#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi6 n SER 63 N 0.00 1.95 -0.33 1.61 7.64 -1.26 -4.53 113.62 118.69 1wi6 n SER 63 Ca 0.00 0.32 0.05 0.00 1.01 0.00 0.00 58.87 60.25 1wi6 n SER 63 Cb 0.00 -0.80 0.12 0.00 -1.01 0.00 0.00 64.21 62.52 1wi6 n SER 63 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1wi6 h SER 64 N -0.96 -0.88 -0.50 6.43 0.87 -2.08 -3.45 113.55 112.98 1wi6 h SER 64 Ca -0.70 0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1wi6 h SER 64 Cb 1.63 0.58 0.00 0.00 -0.44 0.00 0.00 62.40 64.17 1wi6 h SER 64 CO -0.41 -0.31 0.00 0.61 -0.53 0.00 0.00 176.83 176.19 1wi6 n GLY 65 N -1.59 4.50 3.87 5.77 0.00 -1.26 -5.09 105.19 111.39 1wi6 n GLY 65 Ca 0.14 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 1wi6 n GLY 65 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wi6 s SER 66 N 0.00 6.50 -0.16 1.61 0.15 -1.26 -4.86 113.70 115.66 1wi6 s SER 66 Ca 0.00 0.59 -0.19 0.00 0.70 0.00 0.00 55.95 57.06 1wi6 s SER 66 Cb 0.00 -2.12 -0.16 0.00 -1.71 0.00 0.00 66.02 62.04 1wi6 s SER 66 CO 0.00 0.39 0.27 0.77 1.20 0.00 0.00 173.24 175.87 1wi6 h SER 67 N 4.91 0.00 -2.80 5.45 4.64 -1.88 -3.45 113.55 120.42 1wi6 h SER 67 Ca -0.54 -0.49 -0.54 0.00 -0.47 0.00 0.00 61.79 59.75 1wi6 h SER 67 Cb 1.23 0.00 0.23 0.00 -0.31 0.00 0.00 62.40 63.54 1wi6 h SER 67 CO 0.59 1.11 -1.14 0.61 -0.87 0.00 0.00 176.83 177.13 1wi6 n GLY 68 N 1.56 -3.17 3.07 -0.77 0.00 -1.26 -4.28 105.19 100.34 1wi6 n GLY 68 Ca -0.18 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 1wi6 n GLY 68 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wi6 s ILE 69 N -2.22 0.33 -0.12 -0.61 -5.25 -0.40 -1.76 121.20 111.17 1wi6 s ILE 69 Ca 0.49 -1.45 0.00 0.00 -0.99 0.00 0.00 60.65 58.71 1wi6 s ILE 69 Cb -0.20 -1.03 0.02 0.00 2.95 0.00 0.00 42.46 44.20 1wi6 s ILE 69 CO 0.74 -0.73 -0.12 -0.22 -1.79 0.00 0.00 174.94 172.83 1wi6 s LEU 70 N -2.29 1.50 0.01 0.37 2.96 -0.14 -3.39 118.68 117.69 1wi6 s LEU 70 Ca -0.02 -0.39 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 1wi6 s LEU 70 Cb -0.01 -1.01 -0.04 0.00 0.50 0.00 0.00 46.19 45.63 1wi6 s LEU 70 CO -0.05 -0.06 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.26 1wi6 s ILE 71 N 1.42 3.92 -0.04 6.68 1.01 -1.17 -2.38 121.20 130.63 1wi6 s ILE 71 Ca 0.02 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 59.98 1wi6 s ILE 71 Cb -0.13 -2.74 0.01 0.00 0.01 0.00 0.00 42.46 39.60 1wi6 s ILE 71 CO -0.07 0.36 -0.11 -0.13 0.00 0.00 0.00 174.94 174.99 1wi6 s ARG 72 N -1.56 1.29 0.00 2.79 0.52 -0.91 -3.61 118.95 117.47 1wi6 s ARG 72 Ca 0.19 -0.37 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 1wi6 s ARG 72 Cb -0.11 -1.14 0.00 0.00 0.52 0.00 0.00 34.95 34.21 1wi6 s ARG 72 CO 0.10 0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.93 1wi6 n GLY 73 N 3.46 -0.02 3.84 -3.53 0.00 -1.02 -2.89 105.19 105.03 1wi6 n GLY 73 Ca -0.20 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 1wi6 n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wi6 s LEU 74 N -0.90 3.96 0.84 0.99 1.43 -0.97 -4.85 118.68 119.18 1wi6 s LEU 74 Ca 0.00 -0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 1wi6 s LEU 74 Cb 0.00 -2.57 0.10 0.00 0.03 0.00 0.00 46.19 43.75 1wi6 s LEU 74 CO 0.00 0.08 1.09 -2.16 0.23 0.00 0.00 176.35 175.59 1wi6 s PRO 75 N -3.06 1.70 0.00 1.29 0.04 -1.26 -4.92 135.00 128.78 1wi6 s PRO 75 Ca 0.32 0.97 0.17 0.00 0.04 0.00 0.00 61.00 62.51 1wi6 s PRO 75 Cb -0.11 -1.85 0.82 0.00 0.04 0.00 0.00 34.50 33.41 1wi6 s PRO 75 CO 0.25 -1.98 1.53 0.41 0.04 0.00 0.00 177.00 177.25 1wi6 n GLY 76 N -1.16 -0.96 0.24 0.56 0.00 -1.26 -2.27 105.19 100.33 1wi6 n GLY 76 Ca 0.08 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1wi6 n GLY 76 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wi6 n ASP 77 N -1.37 2.64 -4.62 1.61 9.92 -1.26 -5.02 116.55 118.44 1wi6 n ASP 77 Ca 0.07 -2.98 -0.43 0.00 -0.53 0.00 0.00 54.79 50.92 1wi6 n ASP 77 Cb 0.16 -0.42 -0.03 0.00 -0.64 0.00 0.00 41.12 40.20 1wi6 n ASP 77 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1wi6 s VAL 78 N -2.70 3.25 0.33 2.53 0.11 -0.96 -4.97 120.40 117.98 1wi6 s VAL 78 Ca 0.32 0.27 0.10 0.00 -2.93 0.00 0.00 61.98 59.74 1wi6 s VAL 78 Cb 0.27 -3.27 -0.06 0.00 -1.53 0.00 0.00 36.38 31.79 1wi6 s VAL 78 CO 0.04 -0.12 -0.12 0.28 -3.33 0.00 0.00 175.10 171.85 1wi6 s THR 79 N 6.36 2.29 0.50 5.04 -1.32 -1.26 -4.93 115.64 122.32 1wi6 s THR 79 Ca 0.87 -2.25 0.23 0.00 -1.21 0.00 0.00 61.69 59.33 1wi6 s THR 79 Cb -0.32 -2.56 0.39 0.00 -1.51 0.00 0.00 72.50 68.50 1wi6 s THR 79 CO 0.35 -0.25 1.96 0.78 -2.21 0.00 0.00 174.62 175.25 1wi6 h ASN 80 N 2.08 0.12 -0.06 8.08 4.21 -1.96 0.14 115.58 128.19 1wi6 h ASN 80 Ca -0.41 0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.02 1wi6 h ASN 80 Cb 1.25 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 38.42 1wi6 h ASN 80 CO 0.68 0.06 -0.18 -0.61 -1.29 0.00 0.00 177.43 176.09 1wi6 h GLN 81 N 0.13 0.44 -0.37 0.81 5.75 -1.98 -1.51 115.11 118.38 1wi6 h GLN 81 Ca 0.31 -0.14 -0.03 0.00 -0.15 0.00 0.00 58.65 58.64 1wi6 h GLN 81 Cb 1.04 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.54 1wi6 h GLN 81 CO -0.04 0.61 0.12 1.49 -2.65 0.00 0.00 178.83 178.35 1wi6 h GLU 82 N 0.40 0.57 -0.38 1.69 4.57 -1.11 -0.70 114.58 119.61 1wi6 h GLU 82 Ca 0.07 -0.12 -0.15 0.00 -1.18 0.00 0.00 59.36 57.98 1wi6 h GLU 82 Cb 0.55 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 1wi6 h GLU 82 CO 0.04 0.58 -0.35 -0.39 -1.18 0.00 0.00 179.01 177.71 1wi6 h VAL 83 N 0.45 1.27 -0.16 0.32 -1.51 -1.42 -2.15 116.25 113.05 1wi6 h VAL 83 Ca 0.12 -1.52 -0.01 0.00 -1.23 0.00 0.00 66.70 64.06 1wi6 h VAL 83 Cb 0.25 1.35 -0.01 0.00 -2.13 0.00 0.00 31.29 30.75 1wi6 h VAL 83 CO -0.00 0.51 0.07 0.45 -1.23 0.00 0.00 177.57 177.36 1wi6 h HIS 84 N 0.74 0.24 -0.66 5.19 3.86 -1.15 -1.80 115.15 121.58 1wi6 h HIS 84 Ca 0.07 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 1wi6 h HIS 84 Cb 0.93 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 29.29 1wi6 h HIS 84 CO 0.06 0.30 0.28 0.22 0.86 0.00 0.00 177.93 179.64 1wi6 h ASP 85 N 0.11 0.88 -0.78 2.45 3.58 -1.13 0.30 116.42 121.84 1wi6 h ASP 85 Ca 0.05 -0.11 -0.05 0.00 0.42 0.00 0.00 57.03 57.34 1wi6 h ASP 85 Cb 0.16 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.95 1wi6 h ASP 85 CO -0.01 0.78 0.29 0.25 -2.88 0.00 0.00 179.24 177.67 1wi6 h LEU 86 N 0.95 1.10 -3.64 2.28 5.85 -1.15 -2.94 115.31 117.75 1wi6 h LEU 86 Ca 0.23 -0.18 -0.43 0.00 0.84 0.00 0.00 57.88 58.33 1wi6 h LEU 86 Cb 0.16 -0.29 -0.27 0.00 0.37 0.00 0.00 40.66 40.64 1wi6 h LEU 86 CO -0.02 0.99 -0.13 0.18 -0.34 0.00 0.00 178.44 179.11 1wi6 n LEU 87 N -4.27 5.23 -0.52 2.25 4.77 -0.70 -4.68 117.00 119.10 1wi6 n LEU 87 Ca 0.07 -4.25 0.01 0.00 -0.03 0.00 0.00 56.01 51.81 1wi6 n LEU 87 Cb 0.20 -0.61 0.05 0.00 -2.33 0.00 0.00 43.42 40.73 1wi6 n LEU 87 CO 0.41 1.62 0.40 -0.24 -1.33 0.00 0.00 177.39 178.24 1wi6 n SER 88 N -0.93 1.25 -0.03 -1.43 2.88 0.10 -3.17 113.62 112.30 1wi6 n SER 88 Ca 0.44 -2.08 0.01 0.00 -1.33 0.00 0.00 58.87 55.91 1wi6 n SER 88 Cb 0.94 -0.38 -0.08 0.00 -0.75 0.00 0.00 64.21 63.94 1wi6 n SER 88 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1wi6 n ASP 89 N -0.02 2.49 -4.89 -3.46 9.92 -1.26 -5.03 116.55 114.30 1wi6 n ASP 89 Ca 0.03 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 54.05 1wi6 n ASP 89 Cb 0.28 1.16 -0.01 0.00 -0.64 0.00 0.00 41.12 41.90 1wi6 n ASP 89 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1wi6 s TYR 90 N -2.53 1.98 -0.50 1.24 1.51 -1.19 -5.07 117.35 112.79 1wi6 s TYR 90 Ca -0.04 -0.72 -0.27 0.00 -1.01 0.00 0.00 57.07 55.02 1wi6 s TYR 90 Cb 0.05 -2.00 0.03 0.00 -0.11 0.00 0.00 41.96 39.93 1wi6 s TYR 90 CO 0.44 -0.37 1.05 -1.21 -1.11 0.00 0.00 175.55 174.35 1wi6 s GLU 91 N -4.23 3.58 -0.89 -0.62 8.01 -1.26 -4.98 118.70 118.30 1wi6 s GLU 91 Ca 0.40 0.28 -0.19 0.00 0.01 0.00 0.00 54.97 55.46 1wi6 s GLU 91 Cb -0.02 -3.95 0.12 0.00 -4.31 0.00 0.00 34.13 25.97 1wi6 s GLU 91 CO 0.24 -1.39 1.11 -0.51 0.01 0.00 0.00 175.26 174.72 1wi6 s LEU 92 N 4.24 4.92 0.19 1.80 1.43 -1.26 -3.26 118.68 126.74 1wi6 s LEU 92 Ca 0.41 -1.88 -0.05 0.00 -1.03 0.00 0.00 54.13 51.58 1wi6 s LEU 92 Cb -0.09 -2.41 0.10 0.00 0.03 0.00 0.00 46.19 43.83 1wi6 s LEU 92 CO 0.28 -1.13 1.54 0.11 0.23 0.00 0.00 176.35 177.38 1wi6 h LYS 93 N 8.97 0.72 -3.30 1.70 1.79 -1.82 -3.44 116.57 121.19 1wi6 h LYS 93 Ca 0.10 -0.38 -0.24 0.00 -2.18 0.00 0.00 60.65 57.95 1wi6 h LYS 93 Cb 1.03 0.01 -0.31 0.00 -1.58 0.00 0.00 32.23 31.38 1wi6 h LYS 93 CO 1.13 0.99 -0.60 -0.47 -1.08 0.00 0.00 179.45 179.42 1wi6 s TYR 94 N -4.30 -0.15 -0.10 -1.35 5.04 -1.07 -5.03 117.35 110.39 1wi6 s TYR 94 Ca -0.09 0.44 0.02 0.00 -2.44 0.00 0.00 57.07 55.00 1wi6 s TYR 94 Cb 0.12 -0.07 0.01 0.00 0.35 0.00 0.00 41.96 42.38 1wi6 s TYR 94 CO 0.85 -0.14 -0.15 0.00 -1.34 0.00 0.00 175.55 174.77 1wi6 s PHE 96 N 0.87 -0.08 -0.17 0.00 5.36 -0.84 -5.04 117.98 118.08 1wi6 s PHE 96 Ca -0.09 0.30 0.01 0.00 -0.96 0.00 0.00 56.93 56.18 1wi6 s PHE 96 Cb -0.15 -0.10 0.03 0.00 -0.34 0.00 0.00 43.02 42.46 1wi6 s PHE 96 CO 0.01 -0.11 -0.12 0.08 -1.46 0.00 0.00 175.22 173.61 1wi6 s VAL 97 N 0.82 1.59 -0.60 3.12 1.01 -1.26 -1.70 120.40 123.37 1wi6 s VAL 97 Ca -0.07 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.07 1wi6 s VAL 97 Cb -0.09 -1.56 0.16 0.00 0.00 0.00 0.00 36.38 34.89 1wi6 s VAL 97 CO -0.03 0.34 0.46 -1.81 0.00 0.00 0.00 175.10 174.06 1wi6 s ASP 98 N 1.46 5.71 0.22 3.32 1.01 -0.10 -4.92 116.67 123.37 1wi6 s ASP 98 Ca 0.03 -2.47 -0.06 0.00 0.71 0.00 0.00 52.55 50.76 1wi6 s ASP 98 Cb -0.14 -1.98 0.19 0.00 1.01 0.00 0.00 42.92 42.00 1wi6 s ASP 98 CO -0.10 -0.53 1.70 0.07 0.21 0.00 0.00 175.17 176.53 1wi6 h LYS 99 N 7.71 0.97 -0.10 8.23 2.10 -1.92 -0.77 116.57 132.80 1wi6 h LYS 99 Ca -0.06 -0.28 0.03 0.00 -2.00 0.00 0.00 60.65 58.35 1wi6 h LYS 99 Cb 1.02 -0.11 -0.06 0.00 -0.90 0.00 0.00 32.23 32.18 1wi6 h LYS 99 CO 0.77 0.94 -0.48 1.88 -2.00 0.00 0.00 179.45 180.56 1wi6 h TYR 100 N 0.90 -1.38 -0.12 0.07 0.05 -1.91 0.17 116.97 114.74 1wi6 h TYR 100 Ca 0.17 0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.98 1wi6 h TYR 100 Cb 0.49 0.62 -0.01 0.00 1.01 0.00 0.00 36.73 38.83 1wi6 h TYR 100 CO 0.03 -0.52 0.03 1.63 -1.05 0.00 0.00 178.16 178.28 1wi6 n LYS 101 N -5.44 1.58 -3.38 4.88 4.76 -1.20 -4.84 118.16 114.51 1wi6 n LYS 101 Ca -0.05 -0.56 -0.21 0.00 -2.87 0.00 0.00 58.31 54.62 1wi6 n LYS 101 Cb 0.38 -1.53 -0.04 0.00 -1.84 0.00 0.00 35.03 32.00 1wi6 n LYS 101 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wi6 n GLY 102 N 0.14 -0.41 3.23 0.72 0.00 0.58 -4.82 105.19 104.62 1wi6 n GLY 102 Ca 0.07 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 1wi6 n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wi6 s THR 103 N -2.49 0.21 -0.06 2.61 -4.23 -0.31 -2.29 115.64 109.08 1wi6 s THR 103 Ca 0.41 -1.98 -0.02 0.00 -1.18 0.00 0.00 61.69 58.91 1wi6 s THR 103 Cb -0.24 -2.44 0.03 0.00 1.34 0.00 0.00 72.50 71.20 1wi6 s THR 103 CO 0.50 -0.11 0.12 0.00 -0.54 0.00 0.00 174.62 174.60 1wi6 s ALA 104 N -4.00 -0.21 -0.20 3.99 0.00 -1.24 -0.92 121.76 119.18 1wi6 s ALA 104 Ca 0.35 0.58 -0.05 0.00 0.00 0.00 0.00 51.96 52.85 1wi6 s ALA 104 Cb 0.07 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 1wi6 s ALA 104 CO 0.10 -0.14 -0.02 -0.06 0.00 0.00 0.00 175.76 175.65 1wi6 s PHE 105 N 1.04 3.01 0.00 0.00 0.08 -0.69 -3.07 117.98 118.36 1wi6 s PHE 105 Ca -0.08 -0.56 0.05 0.00 0.12 0.00 0.00 56.93 56.46 1wi6 s PHE 105 Cb -0.11 -2.07 -0.01 0.00 -0.57 0.00 0.00 43.02 40.25 1wi6 s PHE 105 CO -0.05 -0.30 -0.15 0.08 -0.10 0.00 0.00 175.22 174.70 1wi6 s VAL 106 N 1.06 1.19 -0.22 -0.44 1.01 -1.22 -2.00 120.40 119.78 1wi6 s VAL 106 Ca 0.02 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1wi6 s VAL 106 Cb -0.14 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.24 1wi6 s VAL 106 CO 0.01 0.25 -0.11 -0.89 0.00 0.00 0.00 175.10 174.36 1wi6 s THR 107 N -0.49 2.67 0.85 3.92 2.01 -0.74 -1.28 115.64 122.58 1wi6 s THR 107 Ca 0.05 -0.92 -0.08 0.00 0.31 0.00 0.00 61.69 61.04 1wi6 s THR 107 Cb -0.06 -2.27 0.18 0.00 0.01 0.00 0.00 72.50 70.36 1wi6 s THR 107 CO 0.00 0.34 1.16 0.18 -0.69 0.00 0.00 174.62 175.62 1wi6 n LEU 108 N 4.66 0.00 0.00 4.42 4.77 -1.26 -2.60 117.00 127.00 1wi6 n LEU 108 Ca -0.18 -1.80 0.00 0.00 -0.03 0.00 0.00 56.01 54.00 1wi6 n LEU 108 Cb 0.48 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1wi6 n LEU 108 CO 0.27 -1.21 0.15 -0.11 -1.33 0.00 0.00 177.39 175.15 1wi6 n LEU 109 N 0.00 0.08 0.00 2.23 7.94 -1.20 -4.74 117.00 121.31 1wi6 n LEU 109 Ca 0.17 0.63 -0.17 0.00 -1.11 0.00 0.00 56.01 55.53 1wi6 n LEU 109 Cb 0.59 -0.48 0.01 0.00 0.53 0.00 0.00 43.42 44.07 1wi6 n LEU 109 CO 0.41 -0.48 0.10 -0.46 -1.11 0.00 0.00 177.39 175.85 1wi6 n ASN 110 N -1.94 2.00 0.10 1.96 0.23 -1.26 -5.00 115.26 111.35 1wi6 n ASN 110 Ca 0.00 -2.23 -0.01 0.00 -0.53 0.00 0.00 54.58 51.81 1wi6 n ASN 110 Cb 0.00 -0.10 -0.03 0.00 -2.08 0.00 0.00 39.78 37.57 1wi6 n ASN 110 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1wi6 h GLY 111 N 0.35 0.00 0.87 4.83 0.00 -1.89 -3.30 103.07 103.93 1wi6 h GLY 111 Ca -0.22 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.13 1wi6 h GLY 111 CO 0.34 0.00 0.21 0.83 0.00 0.00 0.00 176.54 177.92 1wi6 h GLU 112 N 0.00 0.41 -0.05 4.80 5.08 -1.96 -1.45 114.58 121.42 1wi6 h GLU 112 Ca -0.03 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1wi6 h GLU 112 Cb 1.54 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 1wi6 h GLU 112 CO 0.08 0.27 -0.22 1.96 -1.00 0.00 0.00 179.01 180.11 1wi6 h GLN 113 N 0.43 0.07 -0.17 2.33 4.20 -1.99 -2.54 115.11 117.44 1wi6 h GLN 113 Ca 0.16 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 1wi6 h GLN 113 Cb 0.03 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1wi6 h GLN 113 CO -0.09 0.29 -0.06 0.00 -0.67 0.00 0.00 178.83 178.31 1wi6 h ALA 114 N 1.71 0.24 -0.37 3.87 0.00 -1.42 -1.76 119.26 121.55 1wi6 h ALA 114 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1wi6 h ALA 114 Cb 0.43 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1wi6 h ALA 114 CO 0.03 0.03 0.23 1.49 0.00 0.00 0.00 179.25 181.03 1wi6 h GLU 115 N 0.04 0.49 -0.37 0.00 4.81 -1.08 0.99 114.58 119.46 1wi6 h GLU 115 Ca 0.04 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1wi6 h GLU 115 Cb 0.52 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1wi6 h GLU 115 CO 0.02 0.34 0.23 0.00 -0.73 0.00 0.00 179.01 178.87 1wi6 h ALA 116 N 1.12 0.48 -0.47 2.92 0.00 -1.46 0.35 119.26 122.19 1wi6 h ALA 116 Ca 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1wi6 h ALA 116 Cb -0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1wi6 h ALA 116 CO -0.03 -0.03 0.13 0.00 0.00 0.00 0.00 179.25 179.33 1wi6 h ALA 117 N 1.10 0.61 -0.50 0.00 0.00 -1.08 -2.32 119.26 117.07 1wi6 h ALA 117 Ca 0.13 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1wi6 h ALA 117 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1wi6 h ALA 117 CO -0.03 0.28 -0.19 0.82 0.00 0.00 0.00 179.25 180.13 1wi6 h ILE 118 N 0.62 1.27 -0.66 0.00 2.04 -0.58 0.28 117.51 120.47 1wi6 h ILE 118 Ca 0.15 -1.36 0.03 0.00 1.00 0.00 0.00 64.86 64.69 1wi6 h ILE 118 Cb 0.29 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1wi6 h ILE 118 CO -0.00 0.47 0.41 -1.13 0.00 0.00 0.00 178.15 177.90 1wi6 h ASN 119 N 0.88 0.66 0.03 1.72 -0.73 -0.17 0.88 115.58 118.84 1wi6 h ASN 119 Ca 0.12 0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.25 1wi6 h ASN 119 Cb 0.77 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.23 1wi6 h ASN 119 CO 0.06 0.45 -0.18 0.74 -0.37 0.00 0.00 177.43 178.13 1wi6 h THR 120 N 0.79 1.71 0.00 -3.57 2.02 -1.33 -3.29 112.91 109.23 1wi6 h THR 120 Ca 0.27 -2.31 -0.03 0.00 0.77 0.00 0.00 66.41 65.12 1wi6 h THR 120 Cb 0.05 3.26 -0.00 0.00 -1.74 0.00 0.00 68.15 69.71 1wi6 h THR 120 CO -0.12 0.61 -0.12 -0.26 0.37 0.00 0.00 175.52 176.01 1wi6 h PHE 121 N -0.81 0.00 -4.29 3.16 0.04 -0.37 -3.42 116.94 111.25 1wi6 h PHE 121 Ca -0.03 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 60.23 1wi6 h PHE 121 Cb 1.11 0.00 0.12 0.00 2.20 0.00 0.00 35.95 39.38 1wi6 h PHE 121 CO 0.25 0.12 0.33 -1.58 -0.60 0.00 0.00 178.31 176.83 1wi6 s HIS 122 N -4.41 2.60 -1.85 -0.55 5.65 0.30 -3.37 115.29 113.66 1wi6 s HIS 122 Ca -0.04 1.55 -0.22 0.00 0.25 0.00 0.00 55.06 56.61 1wi6 s HIS 122 Cb 0.14 -3.07 0.22 0.00 -1.18 0.00 0.00 32.58 28.69 1wi6 s HIS 122 CO 0.61 -1.76 0.58 0.00 -0.65 0.00 0.00 174.74 173.52 1wi6 n GLN 123 N -3.27 -1.00 -3.66 2.88 10.64 -1.26 -4.91 117.38 116.80 1wi6 n GLN 123 Ca 0.09 0.16 -0.22 0.00 -1.83 0.00 0.00 57.00 55.20 1wi6 n GLN 123 Cb 0.53 -4.69 -0.02 0.00 -0.86 0.00 0.00 30.24 25.20 1wi6 n GLN 123 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1wi6 s SER 124 N -3.33 4.89 0.01 2.61 1.04 -1.22 -5.02 113.70 112.68 1wi6 s SER 124 Ca 0.77 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1wi6 s SER 124 Cb -0.45 -0.27 -0.01 0.00 0.10 0.00 0.00 66.02 65.40 1wi6 s SER 124 CO 1.02 -0.79 -0.01 -0.13 0.98 0.00 0.00 173.24 174.30 1wi6 s ARG 125 N -4.18 0.11 -0.05 4.02 0.52 -1.26 -1.97 118.95 116.15 1wi6 s ARG 125 Ca 0.45 -0.21 -0.02 0.00 -0.52 0.00 0.00 55.73 55.42 1wi6 s ARG 125 Cb -0.02 0.03 0.03 0.00 0.52 0.00 0.00 34.95 35.51 1wi6 s ARG 125 CO 0.26 -0.01 0.06 -1.17 0.02 0.00 0.00 175.30 174.46 1wi6 s LEU 126 N -0.50 0.19 -1.32 2.53 2.96 -0.54 -4.86 118.68 117.12 1wi6 s LEU 126 Ca -0.05 0.02 -0.05 0.00 -0.22 0.00 0.00 54.13 53.83 1wi6 s LEU 126 Cb -0.03 -0.17 0.02 0.00 0.50 0.00 0.00 46.19 46.51 1wi6 s LEU 126 CO -0.00 -0.25 0.99 0.54 -1.32 0.00 0.00 176.35 176.30 1wi6 n ARG 127 N 5.29 -6.47 -3.43 1.98 1.74 -1.26 -2.37 116.66 112.14 1wi6 n ARG 127 Ca -0.04 0.75 -0.18 0.00 -0.77 0.00 0.00 57.85 57.62 1wi6 n ARG 127 Cb 0.50 -5.66 0.09 0.00 -1.02 0.00 0.00 32.46 26.36 1wi6 n ARG 127 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1wi6 n GLU 128 N -4.50 -6.75 -3.84 5.56 1.02 -1.26 -5.02 120.64 105.85 1wi6 n GLU 128 Ca -0.15 0.83 -0.12 0.00 -0.02 0.00 0.00 57.16 57.70 1wi6 n GLU 128 Cb 0.62 -5.81 -0.10 0.00 -0.02 0.00 0.00 31.44 26.13 1wi6 n GLU 128 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1wi6 s ARG 129 N -5.51 0.45 -0.14 3.49 1.04 -1.00 -5.14 118.95 112.15 1wi6 s ARG 129 Ca 0.11 -0.22 -0.25 0.00 -1.04 0.00 0.00 55.73 54.33 1wi6 s ARG 129 Cb -0.05 0.20 -0.02 0.00 -2.04 0.00 0.00 34.95 33.04 1wi6 s ARG 129 CO 0.72 -0.11 0.83 -2.00 -0.04 0.00 0.00 175.30 174.70 1wi6 s GLU 130 N -1.04 4.33 -0.16 3.89 2.56 -1.26 -1.47 118.70 125.56 1wi6 s GLU 130 Ca -0.11 1.03 -0.06 0.00 0.00 0.00 0.00 54.97 55.83 1wi6 s GLU 130 Cb -0.06 -3.55 -0.04 0.00 2.00 0.00 0.00 34.13 32.48 1wi6 s GLU 130 CO 0.02 -0.26 0.06 -0.51 -0.56 0.00 0.00 175.26 174.01 1wi6 s LEU 131 N 1.90 3.85 -0.11 2.70 1.43 -0.83 -4.82 118.68 122.80 1wi6 s LEU 131 Ca 0.39 0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 53.59 1wi6 s LEU 131 Cb -0.17 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 1wi6 s LEU 131 CO 0.14 0.24 0.05 -0.55 0.23 0.00 0.00 176.35 176.46 1wi6 s SER 132 N -0.02 5.64 -0.02 2.29 0.15 -1.14 -4.05 113.70 116.55 1wi6 s SER 132 Ca 0.06 0.23 -0.00 0.00 0.70 0.00 0.00 55.95 56.94 1wi6 s SER 132 Cb -0.12 -1.73 0.03 0.00 -1.71 0.00 0.00 66.02 62.49 1wi6 s SER 132 CO 0.01 0.36 0.04 -0.69 1.20 0.00 0.00 173.24 174.15 1wi6 s VAL 133 N -0.75 -0.05 0.19 4.45 1.01 -1.26 -2.14 120.40 121.85 1wi6 s VAL 133 Ca 0.12 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.18 1wi6 s VAL 133 Cb -0.12 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 36.18 1wi6 s VAL 133 CO 0.03 0.08 0.40 0.00 0.00 0.00 0.00 175.10 175.60 1wi6 s GLN 134 N 0.98 1.32 0.46 2.72 -2.07 -1.00 -4.87 119.66 117.20 1wi6 s GLN 134 Ca -0.08 -1.11 -0.23 0.00 -1.82 0.00 0.00 55.36 52.11 1wi6 s GLN 134 Cb -0.12 0.44 -0.07 0.00 -1.09 0.00 0.00 33.01 32.17 1wi6 s GLN 134 CO -0.03 -0.52 1.20 -0.51 -1.32 0.00 0.00 175.29 174.11 1wi6 s LEU 135 N -2.96 4.04 0.19 2.60 1.43 -1.26 -0.97 118.68 121.75 1wi6 s LEU 135 Ca 0.17 2.40 -0.28 0.00 -1.03 0.00 0.00 54.13 55.38 1wi6 s LEU 135 Cb 0.01 -4.18 -0.08 0.00 0.03 0.00 0.00 46.19 41.96 1wi6 s LEU 135 CO 0.02 -0.96 0.86 -1.58 0.23 0.00 0.00 176.35 174.92 1wi6 s GLN 136 N -2.63 4.71 0.29 1.70 0.74 -0.72 -4.65 119.66 119.10 1wi6 s GLN 136 Ca 0.63 1.32 -0.29 0.00 0.05 0.00 0.00 55.36 57.07 1wi6 s GLN 136 Cb -0.31 -3.28 -0.10 0.00 1.10 0.00 0.00 33.01 30.42 1wi6 s GLN 136 CO 0.38 0.52 1.24 -1.25 -0.55 0.00 0.00 175.29 175.63 1wi6 s PRO 137 N -1.05 4.45 0.22 1.67 0.04 -1.26 -4.78 135.00 134.29 1wi6 s PRO 137 Ca 0.39 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.18 1wi6 s PRO 137 Cb -0.24 -3.13 -0.09 0.00 0.04 0.00 0.00 34.50 31.08 1wi6 s PRO 137 CO 0.29 -0.07 0.98 0.99 0.04 0.00 0.00 177.00 179.23 1wi6 s THR 138 N -0.89 4.02 -1.49 1.26 2.01 -1.26 -3.78 115.64 115.51 1wi6 s THR 138 Ca 0.49 1.95 -0.04 0.00 0.31 0.00 0.00 61.69 64.40 1wi6 s THR 138 Cb -0.37 -4.24 0.03 0.00 0.01 0.00 0.00 72.50 67.93 1wi6 s THR 138 CO 0.46 0.43 0.43 0.47 -0.69 0.00 0.00 174.62 175.73 1wi6 n ASP 139 N 1.69 -0.74 -4.75 3.53 8.00 -1.26 -4.87 116.55 118.14 1wi6 n ASP 139 Ca -0.01 -1.05 -0.38 0.00 0.71 0.00 0.00 54.79 54.06 1wi6 n ASP 139 Cb 0.47 -2.77 0.03 0.00 -0.02 0.00 0.00 41.12 38.83 1wi6 n ASP 139 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wi6 s ALA 140 N -3.88 2.87 -0.26 2.24 0.00 -1.25 -4.94 121.76 116.54 1wi6 s ALA 140 Ca 0.16 1.27 -0.29 0.00 0.00 0.00 0.00 51.96 53.10 1wi6 s ALA 140 Cb -0.09 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.50 1wi6 s ALA 140 CO 0.91 -1.24 1.14 -1.17 0.00 0.00 0.00 175.76 175.41 1wi6 s LEU 141 N -3.38 4.02 -0.20 0.00 0.20 -1.26 -4.92 118.68 113.14 1wi6 s LEU 141 Ca 0.69 1.29 -0.17 0.00 0.69 0.00 0.00 54.13 56.64 1wi6 s LEU 141 Cb -0.38 -3.54 -0.13 0.00 -0.43 0.00 0.00 46.19 41.71 1wi6 s LEU 141 CO 0.46 -0.83 -0.02 0.18 -0.29 0.00 0.00 176.35 175.84 1wi6 n LEU 142 N 6.80 1.86 -4.41 -0.68 4.32 -1.26 -4.82 117.00 118.82 1wi6 n LEU 142 Ca 0.13 0.47 -0.44 0.00 -0.02 0.00 0.00 56.01 56.15 1wi6 n LEU 142 Cb 0.46 -0.90 -0.09 0.00 -1.62 0.00 0.00 43.42 41.27 1wi6 n LEU 142 CO 0.57 0.06 -0.01 0.00 -1.22 0.00 0.00 177.39 176.80 1wi6 s SER 144 N 2.26 6.33 0.00 0.00 1.04 -1.26 -4.86 113.70 117.21 1wi6 s SER 144 Ca 0.04 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.85 1wi6 s SER 144 Cb -0.22 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1wi6 s SER 144 CO 0.08 0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.06 1wi6 n GLY 145 N 3.38 -1.25 3.56 7.32 0.00 -1.26 -5.06 105.19 111.89 1wi6 n GLY 145 Ca -0.14 0.51 -0.27 0.00 0.00 0.00 0.00 46.02 46.12 1wi6 n GLY 145 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wi6 s PRO 146 N 0.00 2.54 0.07 1.61 0.04 -1.26 -4.90 135.00 133.10 1wi6 s PRO 146 Ca 0.00 -0.47 -0.03 0.00 0.04 0.00 0.00 61.00 60.54 1wi6 s PRO 146 Cb 0.00 -5.10 -0.03 0.00 0.04 0.00 0.00 34.50 29.41 1wi6 s PRO 146 CO 0.00 -3.51 0.04 -1.12 0.04 0.00 0.00 177.00 172.45 1wi6 s SER 147 N 7.72 0.38 0.04 6.66 0.01 -1.26 -5.11 113.70 122.13 1wi6 s SER 147 Ca 0.70 -0.94 -0.35 0.00 1.31 0.00 0.00 55.95 56.66 1wi6 s SER 147 Cb -0.05 0.25 -0.18 0.00 0.21 0.00 0.00 66.02 66.24 1wi6 s SER 147 CO 0.02 -0.65 0.90 -1.54 0.41 0.00 0.00 173.24 172.38 1wi6 n SER 148 N 0.04 -0.26 0.00 2.44 3.41 -1.26 -5.27 113.62 112.72 1wi6 n SER 148 Ca -0.13 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.57 1wi6 n SER 148 Cb 0.62 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1wi6 n SER 148 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49