#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a90 s ALA 10 N 0.00 2.86 0.43 4.61 0.00 -1.26 -4.76 121.76 123.63 1a90 s ALA 10 Ca 0.00 0.34 -0.16 0.00 0.00 0.00 0.00 51.96 52.14 1a90 s ALA 10 Cb 0.00 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 1a90 s ALA 10 CO 0.00 -0.58 0.88 -1.25 0.00 0.00 0.00 175.76 174.81 1a90 s PRO 11 N -3.99 4.00 -0.10 0.00 0.04 -1.26 -4.30 135.00 129.39 1a90 s PRO 11 Ca 0.62 0.84 0.01 0.00 0.04 0.00 0.00 61.00 62.51 1a90 s PRO 11 Cb -0.14 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 1a90 s PRO 11 CO 0.33 -0.06 -0.13 0.08 0.04 0.00 0.00 177.00 177.26 1a90 s VAL 12 N -2.31 3.13 0.58 -0.36 1.01 -1.23 -4.96 120.40 116.25 1a90 s VAL 12 Ca 0.57 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.76 1a90 s VAL 12 Cb -0.10 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 1a90 s VAL 12 CO 0.23 0.55 1.02 -2.16 0.00 0.00 0.00 175.10 174.74 1a90 s PRO 13 N -0.07 3.68 1.06 2.72 0.04 -1.26 -1.40 135.00 139.77 1a90 s PRO 13 Ca -0.02 0.86 -0.12 0.00 0.04 0.00 0.00 61.00 61.76 1a90 s PRO 13 Cb -0.14 -2.09 0.21 0.00 0.04 0.00 0.00 34.50 32.51 1a90 s PRO 13 CO 0.04 -0.50 0.96 1.55 0.04 0.00 0.00 177.00 179.09 1a90 n VAL 14 N -2.29 0.00 -4.33 -0.36 3.14 -1.06 -4.85 118.33 108.59 1a90 n VAL 14 Ca 0.06 -0.24 -0.29 0.00 -2.96 0.00 0.00 64.34 60.91 1a90 n VAL 14 Cb 0.54 -0.95 -0.05 0.00 -1.06 0.00 0.00 33.84 32.32 1a90 n VAL 14 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1a90 s ASP 15 N -2.43 4.35 0.66 6.55 1.11 -1.26 -4.96 116.67 120.69 1a90 s ASP 15 Ca 0.66 -1.39 0.20 0.00 0.18 0.00 0.00 52.55 52.20 1a90 s ASP 15 Cb -0.23 0.25 1.09 0.00 1.07 0.00 0.00 42.92 45.10 1a90 s ASP 15 CO 0.63 -0.87 1.61 -0.33 1.18 0.00 0.00 175.17 177.39 1a90 h GLU 16 N 1.17 0.00 0.00 8.23 5.08 -2.05 -3.35 114.58 123.66 1a90 h GLU 16 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1a90 h GLU 16 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1a90 h GLU 16 CO 0.68 0.00 0.00 0.27 -1.00 0.00 0.00 179.01 178.96 1a90 n ASN 17 N -2.76 0.00 -3.09 1.42 6.94 -1.26 -5.08 115.26 111.42 1a90 n ASN 17 Ca -0.01 0.00 -0.18 0.00 -0.02 0.00 0.00 54.58 54.37 1a90 n ASN 17 Cb 0.59 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 38.03 1a90 n ASN 17 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1a90 n ASP 18 N -1.00 -7.04 0.32 0.53 2.03 -1.26 -4.60 116.55 105.53 1a90 n ASP 18 Ca 0.00 0.35 0.20 0.00 0.52 0.00 0.00 54.79 55.86 1a90 n ASP 18 Cb 0.00 -3.91 1.08 0.00 -0.72 0.00 0.00 41.12 37.56 1a90 n ASP 18 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1a90 h GLU 19 N 2.18 0.00 0.29 -0.67 4.11 -1.98 -2.22 114.58 116.29 1a90 h GLU 19 Ca -0.20 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.21 1a90 h GLU 19 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1a90 h GLU 19 CO 0.19 0.01 -0.14 0.78 0.07 0.00 0.00 179.01 179.92 1a90 h GLY 20 N 0.27 -0.41 0.67 1.06 0.00 -1.99 -0.95 103.07 101.73 1a90 h GLY 20 Ca -0.00 0.15 0.08 0.00 0.00 0.00 0.00 47.33 47.56 1a90 h GLY 20 CO 0.00 -0.15 0.63 -2.00 0.00 0.00 0.00 176.54 175.02 1a90 h LEU 21 N -0.83 0.99 -1.03 3.11 7.12 -1.75 0.06 115.31 122.98 1a90 h LEU 21 Ca -0.04 0.02 -0.04 0.00 0.13 0.00 0.00 57.88 57.94 1a90 h LEU 21 Cb 0.52 -0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 40.43 1a90 h LEU 21 CO 0.07 0.61 0.19 1.56 -0.13 0.00 0.00 178.44 180.74 1a90 h GLN 22 N 1.11 0.89 0.00 1.25 4.20 -1.35 0.52 115.11 121.74 1a90 h GLN 22 Ca 0.44 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1a90 h GLN 22 Cb 0.24 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1a90 h GLN 22 CO -0.19 0.77 0.00 0.00 -0.67 0.00 0.00 178.83 178.73 1a90 h ARG 23 N 0.87 0.00 0.07 1.46 3.08 0.39 -1.27 114.38 118.98 1a90 h ARG 23 Ca 0.20 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 1a90 h ARG 23 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1a90 h ARG 23 CO -0.01 0.00 -0.04 0.00 -1.07 0.00 0.00 179.97 178.85 1a90 h ALA 24 N 2.07 -0.10 -0.36 0.04 0.00 0.45 -2.17 119.26 119.19 1a90 h ALA 24 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1a90 h ALA 24 Cb 0.47 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1a90 h ALA 24 CO 0.00 -0.12 0.09 1.25 0.00 0.00 0.00 179.25 180.47 1a90 h LEU 25 N -0.97 0.48 -0.87 0.00 6.46 -1.26 -1.44 115.31 117.72 1a90 h LEU 25 Ca -0.01 -0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 57.64 1a90 h LEU 25 Cb 0.47 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 1a90 h LEU 25 CO 0.02 0.49 -0.23 1.56 -0.62 0.00 0.00 178.44 179.66 1a90 h GLN 26 N 0.52 0.00 0.16 1.25 4.20 -1.31 0.21 115.11 120.15 1a90 h GLN 26 Ca 0.12 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1a90 h GLN 26 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1a90 h GLN 26 CO -0.00 0.23 -0.08 0.35 -0.67 0.00 0.00 178.83 178.66 1a90 h PHE 27 N 0.00 -0.20 -0.18 2.96 3.04 -0.58 -0.99 116.94 120.98 1a90 h PHE 27 Ca -0.00 -0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.87 1a90 h PHE 27 Cb 0.85 0.07 -0.00 0.00 2.56 0.00 0.00 35.95 39.42 1a90 h PHE 27 CO 0.00 0.11 -0.19 0.00 -2.02 0.00 0.00 178.31 176.21 1a90 h ALA 28 N -0.67 0.27 -0.93 2.41 0.00 -1.54 -2.52 119.26 116.27 1a90 h ALA 28 Ca -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1a90 h ALA 28 Cb 0.41 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1a90 h ALA 28 CO 0.04 0.19 0.56 0.97 0.00 0.00 0.00 179.25 181.00 1a90 h ILE 29 N 0.10 1.26 -0.26 0.00 6.09 0.04 0.24 117.51 124.97 1a90 h ILE 29 Ca 0.03 -0.56 0.06 0.00 -1.37 0.00 0.00 64.86 63.01 1a90 h ILE 29 Cb 0.73 -0.05 -0.01 0.00 0.47 0.00 0.00 36.82 37.96 1a90 h ILE 29 CO 0.05 0.27 0.18 0.00 -3.07 0.00 0.00 178.15 175.58 1a90 h ALA 30 N 1.33 2.12 0.00 0.18 0.00 -1.03 0.30 119.26 122.16 1a90 h ALA 30 Ca 0.33 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.10 1a90 h ALA 30 Cb -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1a90 h ALA 30 CO -0.06 -0.19 -0.64 0.93 0.00 0.00 0.00 179.25 179.29 1a90 h GLU 31 N 0.10 0.00 -0.10 0.00 4.39 -0.15 -2.24 114.58 116.57 1a90 h GLU 31 Ca 0.12 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 1a90 h GLU 31 Cb 0.36 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1a90 h GLU 31 CO -0.01 0.64 -0.05 -0.92 -1.16 0.00 0.00 179.01 177.51 1a90 h TYR 32 N 0.00 0.25 0.11 4.33 3.20 0.90 0.32 116.97 126.09 1a90 h TYR 32 Ca -0.01 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 1a90 h TYR 32 Cb 1.34 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.56 1a90 h TYR 32 CO 0.00 0.57 -0.05 -0.97 -1.64 0.00 0.00 178.16 176.07 1a90 h ASN 33 N -0.14 -0.12 0.57 -2.11 -0.00 -1.35 -0.81 115.58 111.61 1a90 h ASN 33 Ca 0.02 -0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.28 1a90 h ASN 33 Cb 0.50 0.03 0.00 0.00 -0.00 0.00 0.00 38.32 38.86 1a90 h ASN 33 CO 0.02 -0.04 0.00 -0.09 -0.00 0.00 0.00 177.43 177.31 1a90 h ARG 34 N -0.20 0.00 0.00 6.67 2.43 -1.38 -1.40 114.38 120.50 1a90 h ARG 34 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1a90 h ARG 34 Cb 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1a90 h ARG 34 CO 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.48 1a90 h ALA 35 N 2.15 1.00 0.02 2.80 0.00 0.11 -3.19 119.26 122.15 1a90 h ALA 35 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 1a90 h ALA 35 Cb 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1a90 h ALA 35 CO 0.00 0.00 -1.73 1.03 0.00 0.00 0.00 179.25 178.55 1a90 h SER 36 N 0.00 0.07 -1.55 0.00 0.87 -0.76 -3.50 113.55 108.67 1a90 h SER 36 Ca 0.00 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1a90 h SER 36 Cb 0.89 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1a90 h SER 36 CO 0.00 1.13 0.00 0.59 -0.53 0.00 0.00 176.83 178.02 1a90 n ASN 37 N -3.12 -0.33 0.16 6.23 5.03 -1.13 -3.82 115.26 118.28 1a90 n ASN 37 Ca -0.19 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.40 1a90 n ASN 37 Cb 1.05 0.00 0.48 0.00 -1.02 0.00 0.00 39.78 40.29 1a90 n ASN 37 CO 0.00 0.00 0.00 -0.78 -1.83 0.00 0.00 177.26 174.65 1a90 h ASP 38 N 0.00 0.00 -0.99 6.41 3.58 -1.92 -3.14 116.42 120.36 1a90 h ASP 38 Ca 0.00 0.00 0.11 0.00 0.42 0.00 0.00 57.03 57.56 1a90 h ASP 38 Cb 0.00 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 40.97 1a90 h ASP 38 CO 0.00 0.00 0.63 0.11 -2.88 0.00 0.00 179.24 177.10 1a90 h LYS 39 N 0.00 0.99 0.00 0.28 1.57 -1.89 -3.32 116.57 114.21 1a90 h LYS 39 Ca 0.00 -0.06 0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1a90 h LYS 39 Cb 0.53 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1a90 h LYS 39 CO 0.00 0.66 0.27 0.66 -0.57 0.00 0.00 179.45 180.46 1a90 n TYR 40 N -4.58 -0.72 -4.33 -1.35 4.01 -1.19 -4.73 117.16 104.27 1a90 n TYR 40 Ca 0.18 -0.45 -0.18 0.00 -0.16 0.00 0.00 57.90 57.29 1a90 n TYR 40 Cb 0.32 0.22 -0.10 0.00 -0.31 0.00 0.00 39.34 39.46 1a90 n TYR 40 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1a90 s SER 41 N -2.01 2.50 -0.07 7.72 0.01 -1.03 -4.17 113.70 116.65 1a90 s SER 41 Ca 0.10 -1.01 -0.03 0.00 1.31 0.00 0.00 55.95 56.32 1a90 s SER 41 Cb -0.01 -0.13 0.04 0.00 0.21 0.00 0.00 66.02 66.14 1a90 s SER 41 CO 0.02 -0.18 0.14 -0.44 0.41 0.00 0.00 173.24 173.19 1a90 s SER 42 N -3.25 0.65 0.25 2.44 0.01 -1.26 0.71 113.70 113.25 1a90 s SER 42 Ca 0.21 0.28 0.01 0.00 1.31 0.00 0.00 55.95 57.76 1a90 s SER 42 Cb -0.01 0.19 -0.05 0.00 0.21 0.00 0.00 66.02 66.36 1a90 s SER 42 CO 0.06 -0.23 0.10 -0.13 0.41 0.00 0.00 173.24 173.46 1a90 s ARG 43 N 2.07 1.38 0.75 12.44 1.81 -0.88 -3.43 118.95 133.08 1a90 s ARG 43 Ca 0.01 -1.74 -0.10 0.00 -1.72 0.00 0.00 55.73 52.18 1a90 s ARG 43 Cb -0.12 -0.17 0.16 0.00 -0.45 0.00 0.00 34.95 34.37 1a90 s ARG 43 CO -0.05 -0.31 0.36 1.55 -0.68 0.00 0.00 175.30 176.16 1a90 n VAL 44 N -0.43 0.00 0.02 3.52 3.14 -1.26 -1.77 118.33 121.54 1a90 n VAL 44 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1a90 n VAL 44 Cb 0.66 -0.40 0.00 0.00 -1.06 0.00 0.00 33.84 33.04 1a90 n VAL 44 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1a90 n VAL 45 N -4.04 0.00 -3.83 1.55 0.31 -1.25 -3.96 118.33 107.10 1a90 n VAL 45 Ca 0.06 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.11 1a90 n VAL 45 Cb 0.25 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.06 1a90 n VAL 45 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1a90 s ARG 46 N -1.47 2.22 0.99 5.55 6.06 -1.15 -4.94 118.95 126.21 1a90 s ARG 46 Ca 0.00 -3.15 -0.17 0.00 -2.50 0.00 0.00 55.73 49.92 1a90 s ARG 46 Cb 0.00 -3.13 -0.07 0.00 0.06 0.00 0.00 34.95 31.81 1a90 s ARG 46 CO 0.00 -1.29 -0.40 0.28 -2.50 0.00 0.00 175.30 171.39 1a90 n VAL 47 N 2.13 0.00 0.02 7.11 0.31 -1.26 -1.68 118.33 124.96 1a90 n VAL 47 Ca 0.21 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1a90 n VAL 47 Cb 0.37 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.03 1a90 n VAL 47 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1a90 n ILE 48 N -3.15 0.00 -3.55 2.52 5.41 -0.46 -4.72 119.36 115.41 1a90 n ILE 48 Ca 0.01 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.69 1a90 n ILE 48 Cb 0.58 -0.43 -0.08 0.00 -0.71 0.00 0.00 39.64 39.00 1a90 n ILE 48 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1a90 s SER 49 N -4.57 -0.22 -0.34 4.38 0.15 -1.23 -4.95 113.70 106.93 1a90 s SER 49 Ca 0.00 0.80 0.03 0.00 0.70 0.00 0.00 55.95 57.48 1a90 s SER 49 Cb 0.00 1.37 0.10 0.00 -1.71 0.00 0.00 66.02 65.78 1a90 s SER 49 CO 0.00 -0.25 0.08 0.00 1.20 0.00 0.00 173.24 174.27 1a90 s ALA 50 N 2.62 2.53 0.29 5.45 0.00 -1.26 -0.99 121.76 130.41 1a90 s ALA 50 Ca 0.03 -2.34 0.06 0.00 0.00 0.00 0.00 51.96 49.71 1a90 s ALA 50 Cb -0.13 -1.88 -0.06 0.00 0.00 0.00 0.00 23.12 21.05 1a90 s ALA 50 CO -0.14 -1.71 -0.03 0.15 0.00 0.00 0.00 175.76 174.02 1a90 s LYS 51 N 1.03 1.59 -0.49 0.00 1.02 -0.23 -2.56 119.74 120.10 1a90 s LYS 51 Ca 0.11 -1.83 0.03 0.00 0.02 0.00 0.00 55.97 54.31 1a90 s LYS 51 Cb -0.19 -1.13 0.15 0.00 -0.52 0.00 0.00 37.83 36.15 1a90 s LYS 51 CO -0.12 -0.01 0.33 1.03 -0.92 0.00 0.00 175.35 175.66 1a90 s ARG 52 N -3.76 1.41 0.72 1.68 0.52 -0.50 -0.69 118.95 118.35 1a90 s ARG 52 Ca 0.31 -2.33 -0.17 0.00 -0.52 0.00 0.00 55.73 53.03 1a90 s ARG 52 Cb 0.05 -2.25 -0.10 0.00 0.52 0.00 0.00 34.95 33.17 1a90 s ARG 52 CO 0.13 -1.27 0.03 1.04 0.02 0.00 0.00 175.30 175.26 1a90 n GLN 53 N 2.97 0.12 -3.77 3.54 6.02 0.23 -3.58 117.38 122.92 1a90 n GLN 53 Ca 0.18 0.06 -0.28 0.00 -0.01 0.00 0.00 57.00 56.95 1a90 n GLN 53 Cb 0.39 -1.39 -0.12 0.00 1.02 0.00 0.00 30.24 30.14 1a90 n GLN 53 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1a90 s LEU 54 N 3.15 3.95 0.00 1.08 1.02 -1.26 -1.73 118.68 124.89 1a90 s LEU 54 Ca 0.57 -3.64 0.00 0.00 0.02 0.00 0.00 54.13 51.08 1a90 s LEU 54 Cb -0.36 -1.33 0.00 0.00 0.02 0.00 0.00 46.19 44.52 1a90 s LEU 54 CO 0.66 -0.11 0.00 0.55 0.02 0.00 0.00 176.35 177.47 1a90 n VAL 55 N 2.22 0.00 -0.64 -1.59 3.14 -1.26 -4.84 118.33 115.36 1a90 n VAL 55 Ca 0.22 0.00 0.49 0.00 -2.96 0.00 0.00 64.34 62.09 1a90 n VAL 55 Cb 0.38 0.00 0.77 0.00 -1.06 0.00 0.00 33.84 33.93 1a90 n VAL 55 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1a90 n SER 56 N 0.00 0.05 0.00 6.55 3.41 -1.26 -4.53 113.62 117.84 1a90 n SER 56 Ca 0.00 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.66 1a90 n SER 56 Cb 0.00 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1a90 n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a90 n GLY 57 N -1.80 5.05 3.21 5.00 0.00 -1.26 -4.98 105.19 110.41 1a90 n GLY 57 Ca 0.42 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 1a90 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a90 s ILE 58 N 1.12 1.53 -0.11 -0.61 1.09 -0.82 -4.28 121.20 119.12 1a90 s ILE 58 Ca 0.00 -0.94 -0.03 0.00 -1.10 0.00 0.00 60.65 58.59 1a90 s ILE 58 Cb 0.00 -1.29 -0.03 0.00 -1.06 0.00 0.00 42.46 40.07 1a90 s ILE 58 CO 0.00 0.34 -0.02 -0.54 -0.10 0.00 0.00 174.94 174.62 1a90 s LYS 59 N -0.70 3.27 -0.54 2.79 1.02 -0.70 -1.28 119.74 123.59 1a90 s LYS 59 Ca 0.07 -0.46 -0.08 0.00 0.02 0.00 0.00 55.97 55.52 1a90 s LYS 59 Cb -0.08 -2.84 0.14 0.00 -0.52 0.00 0.00 37.83 34.53 1a90 s LYS 59 CO 0.00 0.50 0.40 0.71 -0.92 0.00 0.00 175.35 176.05 1a90 s TYR 60 N -0.34 3.48 0.08 3.18 1.51 0.26 0.76 117.35 126.27 1a90 s TYR 60 Ca 0.06 -2.14 -0.26 0.00 -1.01 0.00 0.00 57.07 53.72 1a90 s TYR 60 Cb -0.12 -3.44 -0.06 0.00 -0.11 0.00 0.00 41.96 38.23 1a90 s TYR 60 CO 0.02 -0.96 0.82 0.42 -1.11 0.00 0.00 175.55 174.74 1a90 s ILE 61 N 0.88 4.63 0.02 2.71 -1.09 0.14 -1.37 121.20 127.12 1a90 s ILE 61 Ca 0.10 1.75 0.03 0.00 -2.23 0.00 0.00 60.65 60.30 1a90 s ILE 61 Cb -0.23 -4.17 -0.01 0.00 -1.58 0.00 0.00 42.46 36.47 1a90 s ILE 61 CO -0.03 0.37 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.75 1a90 s LEU 62 N -0.17 2.11 -0.01 2.97 1.98 0.11 -1.07 118.68 124.62 1a90 s LEU 62 Ca 0.40 -0.31 -0.01 0.00 -2.89 0.00 0.00 54.13 51.32 1a90 s LEU 62 Cb -0.21 -0.35 -0.00 0.00 0.66 0.00 0.00 46.19 46.29 1a90 s LEU 62 CO 0.25 -0.01 0.03 -1.10 -1.89 0.00 0.00 176.35 173.63 1a90 s GLN 63 N -0.75 0.12 -0.29 1.98 -1.52 -0.16 -1.14 119.66 117.90 1a90 s GLN 63 Ca -0.01 -0.11 -0.16 0.00 -1.95 0.00 0.00 55.36 53.13 1a90 s GLN 63 Cb -0.06 0.05 0.13 0.00 -0.22 0.00 0.00 33.01 32.91 1a90 s GLN 63 CO 0.00 -0.02 0.90 0.14 -0.25 0.00 0.00 175.29 176.06 1a90 s VAL 64 N -0.36 -0.07 -1.06 1.09 -7.23 -0.79 -1.36 120.40 110.62 1a90 s VAL 64 Ca -0.04 0.00 -0.23 0.00 -1.81 0.00 0.00 61.98 59.90 1a90 s VAL 64 Cb -0.03 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 1a90 s VAL 64 CO -0.00 0.00 1.87 -1.61 -0.31 0.00 0.00 175.10 175.04 1a90 s GLU 65 N 1.54 2.79 0.30 4.82 0.41 -0.68 -2.17 118.70 125.70 1a90 s GLU 65 Ca -0.09 -0.87 -0.30 0.00 -0.41 0.00 0.00 54.97 53.31 1a90 s GLU 65 Cb -0.04 -5.21 -0.12 0.00 -1.78 0.00 0.00 34.13 26.98 1a90 s GLU 65 CO -0.16 -3.36 1.55 -0.89 -0.49 0.00 0.00 175.26 171.90 1a90 n ILE 66 N 7.60 1.21 -4.68 -1.63 2.08 0.16 -2.93 119.36 121.17 1a90 n ILE 66 Ca 0.42 -0.30 -0.33 0.00 0.56 0.00 0.00 62.75 63.10 1a90 n ILE 66 Cb 0.47 -1.89 -0.12 0.00 -0.75 0.00 0.00 39.64 37.35 1a90 n ILE 66 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1a90 s GLY 67 N 0.34 1.64 0.70 7.39 0.00 -0.73 -0.40 107.32 116.27 1a90 s GLY 67 Ca 0.62 -0.98 -0.12 0.00 0.00 0.00 0.00 44.72 44.24 1a90 s GLY 67 CO 0.52 -0.80 0.70 0.54 0.00 0.00 0.00 173.10 174.06 1a90 n ARG 68 N 2.01 -1.88 -3.28 2.90 3.00 -1.26 -2.08 116.66 116.07 1a90 n ARG 68 Ca -0.17 -1.11 -0.07 0.00 -0.01 0.00 0.00 57.85 56.49 1a90 n ARG 68 Cb 0.52 -0.95 -0.05 0.00 0.00 0.00 0.00 32.46 31.99 1a90 n ARG 68 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1a90 s THR 69 N -2.36 -0.69 0.00 0.55 -4.23 0.22 -3.72 115.64 105.40 1a90 s THR 69 Ca 0.44 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 1a90 s THR 69 Cb -0.03 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.82 1a90 s THR 69 CO 0.33 -0.23 0.00 1.07 -0.54 0.00 0.00 174.62 175.25 1a90 n THR 70 N 5.36 0.00 -2.97 3.99 5.66 -1.25 -2.45 114.28 122.61 1a90 n THR 70 Ca 0.01 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.74 1a90 n THR 70 Cb 0.50 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.30 1a90 n THR 70 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1a90 n PRO 72 N -0.53 -1.03 0.00 0.00 -0.04 -1.26 -1.22 135.00 130.91 1a90 n PRO 72 Ca -0.10 -0.77 0.00 0.00 -0.04 0.00 0.00 63.50 62.59 1a90 n PRO 72 Cb 0.51 -0.59 0.00 0.00 -0.04 0.00 0.00 33.50 33.38 1a90 n PRO 72 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1a90 n LYS 73 N -2.40 0.00 0.00 0.54 5.02 -1.25 -4.67 118.16 115.40 1a90 n LYS 73 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1a90 n LYS 73 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.24 1a90 n LYS 73 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1a90 n SER 74 N 0.00 0.00 0.00 4.39 3.41 -1.26 -4.95 113.62 115.21 1a90 n SER 74 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1a90 n SER 74 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1a90 n SER 74 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1a90 n SER 75 N 0.00 0.00 0.00 4.04 7.64 -1.26 -4.15 113.62 119.89 1a90 n SER 75 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1a90 n SER 75 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1a90 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a90 n GLY 76 N 0.00 0.54 0.00 0.23 0.00 -1.26 -3.88 105.19 100.82 1a90 n GLY 76 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1a90 n GLY 76 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a90 n ASP 77 N 1.96 0.00 0.00 1.61 5.68 -1.26 -5.09 116.55 119.45 1a90 n ASP 77 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1a90 n ASP 77 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1a90 n ASP 77 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1a90 n LEU 78 N 0.00 0.00 -4.69 -2.12 4.32 -1.25 -4.97 117.00 108.29 1a90 n LEU 78 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.57 1a90 n LEU 78 Cb 0.00 -0.19 -0.03 0.00 -1.62 0.00 0.00 43.42 41.58 1a90 n LEU 78 CO 0.00 -0.38 0.79 -1.10 -1.22 0.00 0.00 177.39 175.48 1a90 s GLN 79 N -0.76 4.43 0.00 3.23 -0.21 -1.26 -4.89 119.66 120.20 1a90 s GLN 79 Ca 0.00 1.40 0.00 0.00 0.02 0.00 0.00 55.36 56.78 1a90 s GLN 79 Cb 0.00 -3.54 0.00 0.00 1.00 0.00 0.00 33.01 30.47 1a90 s GLN 79 CO 0.00 -0.30 0.00 -1.13 -2.12 0.00 0.00 175.29 171.74 1a90 n SER 80 N 4.94 0.00 -2.77 5.90 3.41 -0.36 -4.61 113.62 120.13 1a90 n SER 80 Ca 0.09 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.54 1a90 n SER 80 Cb 0.49 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.44 1a90 n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a90 h GLU 82 N 2.92 0.00 0.00 0.00 4.57 -1.69 -0.06 114.58 120.33 1a90 h GLU 82 Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1a90 h GLU 82 Cb 1.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 1a90 h GLU 82 CO 0.59 0.01 0.01 1.19 -1.18 0.00 0.00 179.01 179.62 1a90 n PHE 83 N -3.24 0.00 -1.19 0.92 3.72 -1.24 -4.50 117.46 111.93 1a90 n PHE 83 Ca -0.03 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.44 1a90 n PHE 83 Cb 0.11 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 1a90 n PHE 83 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 1a90 n HIS 84 N -0.92 -3.24 -0.00 1.38 -0.00 -0.03 -3.68 115.22 108.72 1a90 n HIS 84 Ca 0.00 1.77 0.22 0.00 -0.00 0.00 0.00 57.72 59.71 1a90 n HIS 84 Cb 0.01 -2.88 0.56 0.00 -0.00 0.00 0.00 29.99 27.68 1a90 n HIS 84 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 1a90 h ASP 85 N -0.44 0.00 -5.72 0.26 5.19 -1.90 -3.41 116.42 110.41 1a90 h ASP 85 Ca -0.07 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 55.98 1a90 h ASP 85 Cb 0.91 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.30 1a90 h ASP 85 CO 0.03 0.00 -0.43 -1.83 -3.12 0.00 0.00 179.24 173.89 1a90 s GLU 86 N -4.44 1.66 0.00 3.56 -1.05 -1.24 -5.16 118.70 112.03 1a90 s GLU 86 Ca -0.03 -1.84 0.00 0.00 -0.15 0.00 0.00 54.97 52.95 1a90 s GLU 86 Cb 0.13 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 34.17 1a90 s GLU 86 CO 0.44 -0.63 0.00 -0.35 0.95 0.00 0.00 175.26 175.68 1a90 n PRO 87 N -0.52 0.00 -2.22 -4.83 -0.04 -1.25 -4.25 135.00 121.88 1a90 n PRO 87 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1a90 n PRO 87 Cb 0.63 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.09 1a90 n PRO 87 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1a90 n GLU 88 N 0.00 -0.66 0.00 0.54 4.71 -1.26 -1.99 120.64 121.97 1a90 n GLU 88 Ca 0.00 -0.28 0.00 0.00 -0.01 0.00 0.00 57.16 56.87 1a90 n GLU 88 Cb 0.00 0.51 0.00 0.00 -1.01 0.00 0.00 31.44 30.94 1a90 n GLU 88 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1a90 n LEU 89 N -0.59 0.00 -3.27 -4.62 4.77 -1.26 -5.00 117.00 107.03 1a90 n LEU 89 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 1a90 n LEU 89 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1a90 n LEU 89 CO 0.00 0.00 2.60 0.00 -1.33 0.00 0.00 177.39 178.66 1a90 n ALA 90 N 0.00 6.99 -0.72 -1.18 0.00 -0.84 -4.96 120.51 119.79 1a90 n ALA 90 Ca 0.00 -3.72 -0.06 0.00 0.00 0.00 0.00 53.44 49.66 1a90 n ALA 90 Cb 0.00 -2.88 0.03 0.00 0.00 0.00 0.00 19.45 16.61 1a90 n ALA 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1a90 n LYS 91 N 2.24 -0.45 -3.97 0.00 5.02 -1.26 -4.83 118.16 114.90 1a90 n LYS 91 Ca 0.65 -0.13 -0.17 0.00 -2.02 0.00 0.00 58.31 56.64 1a90 n LYS 91 Cb 0.30 -1.09 -0.07 0.00 -0.02 0.00 0.00 35.03 34.16 1a90 n LYS 91 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1a90 n TYR 92 N -3.31 -0.77 -4.21 2.13 4.02 -1.26 -4.41 117.16 109.34 1a90 n TYR 92 Ca 0.01 -2.47 -0.17 0.00 -0.01 0.00 0.00 57.90 55.26 1a90 n TYR 92 Cb 0.12 0.28 -0.11 0.00 -0.02 0.00 0.00 39.34 39.62 1a90 n TYR 92 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 1a90 s THR 93 N -3.17 1.19 -0.38 -0.72 -1.32 0.46 -4.94 115.64 106.76 1a90 s THR 93 Ca 0.35 -1.63 -0.15 0.00 -1.21 0.00 0.00 61.69 59.05 1a90 s THR 93 Cb 0.01 -1.41 0.00 0.00 -1.51 0.00 0.00 72.50 69.60 1a90 s THR 93 CO 0.25 -0.42 0.31 -0.89 -2.21 0.00 0.00 174.62 171.66 1a90 s THR 94 N -2.07 5.23 0.20 5.08 2.01 -1.26 0.37 115.64 125.19 1a90 s THR 94 Ca 0.06 -0.34 0.11 0.00 0.31 0.00 0.00 61.69 61.83 1a90 s THR 94 Cb -0.05 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 1a90 s THR 94 CO 0.02 -0.19 -0.17 0.00 -0.69 0.00 0.00 174.62 173.59 1a90 s THR 96 N -1.83 0.97 -0.11 0.00 2.01 -0.62 -1.88 115.64 114.17 1a90 s THR 96 Ca 0.24 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.83 1a90 s THR 96 Cb -0.08 -0.88 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 1a90 s THR 96 CO 0.13 0.31 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.89 1a90 s PHE 97 N 0.46 2.82 -0.30 4.92 0.08 -0.29 -1.82 117.98 123.84 1a90 s PHE 97 Ca -0.09 -0.44 0.02 0.00 0.12 0.00 0.00 56.93 56.54 1a90 s PHE 97 Cb -0.13 -1.79 0.09 0.00 -0.57 0.00 0.00 43.02 40.62 1a90 s PHE 97 CO 0.02 -0.05 0.02 0.08 -0.10 0.00 0.00 175.22 175.18 1a90 s VAL 98 N -0.00 1.77 -0.18 -0.44 1.01 -0.64 0.10 120.40 122.01 1a90 s VAL 98 Ca -0.03 -1.78 -0.04 0.00 0.00 0.00 0.00 61.98 60.13 1a90 s VAL 98 Cb -0.14 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1a90 s VAL 98 CO 0.04 -0.43 -0.03 -0.69 0.00 0.00 0.00 175.10 173.99 1a90 s VAL 99 N 1.20 3.73 -0.21 2.92 1.01 -0.47 -1.54 120.40 127.04 1a90 s VAL 99 Ca 0.04 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 1a90 s VAL 99 Cb -0.19 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1a90 s VAL 99 CO -0.11 0.46 0.35 -0.47 0.00 0.00 0.00 175.10 175.33 1a90 s TYR 100 N 0.80 3.35 -0.14 5.22 6.14 -0.79 0.91 117.35 132.85 1a90 s TYR 100 Ca -0.01 0.52 0.02 0.00 0.64 0.00 0.00 57.07 58.24 1a90 s TYR 100 Cb -0.14 -2.48 0.01 0.00 0.42 0.00 0.00 41.96 39.77 1a90 s TYR 100 CO 0.02 -0.01 -0.22 0.45 0.64 0.00 0.00 175.55 176.43 1a90 s SER 101 N 1.09 3.08 -0.40 4.32 0.15 -0.41 -1.01 113.70 120.52 1a90 s SER 101 Ca 0.16 -0.60 -0.12 0.00 0.70 0.00 0.00 55.95 56.10 1a90 s SER 101 Cb -0.15 -1.43 0.04 0.00 -1.71 0.00 0.00 66.02 62.78 1a90 s SER 101 CO 0.07 0.08 0.25 -0.63 1.20 0.00 0.00 173.24 174.21 1a90 s ILE 102 N 0.82 4.69 0.03 6.45 1.01 -0.66 -1.95 121.20 131.59 1a90 s ILE 102 Ca -0.07 -0.93 -0.27 0.00 0.00 0.00 0.00 60.65 59.38 1a90 s ILE 102 Cb -0.16 -3.67 -0.17 0.00 0.01 0.00 0.00 42.46 38.48 1a90 s ILE 102 CO -0.02 -0.32 1.35 1.55 0.00 0.00 0.00 174.94 177.50 1a90 h PRO 103 N 8.49 -0.58 0.00 2.79 0.13 -1.94 0.86 132.00 141.76 1a90 h PRO 103 Ca -0.26 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1a90 h PRO 103 Cb 1.10 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1a90 h PRO 103 CO 0.71 -0.28 0.06 -2.67 -0.23 0.00 0.00 178.00 175.59 1a90 n TRP 104 N -5.26 0.05 -0.67 1.56 2.14 -1.26 -1.50 117.44 112.50 1a90 n TRP 104 Ca -0.11 0.03 0.00 0.00 2.07 0.00 0.00 57.50 59.49 1a90 n TRP 104 Cb 0.29 -0.48 0.00 0.00 -0.81 0.00 0.00 31.31 30.31 1a90 n TRP 104 CO 0.00 0.00 0.00 -0.11 2.07 0.00 0.00 177.69 179.65 1a90 n LEU 105 N -1.50 0.66 -3.76 5.67 -0.00 -1.10 -5.01 117.00 111.95 1a90 n LEU 105 Ca -0.00 -0.66 -0.23 0.00 -0.00 0.00 0.00 56.01 55.12 1a90 n LEU 105 Cb 0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.45 1a90 n LEU 105 CO 0.01 0.16 -0.23 -3.20 -0.00 0.00 0.00 177.39 174.13 1a90 n ASN 106 N -0.16 -0.53 -4.04 1.96 4.05 0.29 -4.87 115.26 111.96 1a90 n ASN 106 Ca 0.00 -0.82 -0.32 0.00 0.45 0.00 0.00 54.58 53.89 1a90 n ASN 106 Cb 0.41 -1.01 -0.15 0.00 1.23 0.00 0.00 39.78 40.27 1a90 n ASN 106 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1a90 s GLN 107 N -6.07 2.06 0.24 1.20 -1.52 -0.62 -4.93 119.66 110.01 1a90 s GLN 107 Ca 0.11 -1.33 -0.01 0.00 -1.95 0.00 0.00 55.36 52.18 1a90 s GLN 107 Cb -0.06 -2.86 -0.04 0.00 -0.22 0.00 0.00 33.01 29.82 1a90 s GLN 107 CO 0.63 -0.61 0.44 0.42 -0.25 0.00 0.00 175.29 175.92 1a90 s ILE 108 N 1.13 5.17 -0.22 1.08 1.01 -1.26 -1.65 121.20 126.46 1a90 s ILE 108 Ca -0.07 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.15 1a90 s ILE 108 Cb -0.20 -3.76 0.10 0.00 0.01 0.00 0.00 42.46 38.61 1a90 s ILE 108 CO -0.06 -0.26 0.48 -0.75 0.00 0.00 0.00 174.94 174.35 1a90 s LYS 109 N -3.54 0.39 0.85 2.79 2.20 -0.18 -4.98 119.74 117.27 1a90 s LYS 109 Ca 0.39 1.13 -0.10 0.00 -0.36 0.00 0.00 55.97 57.03 1a90 s LYS 109 Cb -0.11 0.44 0.10 0.00 -1.51 0.00 0.00 37.83 36.76 1a90 s LYS 109 CO 0.30 -0.23 1.12 -1.17 -0.36 0.00 0.00 175.35 175.01 1a90 s LEU 110 N 2.60 2.90 0.00 5.43 2.96 -1.26 -1.88 118.68 129.42 1a90 s LEU 110 Ca -0.03 1.98 0.00 0.00 -0.22 0.00 0.00 54.13 55.86 1a90 s LEU 110 Cb -0.12 -4.51 0.00 0.00 0.50 0.00 0.00 46.19 42.06 1a90 s LEU 110 CO -0.14 -2.57 0.00 0.18 -1.32 0.00 0.00 176.35 172.49 1a90 n LEU 111 N -3.88 0.00 -3.72 -0.68 4.32 -0.59 -4.84 117.00 107.62 1a90 n LEU 111 Ca 0.10 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.68 1a90 n LEU 111 Cb 0.53 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 1a90 n LEU 111 CO 0.52 0.00 1.99 1.21 -1.22 0.00 0.00 177.39 179.89 1a90 n GLU 112 N -0.50 4.23 -3.44 3.23 2.13 -1.16 -4.85 120.64 120.27 1a90 n GLU 112 Ca 0.00 -3.71 -0.43 0.00 0.66 0.00 0.00 57.16 53.69 1a90 n GLU 112 Cb 0.00 -2.73 -0.03 0.00 0.27 0.00 0.00 31.44 28.95 1a90 n GLU 112 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1a90 s SER 113 N 0.19 6.65 0.18 4.31 1.04 -1.25 -1.63 113.70 123.19 1a90 s SER 113 Ca 0.44 -3.30 -0.21 0.00 0.48 0.00 0.00 55.95 53.36 1a90 s SER 113 Cb 0.13 -2.11 0.05 0.00 0.10 0.00 0.00 66.02 64.20 1a90 s SER 113 CO -0.03 -0.35 0.58 -0.75 0.98 0.00 0.00 173.24 173.67 1a90 s LYS 114 N -0.76 1.35 -0.02 4.02 2.20 -0.76 -4.99 119.74 120.79 1a90 s LYS 114 Ca 0.25 -0.64 0.05 0.00 -0.36 0.00 0.00 55.97 55.27 1a90 s LYS 114 Cb -0.11 0.57 -0.03 0.00 -1.51 0.00 0.00 37.83 36.76 1a90 s LYS 114 CO -0.09 -0.59 -0.16 0.00 -0.36 0.00 0.00 175.35 174.15