#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vvc s LEU 88 N 0.00 2.15 0.32 3.14 1.43 -1.26 -4.50 118.68 119.96 2vvc s LEU 88 Ca 0.00 -0.40 0.26 0.00 -1.03 0.00 0.00 54.13 52.96 2vvc s LEU 88 Cb 0.00 -0.47 0.94 0.00 0.03 0.00 0.00 46.19 46.69 2vvc s LEU 88 CO 0.00 -0.00 1.77 0.00 0.23 0.00 0.00 176.35 178.35 2vvc n SER 90 N -2.51 1.42 -4.00 0.00 3.41 -1.26 -2.76 113.62 107.91 2vvc n SER 90 Ca 0.03 -1.74 -0.31 0.00 -0.26 0.00 0.00 58.87 56.59 2vvc n SER 90 Cb 0.33 -0.11 -0.15 0.00 -0.26 0.00 0.00 64.21 64.02 2vvc n SER 90 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2vvc s LEU 91 N -1.43 4.42 -1.40 1.04 2.96 -1.14 -4.75 118.68 118.39 2vvc s LEU 91 Ca 0.29 -2.04 -0.04 0.00 -0.22 0.00 0.00 54.13 52.12 2vvc s LEU 91 Cb 0.15 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.31 2vvc s LEU 91 CO 0.22 -0.37 0.29 0.47 -1.32 0.00 0.00 176.35 175.65 2vvc n ASP 92 N 4.32 -4.92 -3.49 3.68 8.00 -1.26 -2.37 116.55 120.51 2vvc n ASP 92 Ca 0.02 -0.12 -0.26 0.00 0.71 0.00 0.00 54.79 55.14 2vvc n ASP 92 Cb 0.42 -4.06 0.03 0.00 -0.02 0.00 0.00 41.12 37.49 2vvc n ASP 92 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2vvc n ASN 93 N -2.17 -5.19 -0.70 -2.24 5.15 -1.11 -0.14 115.26 108.86 2vvc n ASN 93 Ca -0.13 -0.51 -0.09 0.00 -0.60 0.00 0.00 54.58 53.25 2vvc n ASN 93 Cb 0.61 -4.17 -0.04 0.00 -0.53 0.00 0.00 39.78 35.66 2vvc n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2vvc n GLY 94 N -1.58 0.84 2.32 8.20 0.00 -1.00 0.07 105.19 114.04 2vvc n GLY 94 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 2vvc n GLY 94 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vvc n ASP 95 N -1.01 -3.98 -4.80 1.61 8.00 0.80 -5.01 116.55 112.16 2vvc n ASP 95 Ca -0.09 0.02 -0.34 0.00 0.71 0.00 0.00 54.79 55.09 2vvc n ASP 95 Cb 0.56 -1.56 -0.04 0.00 -0.02 0.00 0.00 41.12 40.05 2vvc n ASP 95 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vvc h ASP 97 N 1.76 0.16 0.00 0.00 5.19 -1.70 -3.46 116.42 118.37 2vvc h ASP 97 Ca -0.49 -0.14 0.00 0.00 -0.62 0.00 0.00 57.03 55.78 2vvc h ASP 97 Cb 1.21 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.67 2vvc h ASP 97 CO 0.60 0.97 0.00 0.00 -3.12 0.00 0.00 179.24 177.69 2vvc n GLN 98 N -3.59 0.00 -2.29 3.56 6.02 -1.26 -4.99 117.38 114.83 2vvc n GLN 98 Ca -0.03 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.57 2vvc n GLN 98 Cb 0.83 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 32.06 2vvc n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2vvc s PHE 99 N 2.72 3.14 -0.03 1.08 0.08 -0.36 -4.87 117.98 119.74 2vvc s PHE 99 Ca 0.00 1.55 0.04 0.00 0.12 0.00 0.00 56.93 58.64 2vvc s PHE 99 Cb 0.00 -3.43 -0.01 0.00 -0.57 0.00 0.00 43.02 39.02 2vvc s PHE 99 CO 0.00 -1.30 -0.15 0.00 -0.10 0.00 0.00 175.22 173.67 2vvc s HIS 101 N -0.08 0.09 -0.04 0.00 3.76 -0.33 -4.99 115.29 113.70 2vvc s HIS 101 Ca 0.00 -0.13 -0.24 0.00 -0.15 0.00 0.00 55.06 54.54 2vvc s HIS 101 Cb -0.09 -0.06 -0.04 0.00 1.11 0.00 0.00 32.58 33.50 2vvc s HIS 101 CO 0.01 -0.04 0.73 -1.21 -0.85 0.00 0.00 174.74 173.37 2vvc s GLU 102 N -0.36 4.45 -0.35 1.40 2.02 -1.26 0.23 118.70 124.83 2vvc s GLU 102 Ca -0.04 0.95 0.03 0.00 0.02 0.00 0.00 54.97 55.94 2vvc s GLU 102 Cb -0.02 -3.43 0.16 0.00 0.10 0.00 0.00 34.13 30.93 2vvc s GLU 102 CO -0.00 0.11 0.41 -2.00 0.02 0.00 0.00 175.26 173.79 2vvc s GLU 103 N 0.62 0.59 -0.40 1.61 2.12 0.18 -4.91 118.70 118.51 2vvc s GLU 103 Ca 0.39 -0.55 -0.00 0.00 0.36 0.00 0.00 54.97 55.16 2vvc s GLU 103 Cb -0.18 -0.54 -0.00 0.00 0.26 0.00 0.00 34.13 33.66 2vvc s GLU 103 CO 0.20 -1.15 0.33 1.04 -0.54 0.00 0.00 175.26 175.14 2vvc n GLN 104 N 4.55 -2.18 -1.28 4.30 1.13 -1.26 -3.43 117.38 119.22 2vvc n GLN 104 Ca 0.08 0.28 -0.10 0.00 -1.94 0.00 0.00 57.00 55.33 2vvc n GLN 104 Cb 0.47 -3.61 -0.04 0.00 0.11 0.00 0.00 30.24 27.18 2vvc n GLN 104 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2vvc n ASN 105 N -1.71 -4.72 -4.01 1.08 5.03 -1.26 -4.95 115.26 104.72 2vvc n ASN 105 Ca -0.10 0.24 -0.10 0.00 0.87 0.00 0.00 54.58 55.49 2vvc n ASN 105 Cb 0.56 -3.06 -0.07 0.00 -1.02 0.00 0.00 39.78 36.19 2vvc n ASN 105 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2vvc s SER 106 N -2.61 0.05 -0.09 6.41 0.01 -1.22 -3.50 113.70 112.76 2vvc s SER 106 Ca 0.00 -0.96 -0.12 0.00 1.31 0.00 0.00 55.95 56.18 2vvc s SER 106 Cb 0.00 0.45 -0.05 0.00 0.21 0.00 0.00 66.02 66.63 2vvc s SER 106 CO 0.00 -0.92 0.28 -0.69 0.41 0.00 0.00 173.24 172.32 2vvc s VAL 107 N -4.00 5.27 -0.16 3.43 1.01 -1.26 0.48 120.40 125.16 2vvc s VAL 107 Ca 0.21 0.54 0.01 0.00 0.00 0.00 0.00 61.98 62.74 2vvc s VAL 107 Cb 0.03 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.85 2vvc s VAL 107 CO 0.03 0.54 -0.16 -0.69 0.00 0.00 0.00 175.10 174.82 2vvc s VAL 108 N -0.60 1.74 0.34 2.92 1.01 0.14 -4.92 120.40 121.03 2vvc s VAL 108 Ca 0.19 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 2vvc s VAL 108 Cb -0.14 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 2vvc s VAL 108 CO 0.07 0.46 0.62 0.00 0.00 0.00 0.00 175.10 176.25 2vvc s SER 110 N -3.40 0.51 0.12 0.00 1.04 -0.37 -4.98 113.70 106.62 2vvc s SER 110 Ca 0.45 -1.29 0.04 0.00 0.48 0.00 0.00 55.95 55.62 2vvc s SER 110 Cb -0.10 0.69 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 2vvc s SER 110 CO 0.33 -1.35 -0.09 0.00 0.98 0.00 0.00 173.24 173.11 2vvc s ALA 112 N -3.17 1.62 0.34 0.00 0.00 -1.26 -4.94 121.76 114.36 2vvc s ALA 112 Ca 0.13 -0.19 -0.29 0.00 0.00 0.00 0.00 51.96 51.61 2vvc s ALA 112 Cb 0.02 -3.14 -0.11 0.00 0.00 0.00 0.00 23.12 19.89 2vvc s ALA 112 CO -0.01 -2.29 1.47 0.50 0.00 0.00 0.00 175.76 175.43 2vvc s ARG 113 N -5.02 4.16 0.00 0.00 3.52 -1.26 -2.24 118.95 118.11 2vvc s ARG 113 Ca 0.63 2.49 0.00 0.00 -0.13 0.00 0.00 55.73 58.72 2vvc s ARG 113 Cb -0.17 -3.01 0.00 0.00 -1.56 0.00 0.00 34.95 30.21 2vvc s ARG 113 CO 0.56 -0.48 0.00 0.41 -0.81 0.00 0.00 175.30 174.98 2vvc n GLY 114 N 0.96 0.62 3.26 8.12 0.00 -1.26 -4.61 105.19 112.27 2vvc n GLY 114 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 2vvc n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2vvc s TYR 115 N -2.43 1.55 -0.01 1.61 1.51 -0.95 -0.69 117.35 117.94 2vvc s TYR 115 Ca 0.00 -0.50 0.08 0.00 -1.01 0.00 0.00 57.07 55.64 2vvc s TYR 115 Cb 0.00 -0.81 -0.02 0.00 -0.11 0.00 0.00 41.96 41.01 2vvc s TYR 115 CO 0.00 0.19 -0.25 -0.08 -1.11 0.00 0.00 175.55 174.30 2vvc s THR 116 N -1.82 2.15 0.11 -0.71 -1.32 0.10 -4.76 115.64 109.40 2vvc s THR 116 Ca 0.09 -1.13 -0.31 0.00 -1.21 0.00 0.00 61.69 59.12 2vvc s THR 116 Cb -0.07 -1.76 -0.08 0.00 -1.51 0.00 0.00 72.50 69.08 2vvc s THR 116 CO 0.04 0.54 1.40 -0.22 -2.21 0.00 0.00 174.62 174.18 2vvc s LEU 117 N -0.74 4.37 1.01 9.08 2.96 -1.26 -0.94 118.68 133.16 2vvc s LEU 117 Ca 0.10 2.33 -0.11 0.00 -0.22 0.00 0.00 54.13 56.24 2vvc s LEU 117 Cb -0.10 -3.59 0.19 0.00 0.50 0.00 0.00 46.19 43.20 2vvc s LEU 117 CO -0.00 -0.67 1.08 0.00 -1.32 0.00 0.00 176.35 175.44 2vvc n ALA 118 N 4.04 -1.57 0.27 5.97 0.00 0.39 -4.84 120.51 124.77 2vvc n ALA 118 Ca 0.12 -0.77 0.11 0.00 0.00 0.00 0.00 53.44 52.90 2vvc n ALA 118 Cb 0.42 -2.12 0.76 0.00 0.00 0.00 0.00 19.45 18.52 2vvc n ALA 118 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2vvc h ASP 119 N -2.16 0.00 0.84 0.00 3.32 -1.94 -1.56 116.42 114.93 2vvc h ASP 119 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2vvc h ASP 119 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2vvc h ASP 119 CO 0.43 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.49 2vvc n ASN 120 N -4.23 0.02 0.00 6.45 0.23 -1.26 -4.87 115.26 111.60 2vvc n ASN 120 Ca -0.03 0.50 0.00 0.00 -0.53 0.00 0.00 54.58 54.53 2vvc n ASN 120 Cb 0.10 -0.51 0.00 0.00 -2.08 0.00 0.00 39.78 37.29 2vvc n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2vvc n GLY 121 N 0.97 0.67 0.55 4.83 0.00 -0.59 -4.83 105.19 106.79 2vvc n GLY 121 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 2vvc n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2vvc n LYS 122 N -2.62 0.06 -3.27 1.61 5.02 -1.26 -4.16 118.16 113.55 2vvc n LYS 122 Ca 0.00 0.02 -0.33 0.00 -2.02 0.00 0.00 58.31 55.98 2vvc n LYS 122 Cb 0.00 -0.78 -0.06 0.00 -0.02 0.00 0.00 35.03 34.17 2vvc n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2vvc s ALA 123 N -2.05 3.46 -0.25 7.82 0.00 -1.26 -1.95 121.76 127.52 2vvc s ALA 123 Ca -0.04 -0.09 -0.08 0.00 0.00 0.00 0.00 51.96 51.76 2vvc s ALA 123 Cb 0.01 -2.61 -0.03 0.00 0.00 0.00 0.00 23.12 20.49 2vvc s ALA 123 CO 0.05 0.42 0.08 0.00 0.00 0.00 0.00 175.76 176.31 2vvc s ILE 125 N 1.54 3.62 0.40 0.00 1.01 -0.12 -4.89 121.20 122.76 2vvc s ILE 125 Ca 0.06 -0.42 -0.25 0.00 0.00 0.00 0.00 60.65 60.04 2vvc s ILE 125 Cb -0.15 -2.64 -0.09 0.00 0.01 0.00 0.00 42.46 39.60 2vvc s ILE 125 CO 0.04 0.42 1.15 -2.84 0.00 0.00 0.00 174.94 173.71 2vvc s PRO 126 N 1.27 4.09 0.00 2.79 0.02 -1.26 0.01 135.00 141.91 2vvc s PRO 126 Ca 0.03 1.78 0.26 0.00 0.02 0.00 0.00 61.00 63.09 2vvc s PRO 126 Cb -0.14 -2.67 0.58 0.00 0.02 0.00 0.00 34.50 32.29 2vvc s PRO 126 CO -0.00 -0.27 1.47 0.25 -0.33 0.00 0.00 177.00 178.11 2vvc n THR 127 N 0.08 0.00 -3.77 0.99 -2.24 0.13 -4.86 114.28 104.61 2vvc n THR 127 Ca 0.04 -0.29 -0.09 0.00 -2.27 0.00 0.00 64.05 61.44 2vvc n THR 127 Cb 0.47 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 2vvc n THR 127 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vvc n GLY 128 N 1.30 1.61 0.18 3.38 0.00 -1.26 -5.07 105.19 105.34 2vvc n GLY 128 Ca 0.15 -1.35 0.06 0.00 0.00 0.00 0.00 46.02 44.87 2vvc n GLY 128 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vvc h PRO 129 N 0.00 0.00 -2.21 1.61 0.13 -1.98 -3.34 132.00 126.21 2vvc h PRO 129 Ca -0.25 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.31 2vvc h PRO 129 Cb 0.99 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.70 2vvc h PRO 129 CO 0.33 0.37 -0.75 0.66 -0.23 0.00 0.00 178.00 178.38 2vvc n TYR 130 N -3.42 3.12 -1.95 1.56 4.01 -1.26 -5.09 117.16 114.14 2vvc n TYR 130 Ca 0.00 -3.98 -0.36 0.00 -0.16 0.00 0.00 57.90 53.40 2vvc n TYR 130 Cb 0.55 -0.48 0.04 0.00 -0.31 0.00 0.00 39.34 39.13 2vvc n TYR 130 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2vvc s PRO 131 N -3.01 2.90 0.71 -0.72 0.04 -1.26 -4.93 135.00 128.73 2vvc s PRO 131 Ca 0.45 1.90 -0.16 0.00 0.04 0.00 0.00 61.00 63.24 2vvc s PRO 131 Cb 0.26 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.90 2vvc s PRO 131 CO -0.11 -1.28 1.22 0.00 0.04 0.00 0.00 177.00 176.87 2vvc n GLY 133 N 0.46 0.81 3.71 0.00 0.00 -1.26 -4.97 105.19 103.94 2vvc n GLY 133 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 2vvc n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vvc s LYS 134 N -0.34 4.19 0.60 1.61 -0.14 -1.15 -5.08 119.74 119.43 2vvc s LYS 134 Ca 0.00 -0.10 -0.19 0.00 -1.36 0.00 0.00 55.97 54.32 2vvc s LYS 134 Cb 0.00 -3.46 -0.03 0.00 -1.68 0.00 0.00 37.83 32.67 2vvc s LYS 134 CO 0.00 0.20 1.27 -0.65 -0.76 0.00 0.00 175.35 175.42 2vvc s GLN 135 N 0.61 2.85 -1.15 1.68 -0.21 -1.26 -4.90 119.66 117.28 2vvc s GLN 135 Ca 0.11 2.01 -0.09 0.00 0.02 0.00 0.00 55.36 57.41 2vvc s GLN 135 Cb -0.12 -1.97 0.25 0.00 1.00 0.00 0.00 33.01 32.17 2vvc s GLN 135 CO 0.02 -1.35 1.36 0.25 -2.12 0.00 0.00 175.29 173.45 2vvc n THR 136 N -1.58 4.69 -0.02 -0.19 -2.24 -1.26 -4.73 114.28 108.95 2vvc n THR 136 Ca 0.14 -5.29 -0.21 0.00 -2.27 0.00 0.00 64.05 56.41 2vvc n THR 136 Cb 0.48 -2.41 -0.13 0.00 -2.10 0.00 0.00 70.33 66.17 2vvc n THR 136 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2vvc n LEU 137 N 3.03 2.51 0.00 3.22 4.77 -1.26 -5.28 117.00 123.98 2vvc n LEU 137 Ca 0.29 0.23 0.04 0.00 -0.03 0.00 0.00 56.01 56.54 2vvc n LEU 137 Cb 0.38 -1.08 0.23 0.00 -2.33 0.00 0.00 43.42 40.62 2vvc n LEU 137 CO 0.61 0.75 0.46 -0.62 -1.33 0.00 0.00 177.39 177.26