.01 0.28 -4.86 113.70 111.04 2yuf s SER 72 Ca -0.06 0.21 -0.14 0.00 1.31 0.00 0.00 55.95 57.27 2yuf s SER 72 Cb 0.08 -2.53 0.08 0.00 0.21 0.00 0.00 66.02 63.86 2yuf s SER 72 CO 0.82 -3.03 0.64 0.00 0.41 0.00 0.00 173.24 172.08 2yuf s ALA 73 N 11.79 -1.77 -0.01 1.44 0.00 -1.26 -3.82 121.76 128.14 2yuf s ALA 73 Ca 0.83 2.27 0.00 0.00 0.00 0.00 0.00 51.96 55.06 2yuf s ALA 73 Cb -0.12 -1.41 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 2yuf s ALA 73 CO 0.13 -0.45 -0.00 -0.89 0.00 0.00 0.00 175.76 174.55 2yuf n ILE 74 N 4.50 0.05 -0.11 0.00 5.41 -1.26 -4.83 119.36 123.11 2yuf n ILE 74 Ca -0.19 -0.02 -0.24 0.00 1.00 0.00 0.00 62.75 63.30 2yuf n ILE 74 Cb 0.57 -0.64 -0.11 0.00 -0.71 0.00 0.00 39.64 38.74 2yuf n ILE 74 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2yuf n TYR 75 N -2.40 0.30 0.00 1.39 4.02 -1.26 -4.98 117.16 114.23 2yuf n TYR 75 Ca -0.01 0.09 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 2yuf n TYR 75 Cb 0.52 -1.03 0.00 0.00 -0.02 0.00 0.00 39.34 38.80 2yuf n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2yuf n GLY 76 N 1.73 -1.89 1.35 2.72 0.00 -1.26 -5.15 105.19 102.69 2yuf n GLY 76 Ca -0.46 1.03 0.16 0.00 0.00 0.00 0.00 46.02 46.75 2yuf n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2yuf n ARG 77 N 0.00 -2.82 0.09 1.61 3.00 -1.26 -4.62 116.66 112.67 2yuf n ARG 77 Ca 0.00 2.14 -0.22 0.00 -0.00 0.00 0.00 57.85 59.76 2yuf n ARG 77 Cb 0.00 -3.42 -0.14 0.00 0.00 0.00 0.00 32.46 28.90 2yuf n ARG 77 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2yuf h PHE 78 N -1.37 0.91 -2.03 -0.14 -0.00 -1.75 -3.44 116.94 109.11 2yuf h PHE 78 Ca -0.09 -0.60 -0.61 0.00 -0.00 0.00 0.00 57.97 56.67 2yuf h PHE 78 Cb 1.33 -0.06 -0.13 0.00 -0.00 0.00 0.00 35.95 37.09 2yuf h PHE 78 CO 0.01 1.45 -0.69 0.34 -0.00 0.00 0.00 178.31 179.43 2yuf s ASP 79 N -7.35 3.83 0.47 -0.68 2.15 -1.26 -4.89 116.67 108.93 2yuf s ASP 79 Ca -0.10 -1.07 -0.24 0.00 0.43 0.00 0.00 52.55 51.56 2yuf s ASP 79 Cb 0.04 -0.40 -0.07 0.00 -0.30 0.00 0.00 42.92 42.19 2yuf s ASP 79 CO 0.91 -0.13 1.32 -0.55 -0.17 0.00 0.00 175.17 176.55 2yuf s SER 80 N -3.61 5.89 -0.17 -0.34 0.15 -1.26 -5.03 113.70 109.33 2yuf s SER 80 Ca 0.32 2.67 -0.07 0.00 0.70 0.00 0.00 55.95 59.57 2yuf s SER 80 Cb -0.01 -2.63 0.07 0.00 -1.71 0.00 0.00 66.02 61.74 2yuf s SER 80 CO 0.17 -1.14 0.38 -0.54 1.20 0.00 0.00 173.24 173.31 2yuf s LYS 81 N -2.57 0.31 -0.24 5.44 1.02 -1.26 -5.03 119.74 117.41 2yuf s LYS 81 Ca 0.63 0.88 -0.06 0.00 0.02 0.00 0.00 55.97 57.44 2yuf s LYS 81 Cb -0.38 0.13 0.02 0.00 -0.52 0.00 0.00 37.83 37.09 2yuf s LYS 81 CO 0.47 -0.22 0.12 0.54 -0.92 0.00 0.00 175.35 175.34 2yuf n ARG 82 N 4.96 -3.92 -2.47 1.68 5.12 -1.26 -4.94 116.66 115.83 2yuf n ARG 82 Ca -0.14 3.04 -0.39 0.00 -1.93 0.00 0.00 57.85 58.43 2yuf n ARG 82 Cb 0.51 -5.08 -0.04 0.00 -1.16 0.00 0.00 32.46 26.69 2yuf n ARG 82 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2yuf s LYS 83 N -1.13 4.50 0.00 5.56 1.02 -1.26 -4.92 119.74 123.51 2yuf s LYS 83 Ca -0.14 1.76 0.00 0.00 0.02 0.00 0.00 55.97 57.61 2yuf s LYS 83 Cb 0.01 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 2yuf s LYS 83 CO 0.76 0.10 0.00 -0.25 -0.92 0.00 0.00 175.35 175.04 2yuf n ASP 84 N 0.86 0.12 0.00 2.83 8.00 -1.26 -5.07 116.55 122.03 2yuf n ASP 84 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2yuf n ASP 84 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 2yuf n ASP 84 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2yuf n GLY 85 N 1.88 0.51 3.09 0.44 0.00 -1.26 -5.15 105.19 104.70 2yuf n GLY 85 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 2yuf n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yuf s LYS 86 N 0.00 0.49 0.19 1.61 -0.14 -1.26 -5.05 119.74 115.58 2yuf s LYS 86 Ca 0.00 -0.53 0.00 0.00 -1.36 0.00 0.00 55.97 54.08 2yuf s LYS 86 Cb 0.00 0.20 0.00 0.00 -1.68 0.00 0.00 37.83 36.35 2yuf s LYS 86 CO 0.00 -0.11 0.00 1.58 -0.76 0.00 0.00 175.35 176.06 2yuf n HIS 87 N 1.28 -3.04 -4.13 3.18 -0.00 -1.26 -5.12 115.22 106.14 2yuf n HIS 87 Ca -0.22 0.65 -0.09 0.00 0.46 0.00 0.00 57.72 58.53 2yuf n HIS 87 Cb 0.56 1.85 -0.10 0.00 -0.12 0.00 0.00 29.99 32.18 2yuf n HIS 87 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2yuf s LEU 88 N -5.69 2.38 0.07 0.27 1.43 -1.26 -5.01 118.68 110.87 2yuf s LEU 88 Ca 0.00 -1.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.06 2yuf s LEU 88 Cb 0.00 0.13 0.00 0.00 0.03 0.00 0.00 46.19 46.35 2yuf s LEU 88 CO 0.00 -0.58 0.00 1.07 0.23 0.00 0.00 176.35 177.07 2yuf n THR 89 N 0.02 0.14 0.06 5.49 5.66 -1.26 -5.00 114.28 119.39 2yuf n THR 89 Ca -0.12 0.05 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 2yuf n THR 89 Cb 0.61 -0.86 0.00 0.00 -1.55 0.00 0.00 70.33 68.53 2yuf n THR 89 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2yuf n LEU 90 N -2.94 -1.02 0.20 1.09 7.94 -1.26 -4.91 117.00 116.10 2yuf n LEU 90 Ca 0.00 0.30 0.06 0.00 -1.11 0.00 0.00 56.01 55.26 2yuf n LEU 90 Cb 0.12 1.20 0.56 0.00 0.53 0.00 0.00 43.42 45.83 2yuf n LEU 90 CO 0.00 -0.10 1.03 -0.74 -1.11 0.00 0.00 177.39 176.47 2yuf h HIS 91 N 0.00 0.09 0.00 1.96 2.76 -1.99 -0.85 115.15 117.12 2yuf h HIS 91 Ca 0.00 -0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.01 2yuf h HIS 91 Cb 0.00 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 2yuf h HIS 91 CO 0.00 0.12 -0.76 0.93 -1.30 0.00 0.00 177.93 176.92 2yuf h GLU 92 N 0.10 0.00 0.09 5.26 5.08 -1.96 -3.17 114.58 119.98 2yuf h GLU 92 Ca 0.02 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.09 2yuf h GLU 92 Cb 0.10 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.38 2yuf h GLU 92 CO 0.00 0.76 -1.20 -0.07 -1.00 0.00 0.00 179.01 177.50 2yuf h LEU 93 N 0.00 0.87 -1.89 1.33 3.38 -1.63 -3.24 115.31 114.14 2yuf h LEU 93 Ca -0.01 -0.78 0.02 0.00 0.09 0.00 0.00 57.88 57.20 2yuf h LEU 93 Cb 1.36 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2yuf h LEU 93 CO 0.10 1.59 0.12 0.74 0.09 0.00 0.00 178.44 181.08 2yuf h THR 94 N 0.30 0.99 0.42 0.22 2.02 -1.24 -1.59 112.91 114.03 2yuf h THR 94 Ca -0.17 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 2yuf h THR 94 Cb 1.87 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 2yuf h THR 94 CO 0.23 0.03 -0.20 0.58 0.37 0.00 0.00 175.52 176.53 2yuf h VAL 95 N 0.15 0.55 -0.71 3.16 2.07 -1.57 -0.51 116.25 119.40 2yuf h VAL 95 Ca 0.08 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.24 2yuf h VAL 95 Cb 0.12 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2yuf h VAL 95 CO -0.01 0.06 0.47 0.78 0.02 0.00 0.00 177.57 178.89 2yuf h ASN 96 N -0.79 0.80 0.48 0.57 2.35 -1.55 0.23 115.58 117.68 2yuf h ASN 96 Ca -0.06 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 2yuf h ASN 96 Cb 0.54 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.72 2yuf h ASN 96 CO 0.09 0.58 -0.23 -0.33 -1.65 0.00 0.00 177.43 175.89 2yuf h GLU 97 N 0.95 -0.63 -0.39 0.81 3.07 -1.27 -0.19 114.58 116.92 2yuf h GLU 97 Ca 0.26 0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 59.12 2yuf h GLU 97 Cb -0.09 0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 2yuf h GLU 97 CO -0.07 -0.42 0.06 0.00 -1.40 0.00 0.00 179.01 177.19 2yuf h ALA 98 N -0.13 1.37 -0.09 3.43 0.00 -0.93 -0.89 119.26 122.02 2yuf h ALA 98 Ca -0.07 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 2yuf h ALA 98 Cb 0.50 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2yuf h ALA 98 CO 0.11 0.45 -0.32 0.00 0.00 0.00 0.00 179.25 179.48 2yuf h ALA 99 N 1.49 1.29 0.15 0.00 0.00 -0.28 -2.30 119.26 119.61 2yuf h ALA 99 Ca 0.13 -0.34 -0.21 0.00 0.00 0.00 0.00 54.91 54.49 2yuf h ALA 99 Cb 0.28 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.01 2yuf h ALA 99 CO 0.00 0.49 -0.90 0.00 0.00 0.00 0.00 179.25 178.84 2yuf h ALA 100 N 1.52 -0.09 -0.11 0.00 0.00 -0.43 -2.96 119.26 117.18 2yuf h ALA 100 Ca 0.02 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 2yuf h ALA 100 Cb 0.65 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2yuf h ALA 100 CO 0.05 0.42 0.05 1.96 0.00 0.00 0.00 179.25 181.73 2yuf h GLN 101 N -0.27 0.15 -0.05 0.00 4.20 -1.13 -2.22 115.11 115.79 2yuf h GLN 101 Ca -0.16 -0.01 -0.22 0.00 0.06 0.00 0.00 58.65 58.33 2yuf h GLN 101 Cb 1.70 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 29.47 2yuf h GLN 101 CO 0.17 0.12 -0.81 -0.07 -0.67 0.00 0.00 178.83 177.57 2yuf h LEU 102 N 0.15 0.80 -1.85 1.46 3.38 -1.48 -3.19 115.31 114.58 2yuf h LEU 102 Ca 0.04 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.31 2yuf h LEU 102 Cb 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2yuf h LEU 102 CO -0.01 1.39 0.11 0.00 0.09 0.00 0.00 178.44 180.02 2yuf h VAL 104 N 0.21 1.03 0.40 0.00 2.07 -1.44 -3.23 116.25 115.29 2yuf h VAL 104 Ca 0.06 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 2yuf h VAL 104 Cb -0.02 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2yuf h VAL 104 CO -0.01 0.11 -0.19 0.11 0.02 0.00 0.00 177.57 177.61 2yuf h LYS 105 N -0.34 -0.52 -4.83 1.57 1.79 -1.49 -3.39 116.57 109.37 2yuf h LYS 105 Ca -0.01 0.04 -0.68 0.00 -2.18 0.00 0.00 60.65 57.81 2yuf h LYS 105 Cb 0.29 0.12 -0.32 0.00 -1.58 0.00 0.00 32.23 30.74 2yuf h LYS 105 CO 0.02 -0.34 -0.71 0.34 -1.08 0.00 0.00 179.45 177.68 2yuf s ASP 106 N -4.72 4.69 0.42 0.86 -1.08 -0.84 -4.97 116.67 111.04 2yuf s ASP 106 Ca -0.16 -1.05 0.18 0.00 -0.52 0.00 0.00 52.55 51.00 2yuf s ASP 106 Cb 0.04 -1.71 0.93 0.00 -1.46 0.00 0.00 42.92 40.72 2yuf s ASP 106 CO 0.64 -0.20 1.89 -1.13 0.52 0.00 0.00 175.17 176.88 2yuf h ASN 107 N 8.04 0.00 0.30 -0.34 -0.00 -1.77 -2.55 115.58 119.25 2yuf h ASN 107 Ca -0.27 0.00 -0.05 0.00 -0.00 0.00 0.00 56.30 55.98 2yuf h ASN 107 Cb 1.09 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.40 2yuf h ASN 107 CO 0.56 0.29 -0.24 0.00 -0.00 0.00 0.00 177.43 178.04 2yuf h ALA 108 N 1.71 1.50 -0.24 1.57 0.00 -1.93 -2.44 119.26 119.42 2yuf h ALA 108 Ca -0.00 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.76 2yuf h ALA 108 Cb 0.59 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2yuf h ALA 108 CO 0.04 0.30 0.19 -0.07 0.00 0.00 0.00 179.25 179.71 2yuf h LEU 109 N 0.00 0.00 -1.96 0.00 3.38 -1.78 -0.59 115.31 114.37 2yuf h LEU 109 Ca -0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 2yuf h LEU 109 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2yuf h LEU 109 CO 0.03 0.00 0.22 -0.07 0.09 0.00 0.00 178.44 178.72 2yuf h LEU 110 N 0.00 0.05 0.24 1.67 3.38 -1.60 -1.66 115.31 117.39 2yuf h LEU 110 Ca 0.11 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.75 2yuf h LEU 110 Cb 0.50 -0.01 0.03 0.00 0.09 0.00 0.00 40.66 41.27 2yuf h LEU 110 CO -0.00 0.03 -1.48 0.71 0.09 0.00 0.00 178.44 177.79 2yuf h THR 111 N 0.05 1.28 -3.29 0.22 1.35 -1.29 -3.44 112.91 107.79 2yuf h THR 111 Ca 0.15 -2.74 -0.58 0.00 -0.55 0.00 0.00 66.41 62.69 2yuf h THR 111 Cb 0.53 3.01 -0.07 0.00 -1.73 0.00 0.00 68.15 69.89 2yuf h THR 111 CO -0.01 0.82 0.42 -0.13 -0.25 0.00 0.00 175.52 176.37 2yuf s ARG 112 N -2.61 4.28 -0.17 4.72 1.81 -0.62 -4.92 118.95 121.44 2yuf s ARG 112 Ca -0.09 1.02 0.15 0.00 -1.72 0.00 0.00 55.73 55.09 2yuf s ARG 112 Cb 0.05 -3.59 -0.24 0.00 -0.45 0.00 0.00 34.95 30.72 2yuf s ARG 112 CO 0.93 -0.37 0.17 0.54 -0.68 0.00 0.00 175.30 175.89 2yuf n ARG 113 N 5.39 0.68 -0.05 3.54 3.00 -1.26 -3.77 116.66 124.17 2yuf n ARG 113 Ca 0.05 0.07 -0.15 0.00 -0.01 0.00 0.00 57.85 57.81 2yuf n ARG 113 Cb 0.48 -1.58 -0.07 0.00 0.00 0.00 0.00 32.46 31.30 2yuf n ARG 113 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2yuf h ASP 114 N 0.00 0.67 -0.33 0.55 3.58 -1.94 -1.84 116.42 117.11 2yuf h ASP 114 Ca -0.50 -0.57 -0.05 0.00 0.42 0.00 0.00 57.03 56.33 2yuf h ASP 114 Cb 2.17 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 43.01 2yuf h ASP 114 CO 0.03 1.12 0.01 -0.08 -2.88 0.00 0.00 179.24 177.44 2yuf h GLU 115 N 0.26 0.58 -0.00 0.28 4.81 -1.95 -0.59 114.58 117.97 2yuf h GLU 115 Ca -0.00 -0.18 -0.07 0.00 -0.13 0.00 0.00 59.36 58.98 2yuf h GLU 115 Cb 1.02 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 2yuf h GLU 115 CO 0.09 0.70 -0.32 1.25 -0.73 0.00 0.00 179.01 180.00 2yuf h LEU 116 N 0.39 0.00 -0.12 1.64 5.85 -1.65 -0.54 115.31 120.89 2yuf h LEU 116 Ca 0.10 -0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.63 2yuf h LEU 116 Cb 0.43 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 2yuf h LEU 116 CO 0.01 0.32 -0.90 0.15 -0.34 0.00 0.00 178.44 177.69 2yuf h PHE 117 N 0.00 0.00 0.05 1.25 3.57 -1.09 -2.35 116.94 118.38 2yuf h PHE 117 Ca -0.00 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.25 2yuf h PHE 117 Cb 0.57 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 2yuf h PHE 117 CO 0.00 0.90 -1.19 0.00 -2.23 0.00 0.00 178.31 175.79 2yuf h ALA 118 N 1.10 0.30 0.01 2.41 0.00 -0.72 -2.98 119.26 119.38 2yuf h ALA 118 Ca -0.01 -0.97 -0.05 0.00 0.00 0.00 0.00 54.91 53.88 2yuf h ALA 118 Cb 1.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2yuf h ALA 118 CO 0.12 1.18 -0.22 -0.07 0.00 0.00 0.00 179.25 180.26 2yuf h LEU 119 N 0.03 0.18 -0.14 0.00 3.38 -1.17 -2.97 115.31 114.61 2yuf h LEU 119 Ca -0.10 -0.82 0.01 0.00 0.09 0.00 0.00 57.88 57.06 2yuf h LEU 119 Cb 1.88 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 2yuf h LEU 119 CO 0.15 0.97 0.07 0.00 0.09 0.00 0.00 178.44 179.73 2yuf h ALA 120 N 0.21 0.17 -0.19 1.53 0.00 -1.56 -2.11 119.26 117.31 2yuf h ALA 120 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2yuf h ALA 120 Cb 1.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2yuf h ALA 120 CO 0.04 -0.36 0.13 0.00 0.00 0.00 0.00 179.25 179.05 2yuf h ARG 121 N 0.16 0.15 -0.03 0.00 3.08 -1.64 -0.90 114.38 115.19 2yuf h ARG 121 Ca 0.06 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.10 2yuf h ARG 121 Cb 0.01 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 2yuf h ARG 121 CO -0.04 0.10 0.02 0.37 -1.07 0.00 0.00 179.97 179.36 2yuf h GLN 122 N 0.16 0.02 0.07 0.04 4.15 -1.21 -2.02 115.11 116.32 2yuf h GLN 122 Ca 0.08 -0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.17 2yuf h GLN 122 Cb 0.11 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 2yuf h GLN 122 CO -0.01 0.01 -1.84 0.82 -1.93 0.00 0.00 178.83 175.88 2yuf h ILE 123 N 0.02 0.75 -0.02 2.39 2.04 -1.16 -3.26 117.51 118.27 2yuf h ILE 123 Ca 0.01 -2.54 -0.01 0.00 1.00 0.00 0.00 64.86 63.33 2yuf h ILE 123 Cb 0.03 2.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.59 2yuf h ILE 123 CO -0.00 0.70 -0.04 -1.28 0.00 0.00 0.00 178.15 177.53 2yuf h SER 124 N 0.04 0.02 0.41 1.72 0.87 -0.90 0.11 113.55 115.82 2yuf h SER 124 Ca -0.35 -0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 59.90 2yuf h SER 124 Cb 2.02 -0.00 0.02 0.00 -0.44 0.00 0.00 62.40 64.00 2yuf h SER 124 CO 0.09 0.06 -1.40 -0.09 -0.53 0.00 0.00 176.83 174.96 2yuf h ARG 125 N 0.02 0.42 -0.20 2.24 2.43 -1.52 -3.16 114.38 114.62 2yuf h ARG 125 Ca 0.00 -0.73 -0.11 0.00 -0.81 0.00 0.00 59.98 58.34 2yuf h ARG 125 Cb 0.09 0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2yuf h ARG 125 CO 0.01 1.34 -0.32 0.93 -1.51 0.00 0.00 179.97 180.42 2yuf h GLU 126 N 0.12 0.57 0.00 0.20 5.08 -1.47 0.27 114.58 119.35 2yuf h GLU 126 Ca -0.21 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 57.79 2yuf h GLU 126 Cb 2.09 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 31.37 2yuf h GLU 126 CO 0.24 0.95 -0.05 0.28 -1.00 0.00 0.00 179.01 179.44 2yuf h VAL 127 N 0.24 0.81 0.00 3.13 2.07 -0.93 -2.15 116.25 119.42 2yuf h VAL 127 Ca 0.02 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 67.26 2yuf h VAL 127 Cb 0.90 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 2yuf h VAL 127 CO 0.07 0.04 -1.79 0.41 0.02 0.00 0.00 177.57 176.32 2yuf n THR 128 N -4.16 0.62 -0.13 2.57 -1.04 -1.16 -2.08 114.28 108.91 2yuf n THR 128 Ca -0.03 -0.62 -0.05 0.00 -2.04 0.00 0.00 64.05 61.31 2yuf n THR 128 Cb 0.13 -0.30 0.03 0.00 -1.82 0.00 0.00 70.33 68.37 2yuf n THR 128 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 2yuf h TYR 129 N 0.00 0.34 0.00 -1.42 5.03 0.23 -3.35 116.97 117.80 2yuf h TYR 129 Ca -0.14 0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.09 2yuf h TYR 129 Cb 1.37 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 39.54 2yuf h TYR 129 CO 0.00 0.16 -1.37 1.17 -1.32 0.00 0.00 178.16 176.80 2yuf n LYS 130 N -4.95 0.94 -2.24 1.82 4.81 -1.18 -5.09 118.16 112.27 2yuf n LYS 130 Ca 0.03 0.03 -0.02 0.00 -0.87 0.00 0.00 58.31 57.47 2yuf n LYS 130 Cb 0.13 -1.13 -0.02 0.00 0.02 0.00 0.00 35.03 34.02 2yuf n LYS 130 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 2yuf n TYR 131 N -2.56 -3.79 -1.44 5.64 9.36 -0.88 -4.93 117.16 118.56 2yuf n TYR 131 Ca -0.11 2.23 0.00 0.00 3.32 0.00 0.00 57.90 63.35 2yuf n TYR 131 Cb 0.64 -3.49 -0.00 0.00 -0.63 0.00 0.00 39.34 35.86 2yuf n TYR 131 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 2yuf n THR 132 N 1.43 -2.63 -3.12 2.97 -1.04 -1.26 -4.70 114.28 105.94 2yuf n THR 132 Ca -0.18 1.32 -0.45 0.00 -2.04 0.00 0.00 64.05 62.70 2yuf n THR 132 Cb 0.28 -2.20 -0.02 0.00 -1.82 0.00 0.00 70.33 66.56 2yuf n THR 132 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2yuf s TYR 133 N -5.28 3.39 0.53 -1.42 1.51 -1.26 -5.04 117.35 109.79 2yuf s TYR 133 Ca 0.00 -1.62 -0.19 0.00 -1.01 0.00 0.00 57.07 54.24 2yuf s TYR 133 Cb 0.00 -4.06 -0.06 0.00 -0.11 0.00 0.00 41.96 37.73 2yuf s TYR 133 CO 0.00 -1.26 1.10 0.50 -1.11 0.00 0.00 175.55 174.78 2yuf s ARG 134 N 1.58 3.47 0.34 -0.62 3.00 -1.26 -5.06 118.95 120.40 2yuf s ARG 134 Ca 0.25 1.52 0.03 0.00 -1.00 0.00 0.00 55.73 56.53 2yuf s ARG 134 Cb -0.09 -2.03 -0.04 0.00 0.00 0.00 0.00 34.95 32.79 2yuf s ARG 134 CO -0.08 -0.73 0.12 -0.08 0.00 0.00 0.00 175.30 174.53 2yuf s THR 135 N -1.86 0.61 -0.73 4.11 -1.32 -1.26 -5.05 115.64 110.14 2yuf s THR 135 Ca 0.71 -2.00 -0.05 0.00 -1.21 0.00 0.00 61.69 59.14 2yuf s THR 135 Cb -0.21 -2.53 0.04 0.00 -1.51 0.00 0.00 72.50 68.29 2yuf s THR 135 CO 0.25 0.00 2.74 0.35 -2.21 0.00 0.00 174.62 175.75 2yuf n THR 136 N -0.70 3.94 0.00 5.08 -2.24 -1.26 -4.35 114.28 114.75 2yuf n THR 136 Ca -0.02 -3.27 -0.02 0.00 -2.27 0.00 0.00 64.05 58.47 2yuf n THR 136 Cb 0.65 -1.82 -0.01 0.00 -2.10 0.00 0.00 70.33 67.06 2yuf n THR 136 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2yuf n SER 137 N 1.39 1.06 0.00 3.42 7.64 -1.26 -5.13 113.62 120.73 2yuf n SER 137 Ca 0.54 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.57 2yuf n SER 137 Cb 0.48 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 2yuf n SER 137 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuf n GLY 138 N 2.80 2.34 3.56 0.23 0.00 -1.26 -4.62 105.19 108.24 2yuf n GLY 138 Ca -0.04 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 2yuf n GLY 138 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yuf s PRO 139 N -0.23 2.70 -1.65 1.61 0.04 -1.26 -2.82 135.00 133.39 2yuf s PRO 139 Ca 0.00 0.96 -0.01 0.00 0.04 0.00 0.00 61.00 61.99 2yuf s PRO 139 Cb 0.00 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 30.16 2yuf s PRO 139 CO 0.00 -2.62 0.18 0.43 0.04 0.00 0.00 177.00 175.03 2yuf n SER 140 N 12.74 -5.81 0.00 6.66 7.64 -1.26 -4.88 113.62 128.71 2yuf n SER 140 Ca 0.24 -0.10 -0.01 0.00 1.01 0.00 0.00 58.87 60.01 2yuf n SER 140 Cb 0.51 -4.77 -0.00 0.00 -1.01 0.00 0.00 64.21 58.94 2yuf n SER 140 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yuf n SER 141 N -1.99 0.51 0.00 6.43 2.88 -1.13 -5.32 113.62 115.01 2yuf n SER 141 Ca -0.20 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 2yuf n SER 141 Cb 0.66 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 2yuf n SER 141 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42