#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p5t s LEU 67 N 0.00 2.22 0.38 3.17 1.43 -1.26 -5.09 118.68 119.53 2p5t s LEU 67 Ca 0.00 -0.62 -0.26 0.00 -1.03 0.00 0.00 54.13 52.22 2p5t s LEU 67 Cb 0.00 -1.14 -0.11 0.00 0.03 0.00 0.00 46.19 44.96 2p5t s LEU 67 CO 0.00 0.19 1.08 0.59 0.23 0.00 0.00 176.35 178.44 2p5t n ASN 68 N 1.50 1.65 -0.32 2.29 3.02 -1.26 -4.47 115.26 117.68 2p5t n ASN 68 Ca -0.18 1.10 0.13 0.00 -0.03 0.00 0.00 54.58 55.60 2p5t n ASN 68 Cb 0.53 -1.38 0.27 0.00 -0.61 0.00 0.00 39.78 38.59 2p5t n ASN 68 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2p5t h PRO 69 N 1.86 0.05 -0.26 3.52 0.11 -2.00 0.95 132.00 136.24 2p5t h PRO 69 Ca -0.44 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 2p5t h PRO 69 Cb 1.32 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 2p5t h PRO 69 CO 0.59 0.03 -0.05 0.28 -0.21 0.00 0.00 178.00 178.65 2p5t h VAL 70 N 0.05 1.28 -0.24 3.15 2.07 -1.99 -2.53 116.25 118.04 2p5t h VAL 70 Ca 0.56 -1.03 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 2p5t h VAL 70 Cb 1.13 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 2p5t h VAL 70 CO -0.84 0.32 -0.16 -0.08 0.02 0.00 0.00 177.57 176.84 2p5t h GLU 71 N 0.24 0.40 -0.35 1.57 4.81 -0.99 0.13 114.58 120.38 2p5t h GLU 71 Ca 0.07 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 2p5t h GLU 71 Cb 0.50 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2p5t h GLU 71 CO 0.02 0.56 0.03 0.22 -0.73 0.00 0.00 179.01 179.11 2p5t h ASP 72 N 0.37 0.59 -0.79 1.04 3.58 0.73 -1.49 116.42 120.44 2p5t h ASP 72 Ca 0.07 -0.29 -0.03 0.00 0.42 0.00 0.00 57.03 57.20 2p5t h ASP 72 Cb 0.50 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.35 2p5t h ASP 72 CO 0.03 0.73 0.38 0.22 -2.88 0.00 0.00 179.24 177.71 2p5t h TYR 73 N 0.43 1.16 -0.57 0.28 3.20 -1.08 -2.23 116.97 118.15 2p5t h TYR 73 Ca 0.10 -0.06 0.05 0.00 3.14 0.00 0.00 58.73 61.97 2p5t h TYR 73 Cb 0.41 -0.36 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 2p5t h TYR 73 CO 0.03 0.84 0.29 1.49 -1.64 0.00 0.00 178.16 179.17 2p5t h GLU 74 N 1.14 0.53 -0.47 1.82 4.57 -0.47 -0.70 114.58 121.01 2p5t h GLU 74 Ca 0.27 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.49 2p5t h GLU 74 Cb 0.13 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.54 2p5t h GLU 74 CO -0.03 0.35 0.16 1.25 -1.18 0.00 0.00 179.01 179.56 2p5t h LEU 75 N 0.55 0.15 -0.88 1.64 5.85 -0.83 -1.26 115.31 120.53 2p5t h LEU 75 Ca 0.26 0.06 0.14 0.00 0.84 0.00 0.00 57.88 59.18 2p5t h LEU 75 Cb 0.18 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.16 2p5t h LEU 75 CO -0.18 0.12 0.48 0.74 -0.34 0.00 0.00 178.44 179.25 2p5t h THR 76 N 0.33 0.76 -0.63 1.05 2.02 -0.67 0.13 112.91 115.90 2p5t h THR 76 Ca 0.22 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 2p5t h THR 76 Cb 0.23 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.63 2p5t h THR 76 CO -0.23 0.12 0.22 -0.07 0.37 0.00 0.00 175.52 175.94 2p5t h LEU 77 N 0.68 0.86 -0.14 2.58 3.38 -0.04 0.12 115.31 122.76 2p5t h LEU 77 Ca 0.47 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 2p5t h LEU 77 Cb 0.64 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2p5t h LEU 77 CO -0.35 0.79 -0.01 0.11 0.09 0.00 0.00 178.44 179.08 2p5t h LYS 78 N 0.91 0.24 -0.72 1.13 1.79 -0.40 -1.55 116.57 117.98 2p5t h LYS 78 Ca 0.21 -0.08 0.12 0.00 -2.18 0.00 0.00 60.65 58.72 2p5t h LYS 78 Cb 0.22 -0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 30.76 2p5t h LYS 78 CO -0.01 0.49 0.31 0.82 -1.08 0.00 0.00 179.45 179.98 2p5t h ILE 79 N -0.03 0.73 -0.03 1.86 2.04 -0.41 -1.00 117.51 120.67 2p5t h ILE 79 Ca 0.04 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 2p5t h ILE 79 Cb 0.39 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 2p5t h ILE 79 CO 0.01 0.09 0.01 -0.08 0.00 0.00 0.00 178.15 178.18 2p5t h GLU 80 N 0.49 0.04 -0.44 2.37 4.81 -0.64 -1.72 114.58 119.48 2p5t h GLU 80 Ca 0.38 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.59 2p5t h GLU 80 Cb 0.51 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 2p5t h GLU 80 CO -0.35 0.12 0.22 0.82 -0.73 0.00 0.00 179.01 179.09 2p5t h ILE 81 N -0.05 1.18 -0.26 2.32 1.08 -0.38 -0.91 117.51 120.48 2p5t h ILE 81 Ca 0.01 -0.49 0.00 0.00 -0.39 0.00 0.00 64.86 64.00 2p5t h ILE 81 Cb 0.09 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 2p5t h ILE 81 CO -0.00 0.19 0.17 0.58 -0.69 0.00 0.00 178.15 178.40 2p5t h VAL 82 N 0.57 1.07 -0.46 1.67 2.07 -1.24 -2.53 116.25 117.42 2p5t h VAL 82 Ca 0.15 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.58 2p5t h VAL 82 Cb 0.10 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 2p5t h VAL 82 CO -0.02 0.07 0.18 0.50 0.02 0.00 0.00 177.57 178.32 2p5t h LYS 83 N 0.35 0.35 0.74 1.57 3.11 -0.70 0.36 116.57 122.35 2p5t h LYS 83 Ca 0.10 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.88 2p5t h LYS 83 Cb -0.03 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.12 2p5t h LYS 83 CO -0.02 0.23 -0.41 1.49 -2.81 0.00 0.00 179.45 177.93 2p5t h GLU 84 N 0.36 -1.02 -0.88 1.90 4.57 -1.13 -1.50 114.58 116.88 2p5t h GLU 84 Ca 0.21 0.07 0.22 0.00 -1.18 0.00 0.00 59.36 58.69 2p5t h GLU 84 Cb 0.19 0.23 -0.13 0.00 -0.16 0.00 0.00 28.75 28.89 2p5t h GLU 84 CO -0.20 -0.68 0.33 -0.09 -1.18 0.00 0.00 179.01 177.19 2p5t h ARG 85 N -1.06 0.32 0.10 1.92 2.43 -1.09 -2.11 114.38 114.89 2p5t h ARG 85 Ca -0.10 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2p5t h ARG 85 Cb 0.84 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 2p5t h ARG 85 CO 0.13 0.21 -0.05 0.78 -1.51 0.00 0.00 179.97 179.53 2p5t h GLY 86 N 0.33 -0.14 -0.00 2.80 0.00 -0.04 -1.99 103.07 104.02 2p5t h GLY 86 Ca 0.55 0.05 0.15 0.00 0.00 0.00 0.00 47.33 48.09 2p5t h GLY 86 CO -0.57 -0.05 0.19 0.00 0.00 0.00 0.00 176.54 176.11 2p5t h ALA 87 N 0.67 0.94 -0.74 3.60 0.00 -0.62 0.87 119.26 123.99 2p5t h ALA 87 Ca -0.01 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2p5t h ALA 87 Cb 0.18 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2p5t h ALA 87 CO 0.02 -0.31 0.35 -0.91 0.00 0.00 0.00 179.25 178.40 2p5t h ASN 88 N 0.30 0.95 -0.28 0.00 2.35 -1.22 -0.78 115.58 116.90 2p5t h ASN 88 Ca 0.40 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 56.00 2p5t h ASN 88 Cb 0.67 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 2p5t h ASN 88 CO -0.48 0.81 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.03 2p5t h LEU 89 N 1.05 0.49 -0.41 1.61 3.38 -0.50 -2.78 115.31 118.15 2p5t h LEU 89 Ca 0.25 -0.32 0.08 0.00 0.09 0.00 0.00 57.88 57.99 2p5t h LEU 89 Cb 0.11 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.65 2p5t h LEU 89 CO -0.03 0.69 -0.08 0.25 0.09 0.00 0.00 178.44 179.36 2p5t h LEU 90 N 0.28 -0.34 -0.90 1.67 5.85 -0.41 0.94 115.31 122.40 2p5t h LEU 90 Ca 0.08 0.12 0.11 0.00 0.84 0.00 0.00 57.88 59.03 2p5t h LEU 90 Cb 0.45 0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.64 2p5t h LEU 90 CO 0.02 -0.12 0.53 0.28 -0.34 0.00 0.00 178.44 178.80 2p5t h SER 91 N 0.02 0.75 -0.70 1.25 0.02 -1.13 0.11 113.55 113.87 2p5t h SER 91 Ca 0.20 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.16 2p5t h SER 91 Cb 0.30 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 2p5t h SER 91 CO -0.41 0.40 0.26 0.03 -1.14 0.00 0.00 176.83 175.98 2p5t h ARG 92 N 0.84 1.05 0.12 3.45 3.08 -0.91 -1.43 114.38 120.59 2p5t h ARG 92 Ca 0.45 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 2p5t h ARG 92 Cb 0.45 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2p5t h ARG 92 CO -0.27 0.88 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.38 2p5t h LEU 93 N 1.00 -0.14 -0.31 3.04 3.38 0.35 -1.00 115.31 121.63 2p5t h LEU 93 Ca 0.23 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.20 2p5t h LEU 93 Cb 0.23 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 2p5t h LEU 93 CO -0.02 -0.04 0.01 1.88 0.09 0.00 0.00 178.44 180.37 2p5t h TYR 94 N -0.24 0.01 -0.53 1.13 0.05 -0.72 0.12 116.97 116.79 2p5t h TYR 94 Ca -0.02 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.81 2p5t h TYR 94 Cb 0.19 0.04 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 2p5t h TYR 94 CO -0.05 -0.04 0.32 0.00 -1.05 0.00 0.00 178.16 177.34 2p5t h ARG 95 N 0.10 0.62 -0.06 4.88 3.08 -1.19 0.00 114.38 121.81 2p5t h ARG 95 Ca 0.15 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 2p5t h ARG 95 Cb 0.19 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 2p5t h ARG 95 CO -0.24 0.41 0.01 -0.92 -1.07 0.00 0.00 179.97 178.16 2p5t h TYR 96 N 0.64 0.11 -0.28 3.04 3.20 -0.86 -2.43 116.97 120.38 2p5t h TYR 96 Ca 0.21 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.13 2p5t h TYR 96 Cb 0.01 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.18 2p5t h TYR 96 CO -0.06 0.32 -0.25 1.96 -1.64 0.00 0.00 178.16 178.49 2p5t h GLN 97 N -0.14 -0.23 -0.47 1.82 4.20 -0.58 -1.66 115.11 118.04 2p5t h GLN 97 Ca 0.02 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.82 2p5t h GLN 97 Cb 0.27 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.04 2p5t h GLN 97 CO 0.00 -0.15 0.13 -0.44 -0.67 0.00 0.00 178.83 177.70 2p5t h ASP 98 N -0.24 0.09 0.60 1.46 3.32 -0.97 -1.50 116.42 119.18 2p5t h ASP 98 Ca 0.15 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2p5t h ASP 98 Cb 0.47 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.10 2p5t h ASP 98 CO -0.42 0.08 0.00 0.77 -1.72 0.00 0.00 179.24 177.95 2p5t h SER 99 N 0.28 0.00 -0.20 6.45 4.64 -0.92 -1.38 113.55 122.42 2p5t h SER 99 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2p5t h SER 99 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2p5t h SER 99 CO -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.69 2p5t n GLN 100 N -2.66 2.25 -0.90 4.77 1.13 -0.61 -4.94 117.38 116.42 2p5t n GLN 100 Ca 0.00 -1.85 0.00 0.00 -1.94 0.00 0.00 57.00 53.21 2p5t n GLN 100 Cb 0.20 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.07 2p5t n GLN 100 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2p5t n GLY 101 N 1.37 0.40 3.68 1.08 0.00 -0.52 -4.97 105.19 106.22 2p5t n GLY 101 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2p5t n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2p5t s ILE 102 N -2.04 3.13 0.60 -0.61 1.01 -0.91 -4.97 121.20 117.41 2p5t s ILE 102 Ca 0.00 0.42 -0.18 0.00 0.00 0.00 0.00 60.65 60.89 2p5t s ILE 102 Cb 0.00 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 2p5t s ILE 102 CO 0.00 -0.02 1.17 -0.44 0.00 0.00 0.00 174.94 175.66 2p5t s SER 103 N 3.03 5.24 0.16 3.58 0.01 -1.26 -4.56 113.70 119.90 2p5t s SER 103 Ca 0.77 2.28 0.14 0.00 1.31 0.00 0.00 55.95 60.44 2p5t s SER 103 Cb -0.39 -2.59 0.67 0.00 0.21 0.00 0.00 66.02 63.93 2p5t s SER 103 CO 0.34 -1.55 1.42 0.00 0.41 0.00 0.00 173.24 173.86 2p5t n ILE 104 N -1.72 1.31 -1.67 1.44 3.06 -1.26 -2.63 119.36 117.90 2p5t n ILE 104 Ca 0.13 0.50 0.01 0.00 -2.50 0.00 0.00 62.75 60.88 2p5t n ILE 104 Cb 0.50 -1.45 0.01 0.00 0.54 0.00 0.00 39.64 39.24 2p5t n ILE 104 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 2p5t n ASP 105 N -1.89 0.22 -4.58 9.51 5.75 -1.26 -4.99 116.55 119.31 2p5t n ASP 105 Ca 0.00 -1.86 -0.31 0.00 -0.01 0.00 0.00 54.79 52.61 2p5t n ASP 105 Cb 0.08 -0.17 -0.05 0.00 -1.03 0.00 0.00 41.12 39.95 2p5t n ASP 105 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2p5t s ASP 106 N -0.92 5.37 0.00 -1.12 2.15 -1.08 -4.76 116.67 116.32 2p5t s ASP 106 Ca 0.02 -1.81 0.11 0.00 0.43 0.00 0.00 52.55 51.30 2p5t s ASP 106 Cb 0.02 -2.59 0.67 0.00 -0.30 0.00 0.00 42.92 40.72 2p5t s ASP 106 CO 0.00 -2.72 1.10 -0.62 -0.17 0.00 0.00 175.17 172.77 2p5t n GLU 107 N 8.31 0.50 0.06 4.34 1.02 -1.26 -1.41 120.64 132.20 2p5t n GLU 107 Ca 0.46 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.71 2p5t n GLU 107 Cb 0.46 -1.35 0.05 0.00 -0.02 0.00 0.00 31.44 30.59 2p5t n GLU 107 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2p5t n SER 108 N -0.85 0.69 -4.70 1.62 3.41 -1.26 -4.82 113.62 107.71 2p5t n SER 108 Ca 0.08 0.09 -0.38 0.00 -0.26 0.00 0.00 58.87 58.40 2p5t n SER 108 Cb 0.04 0.55 -0.06 0.00 -0.26 0.00 0.00 64.21 64.47 2p5t n SER 108 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2p5t s ASN 109 N -4.57 6.63 0.07 4.04 3.84 -0.50 -5.02 114.94 119.43 2p5t s ASN 109 Ca 0.02 0.75 -0.31 0.00 0.21 0.00 0.00 52.86 53.54 2p5t s ASN 109 Cb 0.12 -2.29 -0.15 0.00 -0.55 0.00 0.00 41.25 38.39 2p5t s ASN 109 CO 0.78 -0.07 1.48 -0.65 -2.79 0.00 0.00 177.10 175.84 2p5t h PRO 110 N 7.02 -0.82 -0.81 0.43 0.11 -1.88 -2.68 132.00 133.37 2p5t h PRO 110 Ca -0.38 0.06 0.34 0.00 0.11 0.00 0.00 66.00 66.12 2p5t h PRO 110 Cb 1.17 0.19 -0.15 0.00 0.11 0.00 0.00 31.00 32.32 2p5t h PRO 110 CO 0.75 -0.55 0.44 0.91 -0.21 0.00 0.00 178.00 179.34 2p5t n TRP 111 N -5.06 0.95 -0.08 0.65 7.02 -1.26 0.11 117.44 119.77 2p5t n TRP 111 Ca -0.10 0.95 -0.12 0.00 -1.02 0.00 0.00 57.50 57.22 2p5t n TRP 111 Cb 0.39 -1.37 -0.05 0.00 -2.42 0.00 0.00 31.31 27.86 2p5t n TRP 111 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 2p5t h ILE 112 N 0.00 1.28 -0.29 -0.99 1.08 -1.76 -0.40 117.51 116.43 2p5t h ILE 112 Ca 0.69 -1.01 0.01 0.00 -0.39 0.00 0.00 64.86 64.16 2p5t h ILE 112 Cb 1.82 1.48 -0.02 0.00 -3.07 0.00 0.00 36.82 37.02 2p5t h ILE 112 CO -0.62 0.31 0.16 -0.07 -0.69 0.00 0.00 178.15 177.24 2p5t h LEU 113 N 0.18 0.26 -0.34 1.44 3.38 0.95 0.12 115.31 121.31 2p5t h LEU 113 Ca 0.06 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.10 2p5t h LEU 113 Cb 0.49 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 2p5t h LEU 113 CO 0.02 0.19 -0.43 -0.03 0.09 0.00 0.00 178.44 178.28 2p5t h MET 114 N 0.33 -0.36 -0.44 1.13 4.05 -1.05 -0.20 114.93 118.40 2p5t h MET 114 Ca 0.11 0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.49 2p5t h MET 114 Cb 0.01 0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 2p5t h MET 114 CO -0.06 -0.24 -0.03 0.66 0.23 0.00 0.00 176.91 177.47 2p5t h SER 115 N -0.37 0.70 0.55 1.39 4.64 -0.80 -0.89 113.55 118.75 2p5t h SER 115 Ca 0.12 -0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 2p5t h SER 115 Cb 0.60 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 2p5t h SER 115 CO -0.53 0.78 -0.36 0.44 -0.87 0.00 0.00 176.83 176.29 2p5t h ASP 116 N 0.68 -0.92 -0.72 4.97 3.32 -0.34 0.06 116.42 123.46 2p5t h ASP 116 Ca 0.13 0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.30 2p5t h ASP 116 Cb 0.46 0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 2p5t h ASP 116 CO 0.02 -0.55 0.48 -0.78 -1.72 0.00 0.00 179.24 176.68 2p5t h ASP 117 N -0.87 0.67 -0.16 6.45 3.58 -0.94 -0.98 116.42 124.17 2p5t h ASP 117 Ca -0.06 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 2p5t h ASP 117 Cb 0.72 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.62 2p5t h ASP 117 CO 0.05 0.44 -0.04 0.25 -2.88 0.00 0.00 179.24 177.06 2p5t h LEU 118 N 0.76 0.31 0.02 2.28 5.85 -0.90 -1.70 115.31 121.92 2p5t h LEU 118 Ca 0.31 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.70 2p5t h LEU 118 Cb 0.24 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 2p5t h LEU 118 CO -0.10 0.60 -0.38 -1.28 -0.34 0.00 0.00 178.44 176.94 2p5t h SER 119 N 0.01 -1.14 -0.72 1.25 0.87 -0.46 0.20 113.55 113.55 2p5t h SER 119 Ca 0.04 0.14 0.20 0.00 -1.23 0.00 0.00 61.79 60.94 2p5t h SER 119 Cb 0.46 0.45 -0.03 0.00 -0.44 0.00 0.00 62.40 62.84 2p5t h SER 119 CO 0.02 -0.43 0.51 0.44 -0.53 0.00 0.00 176.83 176.83 2p5t h ASP 120 N -0.55 0.08 0.31 6.23 3.32 -1.08 0.46 116.42 125.20 2p5t h ASP 120 Ca 0.05 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 2p5t h ASP 120 Cb 0.62 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2p5t h ASP 120 CO -0.29 0.04 -0.15 0.25 -1.72 0.00 0.00 179.24 177.37 2p5t h LEU 121 N 0.08 -0.36 -2.00 1.55 5.85 -0.45 -1.32 115.31 118.67 2p5t h LEU 121 Ca 0.35 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 2p5t h LEU 121 Cb 1.26 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 2p5t h LEU 121 CO -0.03 0.11 -0.10 -0.29 -0.34 0.00 0.00 178.44 177.78 2p5t h ILE 122 N -1.07 0.61 0.00 4.05 6.09 0.81 -2.08 117.51 125.92 2p5t h ILE 122 Ca -0.04 -0.43 -0.27 0.00 -1.37 0.00 0.00 64.86 62.74 2p5t h ILE 122 Cb 0.41 1.27 -0.05 0.00 0.47 0.00 0.00 36.82 38.92 2p5t h ILE 122 CO 0.07 0.10 -2.11 1.41 -3.07 0.00 0.00 178.15 174.55 2p5t n HIS 123 N -3.75 0.00 0.08 2.19 8.25 0.15 -4.88 115.22 117.26 2p5t n HIS 123 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2p5t n HIS 123 Cb 0.21 -0.78 0.00 0.00 1.12 0.00 0.00 29.99 30.53 2p5t n HIS 123 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2p5t n THR 124 N -2.57 0.78 0.13 1.59 -1.04 -1.03 -4.97 114.28 107.17 2p5t n THR 124 Ca -0.25 0.26 -0.02 0.00 -2.04 0.00 0.00 64.05 62.00 2p5t n THR 124 Cb 0.99 -1.23 0.13 0.00 -1.82 0.00 0.00 70.33 68.39 2p5t n THR 124 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2p5t h ASN 125 N 0.00 0.00 0.61 8.00 2.35 -0.86 -3.02 115.58 122.67 2p5t h ASN 125 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2p5t h ASN 125 Cb 0.04 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 2p5t h ASN 125 CO 0.00 0.67 -0.00 0.40 -1.65 0.00 0.00 177.43 176.84 2p5t h ILE 126 N 0.00 0.02 0.00 2.81 2.04 -1.66 -1.41 117.51 119.30 2p5t h ILE 126 Ca -0.01 -0.32 -0.13 0.00 1.00 0.00 0.00 64.86 65.41 2p5t h ILE 126 Cb 1.20 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 2p5t h ILE 126 CO 0.09 0.00 -0.60 1.88 0.00 0.00 0.00 178.15 179.52 2p5t h TYR 127 N 0.00 0.00 -0.00 1.37 0.05 -1.81 -2.98 116.97 113.60 2p5t h TYR 127 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2p5t h TYR 127 Cb 0.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.05 2p5t h TYR 127 CO 0.00 0.60 -0.20 1.28 -1.05 0.00 0.00 178.16 178.79 2p5t n LEU 128 N -3.48 0.31 -4.66 3.88 4.77 -0.55 -4.87 117.00 112.39 2p5t n LEU 128 Ca 0.00 0.19 -0.44 0.00 -0.03 0.00 0.00 56.01 55.73 2p5t n LEU 128 Cb 0.68 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 41.42 2p5t n LEU 128 CO 0.41 0.07 0.93 0.52 -1.33 0.00 0.00 177.39 177.99 2p5t n VAL 129 N -1.35 1.27 0.00 4.08 0.31 -1.09 -4.92 118.33 116.64 2p5t n VAL 129 Ca 0.09 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 2p5t n VAL 129 Cb 0.32 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 2p5t n VAL 129 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2p5t n GLU 130 N 1.57 4.48 -4.23 5.55 1.02 -1.26 -5.08 120.64 122.69 2p5t n GLU 130 Ca 0.10 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.08 2p5t n GLU 130 Cb 0.32 -0.62 -0.11 0.00 -0.02 0.00 0.00 31.44 31.01 2p5t n GLU 130 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2p5t s THR 131 N -1.22 1.22 0.35 2.62 -4.23 -1.26 -5.04 115.64 108.09 2p5t s THR 131 Ca 0.00 -1.77 0.05 0.00 -1.18 0.00 0.00 61.69 58.80 2p5t s THR 131 Cb 0.00 -1.55 0.17 0.00 1.34 0.00 0.00 72.50 72.46 2p5t s THR 131 CO 0.00 -0.51 1.91 -0.26 -0.54 0.00 0.00 174.62 175.22 2p5t h PHE 132 N 3.38 0.50 -0.26 3.99 0.04 -1.99 -2.00 116.94 120.61 2p5t h PHE 132 Ca -0.39 -0.04 -0.10 0.00 2.80 0.00 0.00 57.97 60.24 2p5t h PHE 132 Cb 1.19 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 39.18 2p5t h PHE 132 CO 0.65 0.48 -0.28 -0.44 -0.60 0.00 0.00 178.31 178.12 2p5t h ASP 133 N 0.47 0.52 -0.58 2.17 5.19 -1.99 -1.99 116.42 120.21 2p5t h ASP 133 Ca 0.11 -0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 56.31 2p5t h ASP 133 Cb 0.28 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.61 2p5t h ASP 133 CO 0.01 0.79 0.31 -0.33 -3.12 0.00 0.00 179.24 176.89 2p5t h GLU 134 N 0.45 0.85 -0.31 3.56 5.08 -1.78 -1.32 114.58 121.11 2p5t h GLU 134 Ca 0.06 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2p5t h GLU 134 Cb 0.72 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2p5t h GLU 134 CO 0.06 0.65 0.02 0.82 -1.00 0.00 0.00 179.01 179.55 2p5t h ILE 135 N 0.85 1.25 -0.48 3.13 1.08 -1.11 -2.83 117.51 119.41 2p5t h ILE 135 Ca 0.21 -0.89 0.05 0.00 -0.39 0.00 0.00 64.86 63.84 2p5t h ILE 135 Cb 0.06 1.24 -0.05 0.00 -3.07 0.00 0.00 36.82 35.00 2p5t h ILE 135 CO -0.03 0.29 0.21 -0.33 -0.69 0.00 0.00 178.15 177.60 2p5t h GLU 136 N 0.33 0.40 -0.86 2.37 4.39 -1.03 -1.78 114.58 118.41 2p5t h GLU 136 Ca 0.09 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.85 2p5t h GLU 136 Cb 0.40 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 28.89 2p5t h GLU 136 CO 0.01 0.27 0.51 0.00 -1.16 0.00 0.00 179.01 178.64 2p5t h ARG 137 N 0.42 0.85 -0.34 2.33 3.08 -1.15 -1.13 114.38 118.43 2p5t h ARG 137 Ca 0.22 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 2p5t h ARG 137 Cb 0.17 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2p5t h ARG 137 CO -0.18 0.56 -0.14 1.88 -1.07 0.00 0.00 179.97 181.02 2p5t h TYR 138 N 0.88 0.79 -0.34 3.04 0.05 -1.24 -2.19 116.97 117.96 2p5t h TYR 138 Ca 0.40 -0.19 0.07 0.00 0.05 0.00 0.00 58.73 59.05 2p5t h TYR 138 Cb 0.30 -0.19 -0.06 0.00 1.01 0.00 0.00 36.73 37.80 2p5t h TYR 138 CO -0.04 0.89 -0.06 0.77 -1.05 0.00 0.00 178.16 178.67 2p5t h SER 139 N 0.47 -0.26 -0.60 3.88 0.02 -0.62 0.36 113.55 116.81 2p5t h SER 139 Ca 0.08 0.09 0.07 0.00 -0.84 0.00 0.00 61.79 61.19 2p5t h SER 139 Cb 0.67 0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.36 2p5t h SER 139 CO 0.05 -0.09 0.40 1.23 -1.14 0.00 0.00 176.83 177.28 2p5t h GLY 140 N 0.03 0.71 0.77 -3.77 0.00 -1.14 0.13 103.07 99.80 2p5t h GLY 140 Ca 0.17 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 2p5t h GLY 140 CO -0.33 0.16 -0.04 -1.82 0.00 0.00 0.00 176.54 174.52 2p5t h TYR 141 N 0.55 0.35 -0.78 5.60 3.20 -0.58 -2.44 116.97 122.87 2p5t h TYR 141 Ca 0.26 -0.07 0.04 0.00 3.14 0.00 0.00 58.73 62.09 2p5t h TYR 141 Cb 0.32 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.46 2p5t h TYR 141 CO -0.00 0.58 0.49 -0.07 -1.64 0.00 0.00 178.16 177.52 2p5t h LEU 142 N 0.02 0.80 -0.66 2.82 3.38 -0.15 -0.91 115.31 120.61 2p5t h LEU 142 Ca 0.04 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.14 2p5t h LEU 142 Cb 0.47 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 40.95 2p5t h LEU 142 CO 0.02 0.55 0.20 0.44 0.09 0.00 0.00 178.44 179.73 2p5t h ASP 143 N 0.95 0.11 -0.59 -0.43 3.32 -0.74 0.11 116.42 119.16 2p5t h ASP 143 Ca 0.31 0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.40 2p5t h ASP 143 Cb 0.03 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2p5t h ASP 143 CO -0.12 0.05 0.08 1.23 -1.72 0.00 0.00 179.24 178.76 2p5t h GLY 144 N 0.33 1.06 0.92 2.75 0.00 -0.71 -0.29 103.07 107.14 2p5t h GLY 144 Ca 0.35 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 2p5t h GLY 144 CO -0.40 0.66 0.12 -2.22 0.00 0.00 0.00 176.54 174.70 2p5t h ILE 145 N 0.88 1.16 -1.01 2.60 2.04 -0.92 -3.12 117.51 119.14 2p5t h ILE 145 Ca 0.18 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.60 2p5t h ILE 145 Cb 0.44 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 2p5t h ILE 145 CO 0.01 0.16 0.66 -0.08 0.00 0.00 0.00 178.15 178.91 2p5t h GLU 146 N 0.29 1.29 -0.94 2.37 4.81 -0.48 -1.47 114.58 120.45 2p5t h GLU 146 Ca 0.09 -0.08 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 2p5t h GLU 146 Cb 0.14 -0.29 -0.06 0.00 0.63 0.00 0.00 28.75 29.16 2p5t h GLU 146 CO -0.01 0.86 0.61 0.00 -0.73 0.00 0.00 179.01 179.73 2p5t h ARG 147 N 1.33 1.03 0.18 1.92 3.08 -1.00 -0.24 114.38 120.68 2p5t h ARG 147 Ca 0.38 -0.06 -0.29 0.00 0.07 0.00 0.00 59.98 60.08 2p5t h ARG 147 Cb -0.10 -0.23 0.02 0.00 0.08 0.00 0.00 29.97 29.73 2p5t h ARG 147 CO -0.10 0.68 -1.38 0.52 -1.07 0.00 0.00 179.97 178.62 2p5t h MET 148 N 1.06 0.38 -0.14 0.04 2.86 -1.38 -2.82 114.93 114.92 2p5t h MET 148 Ca 0.41 -0.65 0.05 0.00 -2.06 0.00 0.00 59.70 57.45 2p5t h MET 148 Cb 0.23 0.24 -0.06 0.00 0.06 0.00 0.00 31.60 32.07 2p5t h MET 148 CO -0.16 1.31 -0.27 1.25 1.06 0.00 0.00 176.91 180.09 2p5t h LEU 149 N -0.09 -0.85 -0.88 1.22 5.85 -1.21 -0.06 115.31 119.30 2p5t h LEU 149 Ca -0.27 0.13 0.23 0.00 0.84 0.00 0.00 57.88 58.82 2p5t h LEU 149 Cb 1.93 0.37 -0.14 0.00 0.37 0.00 0.00 40.66 43.20 2p5t h LEU 149 CO 0.17 -0.32 0.28 -0.33 -0.34 0.00 0.00 178.44 177.90 2p5t h GLU 150 N -0.34 0.25 -0.09 1.25 4.39 -1.09 0.15 114.58 119.11 2p5t h GLU 150 Ca 0.10 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.71 2p5t h GLU 150 Cb 0.49 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2p5t h GLU 150 CO -0.34 0.17 -0.24 0.82 -1.16 0.00 0.00 179.01 178.26 2p5t h ILE 151 N 0.26 1.41 -0.02 3.13 2.04 -1.12 -3.06 117.51 120.14 2p5t h ILE 151 Ca 0.55 -1.58 -0.22 0.00 1.00 0.00 0.00 64.86 64.62 2p5t h ILE 151 Cb 1.10 2.20 0.00 0.00 -0.74 0.00 0.00 36.82 39.38 2p5t h ILE 151 CO -0.62 0.45 -0.90 0.28 0.00 0.00 0.00 178.15 177.37 2p5t h SER 152 N -0.14 0.54 -0.82 1.72 0.02 -0.45 -2.93 113.55 111.49 2p5t h SER 152 Ca -0.00 -0.41 -0.01 0.00 -0.84 0.00 0.00 61.79 60.52 2p5t h SER 152 Cb 0.85 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.19 2p5t h SER 152 CO 0.05 1.20 0.47 -0.33 -1.14 0.00 0.00 176.83 177.08 2p5t h GLU 153 N 0.25 1.14 0.00 3.45 5.08 -0.84 -2.27 114.58 121.39 2p5t h GLU 153 Ca -0.07 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2p5t h GLU 153 Cb 1.52 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2p5t h GLU 153 CO 0.16 0.83 0.00 1.63 -1.00 0.00 0.00 179.01 180.62 2p5t n LYS 154 N -4.35 0.51 0.12 2.33 5.02 -1.14 -2.30 118.16 118.34 2p5t n LYS 154 Ca 0.09 0.03 0.12 0.00 -2.02 0.00 0.00 58.31 56.53 2p5t n LYS 154 Cb 0.09 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 33.78 2p5t n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2p5t h ARG 155 N 0.00 0.00 0.00 1.97 2.47 -1.23 -2.52 114.38 115.07 2p5t h ARG 155 Ca 0.00 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.64 2p5t h ARG 155 Cb 0.18 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.48 2p5t h ARG 155 CO 0.00 0.00 -0.65 0.52 0.56 0.00 0.00 179.97 180.40 2p5t h MET 156 N 0.00 0.00 0.07 0.04 2.86 -1.50 -3.42 114.93 112.97 2p5t h MET 156 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2p5t h MET 156 Cb 0.86 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.52 2p5t h MET 156 CO 0.00 0.43 -0.03 0.28 1.06 0.00 0.00 176.91 178.65 2p5t h VAL 157 N -1.00 1.19 -0.02 -2.22 2.07 -1.69 -3.53 116.25 111.05 2p5t h VAL 157 Ca -0.12 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 65.91 2p5t h VAL 157 Cb 0.76 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 2p5t h VAL 157 CO -0.07 0.34 0.00 0.00 0.02 0.00 0.00 177.57 177.86