#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p5t s ASN 68 N 0.00 3.57 0.33 -1.43 2.20 -1.26 -4.95 114.94 113.40 2p5t s ASN 68 Ca 0.00 -1.21 0.18 0.00 -0.94 0.00 0.00 52.86 50.90 2p5t s ASN 68 Cb 0.00 -0.32 1.19 0.00 -2.00 0.00 0.00 41.25 40.12 2p5t s ASN 68 CO 0.00 -0.24 1.39 -2.65 -2.94 0.00 0.00 177.10 172.66 2p5t n PRO 69 N -0.77 -0.05 -0.03 3.55 -0.02 -1.26 -0.49 135.00 135.93 2p5t n PRO 69 Ca -0.05 1.22 -0.16 0.00 -2.02 0.00 0.00 63.50 62.49 2p5t n PRO 69 Cb 0.64 -2.19 -0.12 0.00 -0.02 0.00 0.00 33.50 31.80 2p5t n PRO 69 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2p5t h VAL 70 N 0.00 1.62 -0.39 -1.45 2.07 -1.99 -2.60 116.25 113.52 2p5t h VAL 70 Ca 0.75 -2.16 0.08 0.00 0.82 0.00 0.00 66.70 66.19 2p5t h VAL 70 Cb 1.98 3.04 -0.08 0.00 -1.52 0.00 0.00 31.29 34.71 2p5t h VAL 70 CO -0.68 0.58 -0.18 -0.33 0.02 0.00 0.00 177.57 176.99 2p5t h GLU 71 N -0.65 -0.10 -1.00 1.57 4.39 -1.70 0.74 114.58 117.83 2p5t h GLU 71 Ca -0.04 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.70 2p5t h GLU 71 Cb 1.10 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.71 2p5t h GLU 71 CO 0.05 -0.07 0.66 0.22 -1.16 0.00 0.00 179.01 178.71 2p5t h ASP 72 N -0.11 1.10 -0.02 1.42 3.58 -0.86 0.11 116.42 121.65 2p5t h ASP 72 Ca 0.19 -0.01 -0.25 0.00 0.42 0.00 0.00 57.03 57.38 2p5t h ASP 72 Cb 0.40 -0.25 0.02 0.00 1.72 0.00 0.00 39.33 41.21 2p5t h ASP 72 CO -0.46 0.76 -0.96 0.22 -2.88 0.00 0.00 179.24 175.92 2p5t h TYR 73 N 1.28 1.03 -0.28 0.28 3.20 -1.09 -2.01 116.97 119.38 2p5t h TYR 73 Ca 0.40 -0.52 -0.01 0.00 3.14 0.00 0.00 58.73 61.73 2p5t h TYR 73 Cb -0.01 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 2p5t h TYR 73 CO -0.00 1.36 0.12 1.49 -1.64 0.00 0.00 178.16 179.49 2p5t h GLU 74 N 0.43 0.38 0.41 1.82 4.81 -0.15 0.24 114.58 122.52 2p5t h GLU 74 Ca -0.10 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 2p5t h GLU 74 Cb 1.60 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.91 2p5t h GLU 74 CO 0.19 0.31 -0.20 1.25 -0.73 0.00 0.00 179.01 179.83 2p5t h LEU 75 N 0.38 -0.47 -1.34 1.64 5.85 -0.75 -1.68 115.31 118.95 2p5t h LEU 75 Ca 0.10 -0.07 0.29 0.00 0.84 0.00 0.00 57.88 59.03 2p5t h LEU 75 Cb 0.06 0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.11 2p5t h LEU 75 CO -0.01 -0.20 0.68 0.74 -0.34 0.00 0.00 178.44 179.31 2p5t h THR 76 N -0.73 0.46 -0.31 1.05 2.02 -0.36 0.24 112.91 115.28 2p5t h THR 76 Ca -0.06 -0.12 -0.12 0.00 0.77 0.00 0.00 66.41 66.88 2p5t h THR 76 Cb 0.51 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 2p5t h THR 76 CO 0.09 0.07 -0.29 -0.07 0.37 0.00 0.00 175.52 175.69 2p5t h LEU 77 N 0.36 0.80 -0.58 2.58 3.38 -0.46 -1.44 115.31 119.95 2p5t h LEU 77 Ca 0.63 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 2p5t h LEU 77 Cb 1.64 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.14 2p5t h LEU 77 CO -0.33 1.09 0.12 0.11 0.09 0.00 0.00 178.44 179.53 2p5t h LYS 78 N 0.51 0.93 -0.71 1.13 1.79 0.11 -0.07 116.57 120.27 2p5t h LYS 78 Ca 0.05 -0.23 0.11 0.00 -2.18 0.00 0.00 60.65 58.40 2p5t h LYS 78 Cb 0.86 -0.12 -0.08 0.00 -1.58 0.00 0.00 32.23 31.31 2p5t h LYS 78 CO 0.07 0.88 0.32 0.82 -1.08 0.00 0.00 179.45 180.45 2p5t h ILE 79 N 0.84 0.76 0.71 1.86 1.08 -0.61 0.07 117.51 122.23 2p5t h ILE 79 Ca 0.18 -0.18 -0.03 0.00 -0.39 0.00 0.00 64.86 64.44 2p5t h ILE 79 Cb 0.37 0.21 0.01 0.00 -3.07 0.00 0.00 36.82 34.33 2p5t h ILE 79 CO 0.01 0.09 -0.34 -0.08 -0.69 0.00 0.00 178.15 177.14 2p5t h GLU 80 N 0.51 -0.92 -0.70 2.37 4.81 -0.83 -0.29 114.58 119.55 2p5t h GLU 80 Ca 0.37 0.06 0.13 0.00 -0.13 0.00 0.00 59.36 59.80 2p5t h GLU 80 Cb 0.47 0.21 -0.13 0.00 0.63 0.00 0.00 28.75 29.93 2p5t h GLU 80 CO -0.33 -0.59 -0.23 0.82 -0.73 0.00 0.00 179.01 177.95 2p5t h ILE 81 N -1.14 0.23 -0.11 2.32 2.04 -0.76 -0.97 117.51 119.13 2p5t h ILE 81 Ca -0.10 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 2p5t h ILE 81 Cb 0.76 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2p5t h ILE 81 CO 0.16 0.00 0.07 0.58 0.00 0.00 0.00 178.15 178.96 2p5t h VAL 82 N -0.05 1.05 -0.30 1.67 2.07 -0.95 -1.24 116.25 118.50 2p5t h VAL 82 Ca 0.32 -0.14 0.07 0.00 0.82 0.00 0.00 66.70 67.77 2p5t h VAL 82 Cb 0.54 0.95 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 2p5t h VAL 82 CO -0.74 0.05 -0.19 0.50 0.02 0.00 0.00 177.57 177.22 2p5t h LYS 83 N 0.12 -0.15 0.24 1.57 3.64 0.19 0.22 116.57 122.39 2p5t h LYS 83 Ca 0.04 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2p5t h LYS 83 Cb 0.02 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 2p5t h LYS 83 CO -0.01 -0.10 -0.26 0.93 -2.27 0.00 0.00 179.45 177.75 2p5t h GLU 84 N -0.15 -0.51 -1.00 1.90 4.39 -1.15 0.68 114.58 118.73 2p5t h GLU 84 Ca 0.16 0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.99 2p5t h GLU 84 Cb 0.40 0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 29.09 2p5t h GLU 84 CO -0.40 -0.34 0.64 -0.09 -1.16 0.00 0.00 179.01 177.66 2p5t h ARG 85 N -0.53 1.04 0.02 2.33 2.43 -0.83 -0.15 114.38 118.69 2p5t h ARG 85 Ca -0.00 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2p5t h ARG 85 Cb 0.50 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2p5t h ARG 85 CO -0.07 0.69 -0.01 0.78 -1.51 0.00 0.00 179.97 179.85 2p5t h GLY 86 N 1.07 -0.02 0.61 2.80 0.00 -0.20 -2.67 103.07 104.66 2p5t h GLY 86 Ca 0.47 0.01 0.09 0.00 0.00 0.00 0.00 47.33 47.90 2p5t h GLY 86 CO -0.22 -0.01 0.63 0.00 0.00 0.00 0.00 176.54 176.94 2p5t h ALA 87 N 0.61 1.44 -0.38 3.60 0.00 -0.21 0.74 119.26 125.05 2p5t h ALA 87 Ca -0.00 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.96 2p5t h ALA 87 Cb 0.36 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2p5t h ALA 87 CO 0.00 0.33 0.08 -0.91 0.00 0.00 0.00 179.25 178.76 2p5t h ASN 88 N 1.08 0.02 -0.34 0.00 2.35 -0.97 -1.67 115.58 116.05 2p5t h ASN 88 Ca 0.46 0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 56.15 2p5t h ASN 88 Cb 0.32 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 2p5t h ASN 88 CO -0.22 0.05 -0.25 -0.07 -1.65 0.00 0.00 177.43 175.29 2p5t h LEU 89 N 0.21 0.86 -0.42 1.61 3.38 -0.81 -2.45 115.31 117.69 2p5t h LEU 89 Ca 0.18 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2p5t h LEU 89 Cb 0.21 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2p5t h LEU 89 CO -0.24 1.07 0.23 0.25 0.09 0.00 0.00 178.44 179.84 2p5t h LEU 90 N 0.72 0.54 -1.33 1.67 5.85 -0.75 0.34 115.31 122.35 2p5t h LEU 90 Ca 0.09 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2p5t h LEU 90 Cb 0.79 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 2p5t h LEU 90 CO 0.07 0.48 0.40 0.28 -0.34 0.00 0.00 178.44 179.33 2p5t h SER 91 N 0.55 0.75 -0.39 1.25 0.02 -1.24 0.86 113.55 115.34 2p5t h SER 91 Ca 0.15 -0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 60.93 2p5t h SER 91 Cb 0.07 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2p5t h SER 91 CO -0.02 0.56 -0.31 0.03 -1.14 0.00 0.00 176.83 175.95 2p5t h ARG 92 N 0.87 0.91 -0.32 3.45 3.08 -0.94 -1.38 114.38 120.05 2p5t h ARG 92 Ca 0.23 -0.45 0.04 0.00 0.07 0.00 0.00 59.98 59.87 2p5t h ARG 92 Cb -0.07 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 2p5t h ARG 92 CO -0.05 1.10 0.10 -0.07 -1.07 0.00 0.00 179.97 179.99 2p5t h LEU 93 N 0.72 0.10 -1.07 3.04 3.38 0.32 0.12 115.31 121.93 2p5t h LEU 93 Ca 0.07 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2p5t h LEU 93 Cb 0.90 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 2p5t h LEU 93 CO 0.08 0.09 0.63 1.88 0.09 0.00 0.00 178.44 181.22 2p5t h TYR 94 N 0.24 1.19 -0.22 1.13 0.05 -0.78 0.33 116.97 118.91 2p5t h TYR 94 Ca 0.15 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.97 2p5t h TYR 94 Cb 0.13 -0.40 -0.02 0.00 1.01 0.00 0.00 36.73 37.45 2p5t h TYR 94 CO -0.14 0.73 0.11 0.00 -1.05 0.00 0.00 178.16 177.81 2p5t h ARG 95 N 1.27 0.23 -0.30 4.88 3.08 -0.58 -2.21 114.38 120.75 2p5t h ARG 95 Ca 0.36 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.36 2p5t h ARG 95 Cb -0.11 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 2p5t h ARG 95 CO -0.09 0.15 0.05 -0.92 -1.07 0.00 0.00 179.97 178.09 2p5t h TYR 96 N 0.24 0.54 -0.98 3.04 3.20 0.09 -2.87 116.97 120.23 2p5t h TYR 96 Ca 0.09 -0.08 0.02 0.00 3.14 0.00 0.00 58.73 61.90 2p5t h TYR 96 Cb 0.02 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.09 2p5t h TYR 96 CO -0.09 0.60 0.65 1.96 -1.64 0.00 0.00 178.16 179.63 2p5t h GLN 97 N 0.33 1.26 -0.40 1.82 4.20 -0.27 -2.50 115.11 119.55 2p5t h GLN 97 Ca 0.09 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.64 2p5t h GLN 97 Cb 0.35 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2p5t h GLN 97 CO 0.01 0.83 -0.11 -0.44 -0.67 0.00 0.00 178.83 178.45 2p5t h ASP 98 N 1.30 0.78 0.00 1.46 5.19 -1.41 -2.16 116.42 121.59 2p5t h ASP 98 Ca 0.37 -0.37 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2p5t h ASP 98 Cb -0.10 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.19 2p5t h ASP 98 CO -0.09 0.97 0.00 -1.54 -3.12 0.00 0.00 179.24 175.46 2p5t n SER 99 N -4.33 0.00 0.00 6.45 3.41 -0.96 -1.72 113.62 116.47 2p5t n SER 99 Ca -0.01 -0.73 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 2p5t n SER 99 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2p5t n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2p5t n GLN 100 N -0.74 4.02 -1.01 4.33 1.13 -1.01 -5.01 117.38 119.09 2p5t n GLN 100 Ca 0.06 -0.12 -0.00 0.00 -1.94 0.00 0.00 57.00 54.99 2p5t n GLN 100 Cb 0.03 -0.56 -0.00 0.00 0.11 0.00 0.00 30.24 29.81 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 0.61 0.41 3.62 1.08 0.00 -0.70 -4.97 105.19 105.23 2p5t n GLY 101 Ca 0.00 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.79 3.39 0.56 -0.61 1.01 -0.84 -4.96 121.20 117.96 2p5t s ILE 102 Ca 0.00 0.42 -0.20 0.00 0.00 0.00 0.00 60.65 60.87 2p5t s ILE 102 Cb 0.00 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 2p5t s ILE 102 CO 0.00 -0.22 1.09 -0.24 0.00 0.00 0.00 174.94 175.57 2p5t n SER 103 N 9.61 1.42 -0.18 3.58 2.88 -1.26 -4.68 113.62 124.99 2p5t n SER 103 Ca 0.23 0.88 -0.08 0.00 -1.33 0.00 0.00 58.87 58.57 2p5t n SER 103 Cb 0.45 -1.44 0.01 0.00 -0.75 0.00 0.00 64.21 62.48 2p5t n SER 103 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2p5t h ILE 104 N 0.88 1.21 -0.57 2.46 2.04 -1.98 -2.79 117.51 118.76 2p5t h ILE 104 Ca -0.49 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 64.76 2p5t h ILE 104 Cb 1.34 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 2p5t h ILE 104 CO 0.53 0.24 0.00 -0.90 0.00 0.00 0.00 178.15 178.02 2p5t n ASP 105 N -4.57 3.84 -3.36 1.72 5.75 -1.26 -4.73 116.55 113.94 2p5t n ASP 105 Ca 0.02 -2.26 -0.30 0.00 -0.01 0.00 0.00 54.79 52.24 2p5t n ASP 105 Cb 0.14 -0.49 -0.05 0.00 -1.03 0.00 0.00 41.12 39.68 2p5t n ASP 105 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2p5t n ASP 106 N 1.03 2.04 0.24 -1.12 -0.08 -1.05 -4.67 116.55 112.93 2p5t n ASP 106 Ca 0.21 -2.41 0.15 0.00 -1.51 0.00 0.00 54.79 51.23 2p5t n ASP 106 Cb 0.69 -0.80 0.78 0.00 2.34 0.00 0.00 41.12 44.13 2p5t n ASP 106 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2p5t h GLU 107 N 8.17 0.00 0.00 -0.67 5.08 -1.89 0.27 114.58 125.55 2p5t h GLU 107 Ca 0.30 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.58 2p5t h GLU 107 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2p5t h GLU 107 CO 1.67 0.00 -0.39 0.66 -1.00 0.00 0.00 179.01 179.94 2p5t h SER 108 N 0.00 0.00 -3.12 1.42 4.64 -2.00 -3.42 113.55 111.08 2p5t h SER 108 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 2p5t h SER 108 Cb 0.16 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 2p5t h SER 108 CO 0.00 0.39 0.67 0.21 -0.87 0.00 0.00 176.83 177.24 2p5t s ASN 109 N -6.51 7.09 0.56 4.97 3.84 0.95 -4.94 114.94 120.90 2p5t s ASN 109 Ca -0.00 1.75 0.27 0.00 0.21 0.00 0.00 52.86 55.08 2p5t s ASN 109 Cb 0.11 -2.56 1.47 0.00 -0.55 0.00 0.00 41.25 39.73 2p5t s ASN 109 CO 0.69 -0.56 2.00 -0.65 -2.79 0.00 0.00 177.10 175.80 2p5t h PRO 110 N 7.39 0.00 -0.19 0.43 0.11 -1.87 -0.53 132.00 137.33 2p5t h PRO 110 Ca -0.33 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.57 2p5t h PRO 110 Cb 1.16 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.27 2p5t h PRO 110 CO 0.88 0.00 -0.70 -1.49 -0.21 0.00 0.00 178.00 176.48 2p5t h TRP 111 N 0.00 1.04 -0.70 0.65 4.06 -1.93 -2.52 115.95 116.55 2p5t h TRP 111 Ca 0.20 -0.43 -0.01 0.00 2.06 0.00 0.00 58.89 60.71 2p5t h TRP 111 Cb 0.93 -0.17 -0.03 0.00 -1.00 0.00 0.00 29.16 28.88 2p5t h TRP 111 CO 0.00 1.26 0.38 0.82 -3.56 0.00 0.00 178.44 177.34 2p5t h ILE 112 N 0.57 1.22 -0.31 1.49 1.08 -1.39 -1.47 117.51 118.69 2p5t h ILE 112 Ca -0.03 -0.54 0.03 0.00 -0.39 0.00 0.00 64.86 63.93 2p5t h ILE 112 Cb 1.32 0.30 -0.03 0.00 -3.07 0.00 0.00 36.82 35.33 2p5t h ILE 112 CO 0.15 0.24 0.13 -0.07 -0.69 0.00 0.00 178.15 177.90 2p5t h LEU 113 N 0.96 0.17 -0.42 1.44 3.38 -1.35 0.31 115.31 119.79 2p5t h LEU 113 Ca 0.25 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 2p5t h LEU 113 Cb 0.04 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2p5t h LEU 113 CO -0.04 0.13 0.22 0.24 0.09 0.00 0.00 178.44 179.08 2p5t h MET 114 N 0.28 0.59 -0.84 1.13 2.86 -1.22 0.12 114.93 117.86 2p5t h MET 114 Ca 0.14 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2p5t h MET 114 Cb 0.08 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 2p5t h MET 114 CO -0.12 0.50 0.39 0.66 1.06 0.00 0.00 176.91 179.40 2p5t h SER 115 N 0.54 1.10 -0.20 1.22 4.64 -1.08 -1.84 113.55 117.92 2p5t h SER 115 Ca 0.15 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 2p5t h SER 115 Cb 0.09 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 2p5t h SER 115 CO -0.02 0.93 -0.07 0.44 -0.87 0.00 0.00 176.83 177.23 2p5t h ASP 116 N 1.19 0.41 0.65 4.97 3.32 -0.48 -0.17 116.42 126.31 2p5t h ASP 116 Ca 0.29 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 2p5t h ASP 116 Cb 0.13 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2p5t h ASP 116 CO -0.03 0.71 -0.36 -0.78 -1.72 0.00 0.00 179.24 177.06 2p5t h ASP 117 N 0.11 -0.87 -0.66 6.45 1.82 -0.68 -1.62 116.42 120.96 2p5t h ASP 117 Ca 0.05 0.04 0.14 0.00 -0.39 0.00 0.00 57.03 56.87 2p5t h ASP 117 Cb 0.54 0.24 -0.12 0.00 0.68 0.00 0.00 39.33 40.68 2p5t h ASP 117 CO 0.02 -0.57 -0.03 0.25 -1.61 0.00 0.00 179.24 177.30 2p5t h LEU 118 N -0.93 -0.36 -0.55 2.28 5.85 -1.41 -0.27 115.31 119.92 2p5t h LEU 118 Ca -0.09 0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.91 2p5t h LEU 118 Cb 0.73 0.32 -0.08 0.00 0.37 0.00 0.00 40.66 41.99 2p5t h LEU 118 CO 0.12 -0.15 0.10 -1.28 -0.34 0.00 0.00 178.44 176.88 2p5t h SER 119 N 0.09 -0.03 0.01 1.25 0.87 -0.95 -0.42 113.55 114.37 2p5t h SER 119 Ca 0.35 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 61.01 2p5t h SER 119 Cb 0.57 0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.69 2p5t h SER 119 CO -0.60 0.00 -0.00 0.44 -0.53 0.00 0.00 176.83 176.14 2p5t h ASP 120 N 0.23 0.00 0.00 6.23 5.19 -0.05 -1.53 116.42 126.49 2p5t h ASP 120 Ca 0.29 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.70 2p5t h ASP 120 Cb 0.41 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.92 2p5t h ASP 120 CO -0.38 0.00 -0.11 -0.07 -3.12 0.00 0.00 179.24 175.56 2p5t h LEU 121 N 0.00 0.00 -1.05 1.55 3.38 -0.52 -2.94 115.31 115.74 2p5t h LEU 121 Ca -0.00 -0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.23 2p5t h LEU 121 Cb 0.01 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.64 2p5t h LEU 121 CO 0.00 0.56 0.60 0.40 0.09 0.00 0.00 178.44 180.09 2p5t h ILE 122 N -1.00 0.51 -0.00 1.22 2.04 -1.14 0.06 117.51 119.20 2p5t h ILE 122 Ca -0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2p5t h ILE 122 Cb 0.11 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.12 2p5t h ILE 122 CO -0.00 0.10 -0.38 1.41 0.00 0.00 0.00 178.15 179.28 2p5t n HIS 123 N -4.87 0.00 0.19 1.37 8.25 -0.58 -4.78 115.22 114.80 2p5t n HIS 123 Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 2p5t n HIS 123 Cb 0.79 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.59 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 -1.47 0.00 0.16 1.59 -1.04 -0.68 -5.02 114.28 107.83 2p5t n THR 124 Ca 0.06 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.08 2p5t n THR 124 Cb 0.34 -0.24 0.28 0.00 -1.82 0.00 0.00 70.33 68.89 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 0.01 -0.62 8.00 2.35 -0.84 -2.99 115.58 121.49 2p5t h ASN 125 Ca 0.00 -0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 2p5t h ASN 125 Cb 0.00 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 2p5t h ASN 125 CO 0.00 0.48 0.02 0.40 -1.65 0.00 0.00 177.43 176.67 2p5t h ILE 126 N 0.01 1.27 0.00 2.81 1.08 -1.74 -1.52 117.51 119.42 2p5t h ILE 126 Ca -0.00 -1.14 -0.00 0.00 -0.39 0.00 0.00 64.86 63.32 2p5t h ILE 126 Cb 0.83 0.76 -0.00 0.00 -3.07 0.00 0.00 36.82 35.35 2p5t h ILE 126 CO 0.06 0.42 -0.02 1.88 -0.69 0.00 0.00 178.15 179.80 2p5t h TYR 127 N 1.00 0.00 -0.01 1.37 0.05 -1.79 -1.88 116.97 115.70 2p5t h TYR 127 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.96 2p5t h TYR 127 Cb 0.55 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.29 2p5t h TYR 127 CO 0.04 0.02 -0.26 1.28 -1.05 0.00 0.00 178.16 178.19 2p5t n LEU 128 N -3.26 1.57 -4.77 3.88 4.77 -0.59 -4.93 117.00 113.68 2p5t n LEU 128 Ca -0.02 -0.51 -0.41 0.00 -0.03 0.00 0.00 56.01 55.04 2p5t n LEU 128 Cb 0.15 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 2p5t n LEU 128 CO 0.24 0.28 1.00 -0.69 -1.33 0.00 0.00 177.39 176.89 2p5t s VAL 129 N -2.38 2.72 0.00 4.08 1.01 -0.71 -4.97 120.40 120.16 2p5t s VAL 129 Ca 0.25 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.93 2p5t s VAL 129 Cb 0.19 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 33.13 2p5t s VAL 129 CO 0.49 0.16 0.05 -0.62 0.00 0.00 0.00 175.10 175.18 2p5t n GLU 130 N 1.05 5.24 -4.10 2.72 -0.58 -1.26 -5.08 120.64 118.63 2p5t n GLU 130 Ca 0.01 -0.05 -0.12 0.00 -0.42 0.00 0.00 57.16 56.58 2p5t n GLU 130 Cb 0.42 -0.50 -0.11 0.00 -0.57 0.00 0.00 31.44 30.68 2p5t n GLU 130 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2p5t s THR 131 N -0.76 0.57 0.32 2.62 -4.23 -1.26 -5.04 115.64 107.85 2p5t s THR 131 Ca 0.00 -1.45 0.37 0.00 -1.18 0.00 0.00 61.69 59.43 2p5t s THR 131 Cb 0.00 -1.07 0.41 0.00 1.34 0.00 0.00 72.50 73.18 2p5t s THR 131 CO 0.00 -0.61 2.13 -0.26 -0.54 0.00 0.00 174.62 175.33 2p5t h PHE 132 N 3.82 0.00 -0.11 3.99 0.04 -2.00 -2.86 116.94 119.82 2p5t h PHE 132 Ca -0.35 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.31 2p5t h PHE 132 Cb 1.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 2p5t h PHE 132 CO 0.62 0.01 -0.35 -0.44 -0.60 0.00 0.00 178.31 177.54 2p5t h ASP 133 N 0.00 0.50 -0.96 2.17 5.19 -2.00 -2.87 116.42 118.45 2p5t h ASP 133 Ca -0.00 -0.61 0.12 0.00 -0.62 0.00 0.00 57.03 55.93 2p5t h ASP 133 Cb 0.33 -0.15 -0.08 0.00 0.18 0.00 0.00 39.33 39.61 2p5t h ASP 133 CO 0.00 1.02 0.61 -0.33 -3.12 0.00 0.00 179.24 177.43 2p5t h GLU 134 N 0.01 0.88 -0.12 3.56 5.08 -1.94 -1.62 114.58 120.43 2p5t h GLU 134 Ca -0.01 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2p5t h GLU 134 Cb 0.98 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2p5t h GLU 134 CO 0.08 0.58 0.07 0.82 -1.00 0.00 0.00 179.01 179.55 2p5t h ILE 135 N 0.90 1.09 -0.47 3.13 1.08 -1.53 -1.42 117.51 120.30 2p5t h ILE 135 Ca 0.48 -0.25 0.05 0.00 -0.39 0.00 0.00 64.86 64.74 2p5t h ILE 135 Cb 0.55 1.04 -0.03 0.00 -3.07 0.00 0.00 36.82 35.31 2p5t h ILE 135 CO -0.24 0.08 0.31 -0.33 -0.69 0.00 0.00 178.15 177.28 2p5t h GLU 136 N 0.10 0.43 -0.09 2.37 4.39 -1.09 0.13 114.58 120.83 2p5t h GLU 136 Ca 0.04 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 2p5t h GLU 136 Cb 0.08 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 2p5t h GLU 136 CO -0.01 0.29 -0.02 0.00 -1.16 0.00 0.00 179.01 178.11 2p5t h ARG 137 N 0.45 0.17 -0.17 2.33 3.08 -1.05 -1.55 114.38 117.64 2p5t h ARG 137 Ca 0.20 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 2p5t h ARG 137 Cb 0.22 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2p5t h ARG 137 CO -0.05 0.49 -0.10 1.88 -1.07 0.00 0.00 179.97 181.12 2p5t h TYR 138 N -0.17 0.27 0.07 3.04 0.05 -0.63 -1.97 116.97 117.64 2p5t h TYR 138 Ca 0.02 -0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 2p5t h TYR 138 Cb 0.43 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.09 2p5t h TYR 138 CO 0.05 0.36 -0.04 1.03 -1.05 0.00 0.00 178.16 178.52 2p5t h SER 139 N 0.25 -0.08 0.40 3.88 0.87 -0.61 -1.34 113.55 116.91 2p5t h SER 139 Ca 0.05 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2p5t h SER 139 Cb 0.33 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2p5t h SER 139 CO 0.02 0.34 0.00 1.23 -0.53 0.00 0.00 176.83 177.88 2p5t h GLY 140 N -0.52 0.00 0.48 5.77 0.00 -1.22 0.21 103.07 107.78 2p5t h GLY 140 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 2p5t h GLY 140 CO 0.02 0.00 -0.24 -1.82 0.00 0.00 0.00 176.54 174.50 2p5t h TYR 141 N 0.00 0.27 -0.19 5.60 3.20 -1.10 -2.36 116.97 122.38 2p5t h TYR 141 Ca 0.00 -0.14 0.02 0.00 3.14 0.00 0.00 58.73 61.76 2p5t h TYR 141 Cb 0.20 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 2p5t h TYR 141 CO 0.00 0.91 0.04 -0.07 -1.64 0.00 0.00 178.16 177.40 2p5t h LEU 142 N -0.46 0.02 -0.91 2.82 3.38 -0.55 -1.72 115.31 117.90 2p5t h LEU 142 Ca -0.03 0.03 0.22 0.00 0.09 0.00 0.00 57.88 58.19 2p5t h LEU 142 Cb 0.97 0.03 -0.17 0.00 0.09 0.00 0.00 40.66 41.58 2p5t h LEU 142 CO 0.05 0.04 -0.07 0.44 0.09 0.00 0.00 178.44 178.99 2p5t h ASP 143 N 0.13 -0.57 -0.10 -0.43 5.19 -0.69 0.68 116.42 120.62 2p5t h ASP 143 Ca 0.09 0.26 -0.00 0.00 -0.62 0.00 0.00 57.03 56.75 2p5t h ASP 143 Cb 0.08 0.48 -0.00 0.00 0.18 0.00 0.00 39.33 40.06 2p5t h ASP 143 CO -0.11 -0.29 0.06 1.23 -3.12 0.00 0.00 179.24 177.01 2p5t h GLY 144 N 0.03 0.15 0.45 2.75 0.00 -0.79 -2.24 103.07 103.42 2p5t h GLY 144 Ca 0.50 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 2p5t h GLY 144 CO -0.86 0.06 -0.49 -2.22 0.00 0.00 0.00 176.54 173.03 2p5t h ILE 145 N 0.09 0.05 -0.81 2.60 2.04 -0.31 -2.78 117.51 118.39 2p5t h ILE 145 Ca 0.04 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.08 2p5t h ILE 145 Cb 0.04 0.05 -0.11 0.00 -0.74 0.00 0.00 36.82 36.06 2p5t h ILE 145 CO -0.01 0.00 0.29 -0.08 0.00 0.00 0.00 178.15 178.35 2p5t h GLU 146 N -0.92 0.35 -0.78 2.37 4.81 -0.88 0.14 114.58 119.66 2p5t h GLU 146 Ca -0.04 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2p5t h GLU 146 Cb 0.83 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.08 2p5t h GLU 146 CO -0.11 0.23 0.50 0.00 -0.73 0.00 0.00 179.01 178.90 2p5t h ARG 147 N 0.36 0.96 -0.27 1.92 3.08 -1.20 0.25 114.38 119.48 2p5t h ARG 147 Ca 0.47 -0.06 -0.19 0.00 0.07 0.00 0.00 59.98 60.28 2p5t h ARG 147 Cb 0.82 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2p5t h ARG 147 CO -0.50 0.64 -0.57 0.52 -1.07 0.00 0.00 179.97 178.99 2p5t h MET 148 N 0.99 0.86 -0.56 0.04 2.86 -0.82 -2.99 114.93 115.31 2p5t h MET 148 Ca 0.31 -0.55 -0.08 0.00 -2.06 0.00 0.00 59.70 57.32 2p5t h MET 148 Cb -0.01 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 2p5t h MET 148 CO -0.10 1.19 0.05 1.25 1.06 0.00 0.00 176.91 180.36 2p5t h LEU 149 N 0.65 0.93 -1.10 1.22 5.85 -0.20 -2.71 115.31 119.95 2p5t h LEU 149 Ca 0.01 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 2p5t h LEU 149 Cb 1.17 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 2p5t h LEU 149 CO 0.12 0.97 0.23 -0.33 -0.34 0.00 0.00 178.44 179.10 2p5t h GLU 150 N 0.84 0.87 0.00 1.25 5.08 -0.57 -2.74 114.58 119.31 2p5t h GLU 150 Ca 0.17 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 2p5t h GLU 150 Cb 0.47 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2p5t h GLU 150 CO 0.02 0.72 -0.53 0.82 -1.00 0.00 0.00 179.01 179.03 2p5t h ILE 151 N 0.85 1.30 0.00 3.13 2.04 -1.37 -3.12 117.51 120.34 2p5t h ILE 151 Ca 0.20 -1.88 -0.18 0.00 1.00 0.00 0.00 64.86 64.00 2p5t h ILE 151 Cb 0.18 2.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 2p5t h ILE 151 CO -0.02 0.52 -0.85 0.28 0.00 0.00 0.00 178.15 178.08 2p5t h SER 152 N 0.00 0.00 1.78 1.72 0.02 -1.22 -3.02 113.55 112.83 2p5t h SER 152 Ca -0.01 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2p5t h SER 152 Cb 1.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.53 2p5t h SER 152 CO 0.07 0.85 -0.22 -0.33 -1.14 0.00 0.00 176.83 176.06 2p5t h GLU 153 N 0.00 0.00 0.00 3.45 5.08 -1.49 -3.08 114.58 118.53 2p5t h GLU 153 Ca -0.01 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 2p5t h GLU 153 Cb 1.62 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.85 2p5t h GLU 153 CO 0.11 0.12 -1.31 1.63 -1.00 0.00 0.00 179.01 178.56 2p5t n LYS 154 N -3.09 0.62 0.25 2.33 5.02 -1.18 -1.66 118.16 120.44 2p5t n LYS 154 Ca 0.03 0.19 0.15 0.00 -2.02 0.00 0.00 58.31 56.66 2p5t n LYS 154 Cb 0.59 -1.81 0.48 0.00 -0.02 0.00 0.00 35.03 34.26 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 3.08 -1.61 -3.14 114.38 114.69 2p5t h ARG 155 Ca -0.12 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.84 2p5t h ARG 155 Cb 1.43 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.46 2p5t h ARG 155 CO 0.03 0.03 -0.65 1.98 -1.07 0.00 0.00 179.97 180.29 2p5t h MET 156 N 0.00 0.00 -0.90 0.04 4.05 -1.43 -3.31 114.93 113.37 2p5t h MET 156 Ca -0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2p5t h MET 156 Cb 0.72 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.51 2p5t h MET 156 CO 0.00 0.54 0.01 0.28 0.23 0.00 0.00 176.91 177.97 2p5t n VAL 157 N -4.57 0.73 0.98 -5.77 0.31 -0.66 -5.10 118.33 104.26 2p5t n VAL 157 Ca -0.16 -0.35 0.08 0.00 -0.01 0.00 0.00 64.34 63.89 2p5t n VAL 157 Cb 0.42 -0.47 0.47 0.00 -0.91 0.00 0.00 33.84 33.35 2p5t n VAL 157 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51