#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2epu s SER 94 N 0.00 6.37 0.02 1.61 0.15 -1.26 -4.91 113.70 115.68 2epu s SER 94 Ca 0.00 -0.27 -0.23 0.00 0.70 0.00 0.00 55.95 56.15 2epu s SER 94 Cb 0.00 -2.44 -0.17 0.00 -1.71 0.00 0.00 66.02 61.71 2epu s SER 94 CO 0.00 -1.18 1.41 0.77 1.20 0.00 0.00 173.24 175.44 2epu h SER 95 N 9.26 0.12 -3.77 5.45 4.64 -2.11 -3.45 113.55 123.68 2epu h SER 95 Ca -0.26 -0.36 -0.47 0.00 -0.47 0.00 0.00 61.79 60.23 2epu h SER 95 Cb 1.07 -0.03 0.18 0.00 -0.31 0.00 0.00 62.40 63.31 2epu h SER 95 CO 1.07 0.45 0.15 -0.83 -0.87 0.00 0.00 176.83 176.80 2epu s GLY 96 N -3.01 1.59 0.83 -0.77 0.00 -1.26 -5.02 107.32 99.68 2epu s GLY 96 Ca -0.15 -0.06 -0.12 0.00 0.00 0.00 0.00 44.72 44.40 2epu s GLY 96 CO 0.69 0.53 1.12 -0.45 0.00 0.00 0.00 173.10 174.99 2epu s SER 97 N -3.00 4.26 0.16 1.64 0.15 -1.26 -4.93 113.70 110.71 2epu s SER 97 Ca 0.66 1.12 -0.32 0.00 0.70 0.00 0.00 55.95 58.11 2epu s SER 97 Cb -0.21 -1.78 -0.17 0.00 -1.71 0.00 0.00 66.02 62.15 2epu s SER 97 CO 0.60 -2.10 0.90 -0.24 1.20 0.00 0.00 173.24 173.60 2epu n SER 98 N -3.49 0.12 -4.75 5.45 2.88 -1.26 -4.83 113.62 107.74 2epu n SER 98 Ca 0.07 1.15 -0.41 0.00 -1.33 0.00 0.00 58.87 58.34 2epu n SER 98 Cb 0.58 -1.06 -0.02 0.00 -0.75 0.00 0.00 64.21 62.96 2epu n SER 98 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2epu s GLY 99 N -0.42 2.25 -0.37 0.46 0.00 -1.26 -4.99 107.32 102.99 2epu s GLY 99 Ca 0.72 1.46 -0.03 0.00 0.00 0.00 0.00 44.72 46.88 2epu s GLY 99 CO 0.55 2.41 0.14 -1.59 0.00 0.00 0.00 173.10 174.62 2epu s THR 100 N -0.07 3.25 0.27 0.90 2.01 -1.26 -5.06 115.64 115.69 2epu s THR 100 Ca 0.61 -1.78 -0.18 0.00 0.31 0.00 0.00 61.69 60.65 2epu s THR 100 Cb -0.45 -3.09 0.07 0.00 0.01 0.00 0.00 72.50 69.03 2epu s THR 100 CO 0.47 -0.48 0.90 0.61 -0.69 0.00 0.00 174.62 175.43 2epu n GLY 101 N 4.62 0.79 3.93 4.40 0.00 -1.26 -5.17 105.19 112.50 2epu n GLY 101 Ca -0.06 -1.19 -0.25 0.00 0.00 0.00 0.00 46.02 44.51 2epu n GLY 101 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2epu s GLN 102 N -2.07 3.25 0.13 1.61 -2.07 -1.26 -5.04 119.66 114.21 2epu s GLN 102 Ca 0.19 -0.16 -0.13 0.00 -1.82 0.00 0.00 55.36 53.44 2epu s GLN 102 Cb -0.04 -2.47 0.02 0.00 -1.09 0.00 0.00 33.01 29.43 2epu s GLN 102 CO 0.08 -0.27 0.33 0.15 -1.32 0.00 0.00 175.29 174.27 2epu s LYS 103 N -4.66 1.04 0.00 9.60 1.02 -1.26 -5.03 119.74 120.46 2epu s LYS 103 Ca 0.48 -0.86 0.15 0.00 0.02 0.00 0.00 55.97 55.75 2epu s LYS 103 Cb -0.10 0.42 0.71 0.00 -0.52 0.00 0.00 37.83 38.34 2epu s LYS 103 CO 0.41 -0.39 1.41 -0.35 -0.92 0.00 0.00 175.35 175.52 2epu n PRO 104 N -0.18 0.16 -3.39 -1.68 -0.04 -1.26 -4.40 135.00 124.21 2epu n PRO 104 Ca -0.14 0.17 -0.14 0.00 -0.04 0.00 0.00 63.50 63.35 2epu n PRO 104 Cb 0.63 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.50 2epu n PRO 104 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2epu s PHE 105 N -2.66 -0.61 0.03 0.54 0.08 -1.25 -4.92 117.98 109.18 2epu s PHE 105 Ca 0.12 0.34 0.07 0.00 0.12 0.00 0.00 56.93 57.59 2epu s PHE 105 Cb 0.10 -0.23 -0.02 0.00 -0.57 0.00 0.00 43.02 42.30 2epu s PHE 105 CO 0.23 -0.78 -0.21 -2.00 -0.10 0.00 0.00 175.22 172.36 2epu s GLU 106 N 2.44 1.53 -1.24 0.44 2.12 -1.26 -0.09 118.70 122.63 2epu s GLU 106 Ca 0.10 -0.91 -0.10 0.00 0.36 0.00 0.00 54.97 54.43 2epu s GLU 106 Cb -0.15 -1.60 0.19 0.00 0.26 0.00 0.00 34.13 32.83 2epu s GLU 106 CO -0.21 0.42 1.72 0.00 -0.54 0.00 0.00 175.26 176.64 2epu n THR 108 N 3.39 -0.25 -0.27 0.00 5.66 -1.26 0.72 114.28 122.28 2epu n THR 108 Ca 0.37 1.36 -0.11 0.00 -3.05 0.00 0.00 64.05 62.62 2epu n THR 108 Cb 0.37 -2.22 -0.09 0.00 -1.55 0.00 0.00 70.33 66.84 2epu n THR 108 CO 0.00 0.00 0.00 0.45 -3.05 0.00 0.00 175.07 172.47 2epu h HIS 109 N 0.00 -1.68 0.00 1.09 3.86 -1.97 -3.35 115.15 113.10 2epu h HIS 109 Ca 0.60 0.10 -0.17 0.00 -1.16 0.00 0.00 60.37 59.74 2epu h HIS 109 Cb 1.74 0.82 -0.03 0.00 1.06 0.00 0.00 27.41 31.00 2epu h HIS 109 CO -0.01 -0.40 -1.61 0.00 0.86 0.00 0.00 177.93 176.77 2epu n GLY 111 N 2.72 0.86 3.65 0.00 0.00 0.22 -5.05 105.19 107.59 2epu n GLY 111 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 2epu n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2epu s LYS 112 N 0.00 4.10 0.33 1.61 2.47 -1.24 -4.66 119.74 122.35 2epu s LYS 112 Ca 0.00 1.38 -0.01 0.00 -1.56 0.00 0.00 55.97 55.78 2epu s LYS 112 Cb 0.00 -3.79 -0.04 0.00 -1.46 0.00 0.00 37.83 32.55 2epu s LYS 112 CO 0.00 -0.88 0.55 -1.54 0.16 0.00 0.00 175.35 173.64 2epu s SER 113 N 2.12 6.33 0.16 1.43 1.04 -1.26 0.49 113.70 124.01 2epu s SER 113 Ca 0.52 0.52 -0.10 0.00 0.48 0.00 0.00 55.95 57.37 2epu s SER 113 Cb -0.17 -2.06 -0.00 0.00 0.10 0.00 0.00 66.02 63.88 2epu s SER 113 CO 0.17 -0.26 0.31 -0.36 0.98 0.00 0.00 173.24 174.08 2epu s PHE 114 N -2.25 0.30 -0.11 5.02 0.40 0.87 -4.96 117.98 117.24 2epu s PHE 114 Ca 0.41 -0.66 -0.23 0.00 -0.60 0.00 0.00 56.93 55.85 2epu s PHE 114 Cb -0.10 0.01 -0.27 0.00 0.51 0.00 0.00 43.02 43.18 2epu s PHE 114 CO 0.35 -0.74 0.68 0.00 0.70 0.00 0.00 175.22 176.21 2epu h ARG 115 N 2.50 0.14 -6.54 0.44 3.08 -1.99 -3.32 114.38 108.70 2epu h ARG 115 Ca -0.31 -0.25 -0.64 0.00 0.07 0.00 0.00 59.98 58.85 2epu h ARG 115 Cb 1.23 0.09 -0.17 0.00 0.08 0.00 0.00 29.97 31.21 2epu h ARG 115 CO 0.47 1.12 -0.78 0.00 -1.07 0.00 0.00 179.97 179.71 2epu s ALA 116 N -2.36 2.73 0.04 0.04 0.00 -1.26 -4.73 121.76 116.22 2epu s ALA 116 Ca -0.19 -1.56 -0.14 0.00 0.00 0.00 0.00 51.96 50.07 2epu s ALA 116 Cb 0.01 -0.52 -0.06 0.00 0.00 0.00 0.00 23.12 22.55 2epu s ALA 116 CO 0.74 0.45 1.22 -0.22 0.00 0.00 0.00 175.76 177.95 2epu h LYS 117 N 3.08 -0.28 -0.50 0.00 3.64 -1.91 -2.93 116.57 117.67 2epu h LYS 117 Ca -0.47 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 58.98 2epu h LYS 117 Cb 1.21 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 33.03 2epu h LYS 117 CO 0.51 -0.19 -0.30 0.41 -2.27 0.00 0.00 179.45 177.61 2epu n GLY 118 N -1.19 -1.97 0.36 5.01 0.00 -1.26 0.63 105.19 106.77 2epu n GLY 118 Ca -0.03 0.72 0.06 0.00 0.00 0.00 0.00 46.02 46.77 2epu n GLY 118 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2epu n ASN 119 N -4.24 -0.36 0.04 1.61 4.13 -1.12 -0.59 115.26 114.73 2epu n ASN 119 Ca 0.01 1.71 -0.13 0.00 1.68 0.00 0.00 54.58 57.86 2epu n ASN 119 Cb 0.13 -0.52 -0.09 0.00 -1.54 0.00 0.00 39.78 37.76 2epu n ASN 119 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2epu h LEU 120 N 0.00 -0.11 -0.87 3.41 5.85 0.36 -3.02 115.31 120.92 2epu h LEU 120 Ca 0.48 -0.35 0.22 0.00 0.84 0.00 0.00 57.88 59.07 2epu h LEU 120 Cb 0.73 0.03 -0.15 0.00 0.37 0.00 0.00 40.66 41.63 2epu h LEU 120 CO -1.03 0.31 0.08 0.58 -0.34 0.00 0.00 178.44 178.04 2epu h VAL 121 N -0.55 0.23 -0.28 1.05 2.07 0.19 0.88 116.25 119.83 2epu h VAL 121 Ca -0.01 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 2epu h VAL 121 Cb 0.45 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2epu h VAL 121 CO 0.02 0.02 0.03 0.74 0.02 0.00 0.00 177.57 178.40 2epu h THR 122 N 0.10 1.16 -0.09 2.57 2.02 -0.98 -2.86 112.91 114.84 2epu h THR 122 Ca 0.51 -0.60 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 2epu h THR 122 Cb 1.00 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 68.33 2epu h THR 122 CO -0.75 0.21 -0.09 -0.74 0.37 0.00 0.00 175.52 174.52 2epu h HIS 123 N 0.41 0.26 -0.90 3.16 -0.00 0.84 -3.07 115.15 115.86 2epu h HIS 123 Ca 0.09 -0.08 0.23 0.00 -0.00 0.00 0.00 60.37 60.62 2epu h HIS 123 Cb 0.23 -0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 27.53 2epu h HIS 123 CO 0.01 0.65 0.62 1.96 -0.00 0.00 0.00 177.93 181.16 2epu h GLN 124 N -0.20 0.20 0.00 5.26 4.20 -0.86 0.27 115.11 123.98 2epu h GLN 124 Ca 0.01 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2epu h GLN 124 Cb 0.60 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2epu h GLN 124 CO 0.02 0.13 0.31 0.00 -0.67 0.00 0.00 178.83 178.62 2epu h ARG 125 N 0.21 0.00 -0.00 1.46 3.08 -1.42 0.43 114.38 118.14 2epu h ARG 125 Ca 0.45 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.34 2epu h ARG 125 Cb 1.44 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.47 2epu h ARG 125 CO -0.10 0.00 -0.78 -0.84 -1.07 0.00 0.00 179.97 177.18 2epu h ILE 126 N 0.00 1.54 0.00 2.04 3.07 -0.64 -3.32 117.51 120.21 2epu h ILE 126 Ca 0.00 -2.62 -0.00 0.00 1.55 0.00 0.00 64.86 63.79 2epu h ILE 126 Cb 0.62 2.42 0.00 0.00 -0.27 0.00 0.00 36.82 39.59 2epu h ILE 126 CO 0.00 0.75 -0.00 0.45 -1.05 0.00 0.00 178.15 178.30 2epu h HIS 127 N 0.02 -0.00 -0.78 0.16 3.86 -0.30 -3.46 115.15 114.65 2epu h HIS 127 Ca -0.01 -0.00 -0.69 0.00 -1.16 0.00 0.00 60.37 58.51 2epu h HIS 127 Cb 1.37 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.85 2epu h HIS 127 CO 0.00 0.92 0.54 0.25 0.86 0.00 0.00 177.93 180.50 2epu n THR 128 N -4.62 0.00 -2.67 2.45 -2.24 -1.07 -4.85 114.28 101.28 2epu n THR 128 Ca -0.09 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.43 2epu n THR 128 Cb 0.44 -0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 68.27 2epu n THR 128 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2epu n GLY 129 N 3.12 5.49 3.25 3.38 0.00 -1.26 -5.02 105.19 114.15 2epu n GLY 129 Ca 0.24 -2.64 -0.32 0.00 0.00 0.00 0.00 46.02 43.31 2epu n GLY 129 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2epu s GLU 130 N -3.45 2.72 -0.15 1.61 0.41 -1.26 -5.12 118.70 113.46 2epu s GLU 130 Ca 0.47 -0.89 -0.21 0.00 -0.41 0.00 0.00 54.97 53.92 2epu s GLU 130 Cb 0.36 -2.20 0.05 0.00 -1.78 0.00 0.00 34.13 30.57 2epu s GLU 130 CO -0.15 0.30 0.55 -1.59 -0.49 0.00 0.00 175.26 173.88 2epu s LYS 131 N 0.03 0.75 0.06 1.61 -2.85 -1.26 -5.18 119.74 112.91 2epu s LYS 131 Ca -0.09 0.52 0.02 0.00 -1.00 0.00 0.00 55.97 55.41 2epu s LYS 131 Cb -0.15 0.36 -0.03 0.00 -2.06 0.00 0.00 37.83 35.94 2epu s LYS 131 CO 0.06 -0.15 -0.07 -1.12 0.10 0.00 0.00 175.35 174.17 2epu s SER 132 N -0.28 0.89 0.00 0.03 0.01 -1.26 -5.10 113.70 107.99 2epu s SER 132 Ca -0.05 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.46 2epu s SER 132 Cb -0.03 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.27 2epu s SER 132 CO 0.03 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.95 2epu n GLY 133 N 0.79 -1.28 3.66 3.44 0.00 -1.26 -4.95 105.19 105.58 2epu n GLY 133 Ca -0.18 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 2epu n GLY 133 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2epu s PRO 134 N 0.00 0.02 -0.18 1.61 0.04 -1.26 -5.03 135.00 130.20 2epu s PRO 134 Ca 0.00 0.38 -0.11 0.00 0.04 0.00 0.00 61.00 61.31 2epu s PRO 134 Cb 0.00 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.79 2epu s PRO 134 CO 0.00 -2.98 0.19 -1.12 0.04 0.00 0.00 177.00 173.13 2epu s SER 135 N -3.54 6.30 -0.01 6.66 0.01 -1.26 -5.09 113.70 116.77 2epu s SER 135 Ca 0.67 0.34 0.06 0.00 1.31 0.00 0.00 55.95 58.33 2epu s SER 135 Cb -0.17 -2.12 -0.02 0.00 0.21 0.00 0.00 66.02 63.92 2epu s SER 135 CO 0.57 0.17 -0.20 -0.94 0.41 0.00 0.00 173.24 173.25 2epu s SER 136 N 0.31 2.34 0.00 2.44 1.04 -1.26 -5.27 113.70 113.29 2epu s SER 136 Ca 0.11 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.18 2epu s SER 136 Cb -0.12 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.74 2epu s SER 136 CO 0.00 0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.08