#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a90 n ALA 10 N 0.00 -1.95 -1.99 4.61 0.00 -1.26 -4.92 120.51 115.00 1a90 n ALA 10 Ca 0.00 0.47 -0.31 0.00 0.00 0.00 0.00 53.44 53.61 1a90 n ALA 10 Cb 0.00 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 17.99 1a90 n ALA 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1a90 s PRO 11 N -4.47 3.74 -0.06 0.00 0.04 -1.26 -4.38 135.00 128.60 1a90 s PRO 11 Ca 0.00 0.68 0.04 0.00 0.04 0.00 0.00 61.00 61.76 1a90 s PRO 11 Cb 0.00 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 1a90 s PRO 11 CO 0.00 -0.31 -0.18 0.08 0.04 0.00 0.00 177.00 176.63 1a90 s VAL 12 N -2.77 2.67 0.56 -0.36 1.01 -1.24 -4.96 120.40 115.29 1a90 s VAL 12 Ca 0.54 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.53 1a90 s VAL 12 Cb -0.10 -2.03 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 1a90 s VAL 12 CO 0.41 0.57 1.01 -2.16 0.00 0.00 0.00 175.10 174.93 1a90 s PRO 13 N -0.35 3.76 0.98 2.72 0.04 -1.26 -1.55 135.00 139.34 1a90 s PRO 13 Ca 0.03 0.91 -0.12 0.00 0.04 0.00 0.00 61.00 61.85 1a90 s PRO 13 Cb -0.12 -2.11 0.11 0.00 0.04 0.00 0.00 34.50 32.42 1a90 s PRO 13 CO 0.02 -0.43 0.69 1.55 0.04 0.00 0.00 177.00 178.87 1a90 n VAL 14 N -2.03 0.00 -3.63 -0.36 3.14 -1.16 -4.85 118.33 109.44 1a90 n VAL 14 Ca 0.07 -0.16 0.02 0.00 -2.96 0.00 0.00 64.34 61.31 1a90 n VAL 14 Cb 0.54 -0.79 -0.00 0.00 -1.06 0.00 0.00 33.84 32.53 1a90 n VAL 14 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 1a90 s ASP 15 N -2.26 -0.05 -0.08 6.55 1.47 -1.26 -4.95 116.67 116.10 1a90 s ASP 15 Ca 0.61 -0.13 0.00 0.00 1.18 0.00 0.00 52.55 54.22 1a90 s ASP 15 Cb -0.21 0.15 0.00 0.00 -0.34 0.00 0.00 42.92 42.51 1a90 s ASP 15 CO 0.64 -0.27 0.00 -0.62 0.68 0.00 0.00 175.17 175.60 1a90 n GLU 16 N -0.51 -2.39 0.00 2.11 1.02 -1.26 0.11 120.64 119.71 1a90 n GLU 16 Ca -0.08 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1a90 n GLU 16 Cb 0.63 -4.41 0.00 0.00 -0.02 0.00 0.00 31.44 27.64 1a90 n GLU 16 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1a90 n ASN 17 N -0.83 0.00 -3.52 1.62 4.05 -1.26 -4.67 115.26 110.65 1a90 n ASN 17 Ca -0.01 0.00 -0.35 0.00 0.45 0.00 0.00 54.58 54.67 1a90 n ASN 17 Cb 0.37 0.00 0.03 0.00 1.23 0.00 0.00 39.78 41.41 1a90 n ASN 17 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1a90 n ASP 18 N 1.04 -5.55 -0.31 1.20 8.00 0.30 -4.37 116.55 116.85 1a90 n ASP 18 Ca 0.00 -0.27 0.33 0.00 0.71 0.00 0.00 54.79 55.57 1a90 n ASP 18 Cb 0.00 -1.91 0.72 0.00 -0.02 0.00 0.00 41.12 39.91 1a90 n ASP 18 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1a90 h GLU 19 N 1.64 0.05 -0.16 -1.24 4.11 -1.87 0.34 114.58 117.45 1a90 h GLU 19 Ca -0.54 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.86 1a90 h GLU 19 Cb 1.38 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 1a90 h GLU 19 CO 0.25 0.03 0.01 0.78 0.07 0.00 0.00 179.01 180.16 1a90 h GLY 20 N 0.05 0.30 0.98 1.06 0.00 -1.99 -1.98 103.07 101.49 1a90 h GLY 20 Ca 0.56 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.70 1a90 h GLY 20 CO -0.05 0.20 0.65 -2.00 0.00 0.00 0.00 176.54 175.34 1a90 h LEU 21 N 0.04 1.10 -0.95 3.11 7.12 -0.61 -1.34 115.31 123.78 1a90 h LEU 21 Ca 0.05 -0.02 -0.04 0.00 0.13 0.00 0.00 57.88 57.99 1a90 h LEU 21 Cb 0.35 -0.27 -0.03 0.00 -0.53 0.00 0.00 40.66 40.18 1a90 h LEU 21 CO 0.01 0.78 0.24 1.56 -0.13 0.00 0.00 178.44 180.89 1a90 h GLN 22 N 1.29 1.00 0.00 1.25 1.08 -1.17 0.41 115.11 118.97 1a90 h GLN 22 Ca 0.37 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1a90 h GLN 22 Cb -0.08 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.18 1a90 h GLN 22 CO -0.10 0.83 0.00 -0.09 -0.95 0.00 0.00 178.83 178.53 1a90 h ARG 23 N 0.97 0.00 0.02 1.46 2.43 -0.51 -1.61 114.38 117.14 1a90 h ARG 23 Ca 0.22 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1a90 h ARG 23 Cb 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1a90 h ARG 23 CO -0.01 0.00 -0.01 0.00 -1.51 0.00 0.00 179.97 178.44 1a90 h ALA 24 N 2.07 -0.03 -0.73 2.80 0.00 -0.07 -2.15 119.26 121.15 1a90 h ALA 24 Ca 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1a90 h ALA 24 Cb 0.39 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1a90 h ALA 24 CO 0.00 -0.03 0.45 1.25 0.00 0.00 0.00 179.25 180.92 1a90 h LEU 25 N -0.99 0.86 -0.52 0.00 7.12 -1.23 -1.96 115.31 118.60 1a90 h LEU 25 Ca -0.00 -0.04 -0.12 0.00 0.13 0.00 0.00 57.88 57.85 1a90 h LEU 25 Cb 0.48 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 40.38 1a90 h LEU 25 CO 0.00 0.65 -0.56 -0.61 -0.13 0.00 0.00 178.44 177.80 1a90 h GLN 26 N 1.00 0.00 0.32 1.25 -0.00 -1.40 -0.46 115.11 115.82 1a90 h GLN 26 Ca 0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.90 1a90 h GLN 26 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.42 1a90 h GLN 26 CO -0.05 0.56 -0.15 0.35 0.00 0.00 0.00 178.83 179.53 1a90 h PHE 27 N 0.00 -0.40 -0.11 3.99 3.04 -0.67 -0.08 116.94 122.71 1a90 h PHE 27 Ca -0.01 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 1a90 h PHE 27 Cb 1.20 0.13 -0.00 0.00 2.56 0.00 0.00 35.95 39.84 1a90 h PHE 27 CO 0.00 -0.06 -0.09 0.00 -2.02 0.00 0.00 178.31 176.14 1a90 h ALA 28 N -0.57 0.16 -0.78 2.41 0.00 -1.53 -2.54 119.26 116.40 1a90 h ALA 28 Ca -0.04 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1a90 h ALA 28 Cb 0.51 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1a90 h ALA 28 CO 0.07 -0.02 0.52 0.97 0.00 0.00 0.00 179.25 180.79 1a90 h ILE 29 N -0.14 1.20 -0.41 0.00 6.09 0.41 0.30 117.51 124.96 1a90 h ILE 29 Ca 0.02 -0.36 0.03 0.00 -1.37 0.00 0.00 64.86 63.18 1a90 h ILE 29 Cb 0.58 0.05 -0.02 0.00 0.47 0.00 0.00 36.82 37.90 1a90 h ILE 29 CO 0.02 0.19 0.28 0.00 -3.07 0.00 0.00 178.15 175.57 1a90 h ALA 30 N 1.51 1.83 0.00 0.18 0.00 -0.87 0.24 119.26 122.15 1a90 h ALA 30 Ca 0.29 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1a90 h ALA 30 Cb -0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1a90 h ALA 30 CO -0.06 0.12 -0.36 0.93 0.00 0.00 0.00 179.25 179.88 1a90 h GLU 31 N 0.45 0.00 -0.22 0.00 4.39 -0.03 -2.38 114.58 116.79 1a90 h GLU 31 Ca 0.17 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.82 1a90 h GLU 31 Cb 0.11 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1a90 h GLU 31 CO -0.04 0.36 -0.06 -0.92 -1.16 0.00 0.00 179.01 177.19 1a90 h TYR 32 N 0.00 0.48 0.45 4.33 5.03 0.77 0.43 116.97 128.47 1a90 h TYR 32 Ca -0.00 -0.11 -0.02 0.00 2.58 0.00 0.00 58.73 61.18 1a90 h TYR 32 Cb 1.03 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 39.19 1a90 h TYR 32 CO 0.00 0.67 -0.21 -0.97 -1.32 0.00 0.00 178.16 176.33 1a90 h ASN 33 N 0.15 -0.51 0.27 -2.11 -1.24 -1.35 -1.20 115.58 109.59 1a90 h ASN 33 Ca 0.05 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1a90 h ASN 33 Cb 0.52 0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.70 1a90 h ASN 33 CO 0.02 -0.28 0.00 0.54 -1.29 0.00 0.00 177.43 176.43 1a90 n ARG 34 N -5.30 0.16 0.13 6.67 1.74 -0.90 -1.22 116.66 117.94 1a90 n ARG 34 Ca -0.11 0.57 -0.00 0.00 -0.77 0.00 0.00 57.85 57.53 1a90 n ARG 34 Cb 0.28 -1.94 0.09 0.00 -1.02 0.00 0.00 32.46 29.87 1a90 n ARG 34 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a90 h ALA 35 N 2.09 0.72 0.71 7.54 0.00 0.11 -3.31 119.26 127.13 1a90 h ALA 35 Ca 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 1a90 h ALA 35 Cb 0.13 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1a90 h ALA 35 CO 0.00 0.80 -0.34 1.03 0.00 0.00 0.00 179.25 180.74 1a90 h SER 36 N 0.00 -0.81 0.00 0.00 0.87 -0.68 -3.46 113.55 109.47 1a90 h SER 36 Ca -0.01 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1a90 h SER 36 Cb 1.31 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 63.48 1a90 h SER 36 CO 0.08 -0.45 0.00 0.59 -0.53 0.00 0.00 176.83 176.52 1a90 n ASN 37 N -5.28 0.00 0.00 6.23 3.02 -1.24 -4.95 115.26 113.04 1a90 n ASN 37 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 1a90 n ASN 37 Cb 0.38 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 1a90 n ASN 37 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1a90 n ASP 38 N 0.00 0.00 0.00 6.41 2.03 -1.26 -5.05 116.55 118.68 1a90 n ASP 38 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1a90 n ASP 38 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1a90 n ASP 38 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1a90 n LYS 39 N 0.00 0.00 0.00 -0.67 5.02 -1.26 -5.08 118.16 116.17 1a90 n LYS 39 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1a90 n LYS 39 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1a90 n LYS 39 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 1a90 n TYR 40 N -1.96 -0.71 -4.12 2.13 0.18 -1.26 -4.55 117.16 106.87 1a90 n TYR 40 Ca 0.00 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.67 1a90 n TYR 40 Cb 0.00 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 38.88 1a90 n TYR 40 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1a90 s SER 41 N -2.21 0.14 -0.19 9.48 1.04 -0.95 -4.87 113.70 116.14 1a90 s SER 41 Ca 0.00 -1.23 -0.12 0.00 0.48 0.00 0.00 55.95 55.08 1a90 s SER 41 Cb 0.00 0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.55 1a90 s SER 41 CO 0.00 -0.98 0.22 -0.44 0.98 0.00 0.00 173.24 173.02 1a90 s SER 42 N -3.12 6.31 0.06 7.02 0.01 -1.26 -0.29 113.70 122.43 1a90 s SER 42 Ca 0.32 0.35 0.08 0.00 1.31 0.00 0.00 55.95 58.01 1a90 s SER 42 Cb 0.04 -2.14 -0.03 0.00 0.21 0.00 0.00 66.02 64.10 1a90 s SER 42 CO 0.12 0.12 -0.21 -0.13 0.41 0.00 0.00 173.24 173.54 1a90 s ARG 43 N 0.55 1.37 1.02 12.44 0.52 -0.81 -4.16 118.95 129.88 1a90 s ARG 43 Ca 0.12 -1.02 -0.16 0.00 -0.52 0.00 0.00 55.73 54.16 1a90 s ARG 43 Cb -0.12 -1.54 0.24 0.00 0.52 0.00 0.00 34.95 34.06 1a90 s ARG 43 CO 0.02 0.38 0.55 1.55 0.02 0.00 0.00 175.30 177.82 1a90 n VAL 44 N 1.65 0.00 0.00 3.52 3.14 -1.26 -1.30 118.33 124.07 1a90 n VAL 44 Ca -0.18 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 1a90 n VAL 44 Cb 0.53 -0.63 0.00 0.00 -1.06 0.00 0.00 33.84 32.69 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 -4.77 0.00 -3.67 1.55 0.31 -1.26 -4.34 118.33 106.14 1a90 n VAL 45 Ca 0.09 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.12 1a90 n VAL 45 Cb 0.38 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.18 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 -0.35 0.94 1.02 5.55 3.52 -1.26 -5.02 118.95 123.35 1a90 s ARG 46 Ca 0.00 -1.55 -0.23 0.00 -0.13 0.00 0.00 55.73 53.82 1a90 s ARG 46 Cb 0.00 -2.01 -0.12 0.00 -1.56 0.00 0.00 34.95 31.27 1a90 s ARG 46 CO 0.00 -1.11 -0.97 0.28 -0.81 0.00 0.00 175.30 172.69 1a90 n VAL 47 N 4.08 0.00 0.05 7.11 0.31 -1.26 -3.82 118.33 124.80 1a90 n VAL 47 Ca 0.06 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1a90 n VAL 47 Cb 0.37 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 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 -3.41 0.00 -3.71 2.52 5.41 -0.09 -4.85 119.36 115.22 1a90 n ILE 48 Ca -0.01 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.45 1a90 n ILE 48 Cb 0.67 -0.47 -0.15 0.00 -0.71 0.00 0.00 39.64 38.98 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 -4.80 3.87 -0.39 4.38 0.15 -1.22 -4.93 113.70 110.76 1a90 s SER 49 Ca 0.00 -1.52 0.04 0.00 0.70 0.00 0.00 55.95 55.17 1a90 s SER 49 Cb 0.00 -0.79 0.11 0.00 -1.71 0.00 0.00 66.02 63.63 1a90 s SER 49 CO 0.00 -0.41 0.11 0.00 1.20 0.00 0.00 173.24 174.15 1a90 s ALA 50 N 1.69 2.93 0.20 5.45 0.00 -1.25 -0.71 121.76 130.06 1a90 s ALA 50 Ca 0.08 -2.70 0.03 0.00 0.00 0.00 0.00 51.96 49.38 1a90 s ALA 50 Cb -0.17 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.90 1a90 s ALA 50 CO -0.25 -1.79 -0.03 0.15 0.00 0.00 0.00 175.76 173.85 1a90 s LYS 51 N 0.60 1.23 -0.54 0.00 1.02 -0.26 -2.97 119.74 118.82 1a90 s LYS 51 Ca 0.13 -1.59 0.04 0.00 0.02 0.00 0.00 55.97 54.56 1a90 s LYS 51 Cb -0.21 -0.55 0.15 0.00 -0.52 0.00 0.00 37.83 36.70 1a90 s LYS 51 CO -0.06 -0.06 0.35 1.03 -0.92 0.00 0.00 175.35 175.69 1a90 s ARG 52 N -3.84 1.69 0.78 1.68 0.52 -0.60 -0.64 118.95 118.55 1a90 s ARG 52 Ca 0.25 -2.57 -0.17 0.00 -0.52 0.00 0.00 55.73 52.72 1a90 s ARG 52 Cb 0.05 -2.62 -0.10 0.00 0.52 0.00 0.00 34.95 32.80 1a90 s ARG 52 CO 0.06 -1.25 -0.11 1.04 0.02 0.00 0.00 175.30 175.06 1a90 n GLN 53 N 2.78 0.06 -3.72 3.54 6.02 0.24 -3.73 117.38 122.57 1a90 n GLN 53 Ca 0.17 0.04 -0.28 0.00 -0.01 0.00 0.00 57.00 56.92 1a90 n GLN 53 Cb 0.37 -1.33 -0.11 0.00 1.02 0.00 0.00 30.24 30.19 1a90 n GLN 53 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1a90 n LEU 54 N 1.62 2.11 0.00 1.08 0.00 -1.26 -1.76 117.00 118.80 1a90 n LEU 54 Ca 0.05 -5.00 0.00 0.00 0.00 0.00 0.00 56.01 51.06 1a90 n LEU 54 Cb 0.52 -0.38 0.00 0.00 0.00 0.00 0.00 43.42 43.55 1a90 n LEU 54 CO 0.52 1.81 0.00 0.55 0.00 0.00 0.00 177.39 180.27 1a90 n VAL 55 N 2.09 0.00 -0.61 1.96 3.14 -1.26 -4.86 118.33 118.78 1a90 n VAL 55 Ca 0.23 0.00 0.47 0.00 -2.96 0.00 0.00 64.34 62.09 1a90 n VAL 55 Cb 0.39 0.00 0.74 0.00 -1.06 0.00 0.00 33.84 33.91 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 0.06 0.00 6.55 3.41 -1.26 -4.54 113.62 117.84 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 -1.77 4.88 3.20 5.00 0.00 -1.26 -4.98 105.19 110.26 1a90 n GLY 57 Ca 0.41 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 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 1.32 1.52 -0.10 -0.61 1.09 -0.83 -4.24 121.20 119.35 1a90 s ILE 58 Ca 0.00 -0.87 -0.03 0.00 -1.10 0.00 0.00 60.65 58.65 1a90 s ILE 58 Cb 0.00 -1.27 -0.03 0.00 -1.06 0.00 0.00 42.46 40.10 1a90 s ILE 58 CO 0.00 0.39 0.03 -0.54 -0.10 0.00 0.00 174.94 174.72 1a90 s LYS 59 N -0.55 3.14 -0.58 2.79 1.02 -0.72 -1.30 119.74 123.54 1a90 s LYS 59 Ca 0.07 -0.35 -0.05 0.00 0.02 0.00 0.00 55.97 55.67 1a90 s LYS 59 Cb -0.08 -2.90 0.15 0.00 -0.52 0.00 0.00 37.83 34.49 1a90 s LYS 59 CO -0.00 0.69 0.41 0.71 -0.92 0.00 0.00 175.35 176.24 1a90 s TYR 60 N -0.82 3.48 0.12 3.18 1.51 0.32 0.81 117.35 125.94 1a90 s TYR 60 Ca 0.13 -2.49 -0.29 0.00 -1.01 0.00 0.00 57.07 53.41 1a90 s TYR 60 Cb -0.12 -3.30 -0.06 0.00 -0.11 0.00 0.00 41.96 38.37 1a90 s TYR 60 CO 0.03 -0.90 0.93 0.42 -1.11 0.00 0.00 175.55 174.91 1a90 s ILE 61 N 0.37 4.47 0.02 2.71 -1.09 0.19 -1.25 121.20 126.63 1a90 s ILE 61 Ca 0.14 2.01 0.02 0.00 -2.23 0.00 0.00 60.65 60.59 1a90 s ILE 61 Cb -0.21 -4.29 -0.02 0.00 -1.58 0.00 0.00 42.46 36.36 1a90 s ILE 61 CO -0.04 0.35 -0.08 -0.22 -1.23 0.00 0.00 174.94 173.72 1a90 s LEU 62 N -0.18 2.15 -0.05 2.97 1.98 0.14 -1.10 118.68 124.59 1a90 s LEU 62 Ca 0.45 -0.36 -0.10 0.00 -2.89 0.00 0.00 54.13 51.23 1a90 s LEU 62 Cb -0.23 -0.28 0.02 0.00 0.66 0.00 0.00 46.19 46.36 1a90 s LEU 62 CO 0.29 -0.06 0.23 -1.10 -1.89 0.00 0.00 176.35 173.82 1a90 s GLN 63 N -0.94 0.43 -0.25 1.98 -1.52 0.11 -1.09 119.66 118.38 1a90 s GLN 63 Ca -0.03 0.02 -0.26 0.00 -1.95 0.00 0.00 55.36 53.14 1a90 s GLN 63 Cb -0.07 0.19 0.12 0.00 -0.22 0.00 0.00 33.01 33.04 1a90 s GLN 63 CO 0.00 -0.09 1.01 0.14 -0.25 0.00 0.00 175.29 176.11 1a90 s VAL 64 N -0.60 0.00 -1.42 1.09 -7.23 -0.90 -0.92 120.40 110.41 1a90 s VAL 64 Ca -0.07 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 59.98 1a90 s VAL 64 Cb -0.04 -1.00 0.06 0.00 0.56 0.00 0.00 36.38 35.96 1a90 s VAL 64 CO 0.02 0.00 2.24 -1.84 -0.31 0.00 0.00 175.10 175.21 1a90 n GLU 65 N 1.84 3.29 -0.53 4.82 0.28 -1.24 -1.88 120.64 127.22 1a90 n GLU 65 Ca -0.12 -2.86 -0.17 0.00 -0.16 0.00 0.00 57.16 53.85 1a90 n GLU 65 Cb 0.56 -3.08 0.01 0.00 1.43 0.00 0.00 31.44 30.36 1a90 n GLU 65 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1a90 n ILE 66 N 4.19 0.00 -3.29 3.84 2.08 0.32 -3.80 119.36 122.70 1a90 n ILE 66 Ca 0.53 -0.23 0.00 0.00 0.56 0.00 0.00 62.75 63.61 1a90 n ILE 66 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.24 1a90 n ILE 66 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1a90 n GLY 67 N 1.38 4.57 0.00 7.39 0.00 -0.42 -0.52 105.19 117.59 1a90 n GLY 67 Ca 0.02 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1a90 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a90 n ARG 68 N 0.00 1.93 -3.00 1.61 1.74 -1.26 -1.92 116.66 115.76 1a90 n ARG 68 Ca 0.00 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1a90 n ARG 68 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1a90 n ARG 68 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1a90 s THR 69 N -0.84 -0.80 0.00 0.55 -1.32 0.60 -3.56 115.64 110.27 1a90 s THR 69 Ca 0.00 -0.23 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 1a90 s THR 69 Cb 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.99 1a90 s THR 69 CO 0.00 0.00 0.00 1.07 -2.21 0.00 0.00 174.62 173.48 1a90 n THR 70 N 3.84 0.00 -3.05 5.08 5.66 0.18 -2.25 114.28 123.75 1a90 n THR 70 Ca 0.12 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.11 1a90 n THR 70 Cb 0.58 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.36 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 1.25 -1.37 -0.28 0.00 -0.04 -1.26 -4.11 135.00 129.18 1a90 n PRO 72 Ca -0.01 -0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1a90 n PRO 72 Cb 0.35 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.70 1a90 n PRO 72 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1a90 n LYS 73 N -1.84 0.00 0.00 0.54 4.81 -1.26 -4.32 118.16 116.10 1a90 n LYS 73 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1a90 n LYS 73 Cb 0.04 -1.95 0.00 0.00 0.02 0.00 0.00 35.03 33.14 1a90 n LYS 73 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1a90 n SER 74 N 0.00 0.00 0.00 3.14 3.41 -1.26 -4.70 113.62 114.21 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 -1.54 -0.16 0.00 0.00 175.04 173.34 1a90 n SER 75 N 3.76 0.00 0.00 4.04 3.41 -1.26 -4.68 113.62 118.89 1a90 n SER 75 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1a90 n SER 75 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1a90 n SER 75 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a90 n GLY 76 N 0.00 -1.27 0.00 5.00 0.00 -1.26 -4.93 105.19 102.73 1a90 n GLY 76 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1a90 n GLY 76 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a90 n ASP 77 N 0.00 0.00 0.00 1.61 8.00 -1.26 -5.06 116.55 119.84 1a90 n ASP 77 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1a90 n ASP 77 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1a90 n ASP 77 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1a90 n LEU 78 N 0.00 0.00 -3.51 0.64 4.77 -1.26 -5.16 117.00 112.48 1a90 n LEU 78 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1a90 n LEU 78 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1a90 n LEU 78 CO 0.00 0.00 0.67 -1.58 -1.33 0.00 0.00 177.39 175.15 1a90 s GLN 79 N 0.00 0.83 0.00 3.23 -0.44 -1.26 -5.08 119.66 116.94 1a90 s GLN 79 Ca 0.00 -0.20 0.00 0.00 -2.50 0.00 0.00 55.36 52.66 1a90 s GLN 79 Cb 0.00 0.38 0.00 0.00 -1.64 0.00 0.00 33.01 31.75 1a90 s GLN 79 CO 0.00 -0.34 0.00 0.43 0.50 0.00 0.00 175.29 175.88 1a90 n SER 80 N -0.01 0.00 -4.47 6.67 7.64 -1.26 -4.88 113.62 117.31 1a90 n SER 80 Ca -0.10 0.00 -0.51 0.00 1.01 0.00 0.00 58.87 59.26 1a90 n SER 80 Cb 0.61 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.76 1a90 n SER 80 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a90 s GLU 82 N -0.59 2.41 0.04 0.00 2.02 -1.26 -4.80 118.70 116.52 1a90 s GLU 82 Ca 0.74 -0.82 -0.08 0.00 0.02 0.00 0.00 54.97 54.82 1a90 s GLU 82 Cb -1.01 -2.43 -0.02 0.00 0.10 0.00 0.00 34.13 30.77 1a90 s GLU 82 CO 0.56 0.57 0.64 1.19 0.02 0.00 0.00 175.26 178.24 1a90 n PHE 83 N 1.30 -0.12 0.00 1.61 3.01 -1.23 0.49 117.46 122.51 1a90 n PHE 83 Ca -0.15 0.34 0.00 0.00 1.01 0.00 0.00 57.45 58.65 1a90 n PHE 83 Cb 0.52 -0.41 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 1a90 n PHE 83 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1a90 n HIS 84 N -3.66 0.00 -2.72 1.38 8.25 -1.26 -1.19 115.22 116.01 1a90 n HIS 84 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1a90 n HIS 84 Cb 0.07 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.23 1a90 n HIS 84 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1a90 n ASP 85 N 0.00 -4.67 -0.11 0.41 -0.08 -1.26 -4.66 116.55 106.17 1a90 n ASP 85 Ca 0.00 -0.47 0.00 0.00 -1.51 0.00 0.00 54.79 52.82 1a90 n ASP 85 Cb 0.00 -3.67 -0.00 0.00 2.34 0.00 0.00 41.12 39.79 1a90 n ASP 85 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1a90 n GLU 86 N -2.73 -0.07 0.00 -0.67 4.07 -1.26 -4.88 120.64 115.10 1a90 n GLU 86 Ca -0.07 0.05 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 1a90 n GLU 86 Cb 0.59 -0.09 0.00 0.00 -0.06 0.00 0.00 31.44 31.88 1a90 n GLU 86 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1a90 n PRO 87 N -0.47 0.00 -1.53 5.31 -0.04 -1.26 -3.76 135.00 133.24 1a90 n PRO 87 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1a90 n PRO 87 Cb 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.48 1a90 n PRO 87 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1a90 n GLU 88 N 0.00 -1.82 0.00 0.54 0.28 -1.26 -1.97 120.64 116.41 1a90 n GLU 88 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1a90 n GLU 88 Cb 0.00 -3.38 0.00 0.00 1.43 0.00 0.00 31.44 29.49 1a90 n GLU 88 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 1a90 n LEU 89 N -1.47 0.00 -2.14 -1.84 -0.00 -1.26 -4.98 117.00 105.31 1a90 n LEU 89 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.84 1a90 n LEU 89 Cb 0.23 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.56 1a90 n LEU 89 CO 0.00 0.00 1.51 0.00 -0.00 0.00 0.00 177.39 178.90 1a90 n ALA 90 N 0.00 6.09 -1.00 1.47 0.00 -0.83 -4.90 120.51 121.34 1a90 n ALA 90 Ca 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 53.44 51.29 1a90 n ALA 90 Cb 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.40 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 1.56 1.27 -4.04 0.00 5.02 -1.26 -4.74 118.16 115.97 1a90 n LYS 91 Ca 0.40 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.56 1a90 n LYS 91 Cb 0.70 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.68 1a90 n LYS 91 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1a90 s TYR 92 N -0.02 0.87 0.04 2.13 2.02 -1.26 -4.47 117.35 116.66 1a90 s TYR 92 Ca 0.00 -1.18 -0.05 0.00 -0.37 0.00 0.00 57.07 55.48 1a90 s TYR 92 Cb 0.00 0.07 -0.01 0.00 -0.40 0.00 0.00 41.96 41.62 1a90 s TYR 92 CO 0.00 -1.19 0.08 -0.08 -1.57 0.00 0.00 175.55 172.79 1a90 s THR 93 N -3.03 0.14 -0.41 -0.71 -1.32 0.33 -4.91 115.64 105.73 1a90 s THR 93 Ca 0.28 -1.14 -0.18 0.00 -1.21 0.00 0.00 61.69 59.44 1a90 s THR 93 Cb -0.01 -0.91 0.02 0.00 -1.51 0.00 0.00 72.50 70.09 1a90 s THR 93 CO 0.18 -0.63 0.48 -0.89 -2.21 0.00 0.00 174.62 171.55 1a90 s THR 94 N -2.66 5.03 0.18 5.08 2.01 -1.26 0.12 115.64 124.15 1a90 s THR 94 Ca -0.05 -0.17 0.10 0.00 0.31 0.00 0.00 61.69 61.89 1a90 s THR 94 Cb -0.01 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 1a90 s THR 94 CO -0.05 -0.42 -0.21 0.00 -0.69 0.00 0.00 174.62 173.26 1a90 s THR 96 N -1.91 1.04 -0.09 0.00 2.01 -0.62 -2.13 115.64 113.94 1a90 s THR 96 Ca 0.19 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 61.68 1a90 s THR 96 Cb -0.07 -0.89 -0.02 0.00 0.01 0.00 0.00 72.50 71.54 1a90 s THR 96 CO 0.09 0.30 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.79 1a90 s PHE 97 N -0.09 2.68 -0.31 4.92 0.08 -0.25 -1.79 117.98 123.22 1a90 s PHE 97 Ca 0.01 -0.53 0.02 0.00 0.12 0.00 0.00 56.93 56.56 1a90 s PHE 97 Cb -0.07 -1.72 0.09 0.00 -0.57 0.00 0.00 43.02 40.75 1a90 s PHE 97 CO 0.00 -0.10 0.02 0.08 -0.10 0.00 0.00 175.22 175.13 1a90 s VAL 98 N -0.11 1.89 -0.20 -0.44 1.01 -0.58 0.23 120.40 122.20 1a90 s VAL 98 Ca -0.03 -1.91 -0.06 0.00 0.00 0.00 0.00 61.98 59.98 1a90 s VAL 98 Cb -0.14 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1a90 s VAL 98 CO 0.04 -0.47 0.03 -0.69 0.00 0.00 0.00 175.10 174.01 1a90 s VAL 99 N 1.14 4.21 -0.23 2.92 1.01 -0.38 -1.67 120.40 127.40 1a90 s VAL 99 Ca 0.06 -0.22 -0.14 0.00 0.00 0.00 0.00 61.98 61.67 1a90 s VAL 99 Cb -0.19 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1a90 s VAL 99 CO -0.11 0.42 0.32 -0.47 0.00 0.00 0.00 175.10 175.26 1a90 s TYR 100 N 0.93 3.32 -0.15 5.22 6.14 -0.80 0.12 117.35 132.14 1a90 s TYR 100 Ca 0.02 0.44 0.02 0.00 0.64 0.00 0.00 57.07 58.20 1a90 s TYR 100 Cb -0.14 -2.46 0.01 0.00 0.42 0.00 0.00 41.96 39.79 1a90 s TYR 100 CO 0.02 -0.04 -0.21 0.45 0.64 0.00 0.00 175.55 176.41 1a90 s SER 101 N 1.20 3.08 -0.40 4.32 0.15 -0.42 -1.34 113.70 120.30 1a90 s SER 101 Ca 0.14 -0.60 -0.12 0.00 0.70 0.00 0.00 55.95 56.07 1a90 s SER 101 Cb -0.15 -1.43 0.03 0.00 -1.71 0.00 0.00 66.02 62.76 1a90 s SER 101 CO 0.07 0.06 0.26 -0.63 1.20 0.00 0.00 173.24 174.20 1a90 s ILE 102 N 0.91 4.81 0.03 6.45 1.01 -0.66 -1.96 121.20 131.78 1a90 s ILE 102 Ca -0.05 -0.87 -0.28 0.00 0.00 0.00 0.00 60.65 59.45 1a90 s ILE 102 Cb -0.15 -3.73 -0.17 0.00 0.01 0.00 0.00 42.46 38.43 1a90 s ILE 102 CO -0.04 -0.32 1.29 1.55 0.00 0.00 0.00 174.94 177.43 1a90 h PRO 103 N 8.52 -0.76 0.00 2.79 0.13 -1.93 0.78 132.00 141.53 1a90 h PRO 103 Ca -0.26 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1a90 h PRO 103 Cb 1.11 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1a90 h PRO 103 CO 0.72 -0.45 0.12 -2.67 -0.23 0.00 0.00 178.00 175.49 1a90 n TRP 104 N -5.35 0.31 -0.70 1.56 2.14 -1.26 -1.50 117.44 112.64 1a90 n TRP 104 Ca -0.12 0.16 0.00 0.00 2.07 0.00 0.00 57.50 59.62 1a90 n TRP 104 Cb 0.34 -0.66 0.01 0.00 -0.81 0.00 0.00 31.31 30.19 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 -1.79 0.80 -3.79 5.67 -0.00 -1.12 -5.01 117.00 111.75 1a90 n LEU 105 Ca -0.01 -0.89 -0.24 0.00 -0.00 0.00 0.00 56.01 54.87 1a90 n LEU 105 Cb 0.13 -0.02 -0.04 0.00 -0.00 0.00 0.00 43.42 43.50 1a90 n LEU 105 CO 0.04 0.22 -0.25 -3.20 -0.00 0.00 0.00 177.39 174.20 1a90 n ASN 106 N -0.23 -0.51 -4.09 1.96 2.85 0.26 -4.87 115.26 110.63 1a90 n ASN 106 Ca 0.01 -0.85 -0.33 0.00 -0.11 0.00 0.00 54.58 53.29 1a90 n ASN 106 Cb 0.43 -1.04 -0.14 0.00 1.24 0.00 0.00 39.78 40.27 1a90 n ASN 106 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1a90 s GLN 107 N -6.15 2.03 0.08 1.20 0.74 -0.56 -4.93 119.66 112.06 1a90 s GLN 107 Ca 0.11 -1.57 -0.04 0.00 0.05 0.00 0.00 55.36 53.91 1a90 s GLN 107 Cb -0.06 -3.19 -0.05 0.00 1.10 0.00 0.00 33.01 30.81 1a90 s GLN 107 CO 0.65 -0.78 0.30 0.42 -0.55 0.00 0.00 175.29 175.34 1a90 s ILE 108 N 1.09 5.26 -0.19 -2.34 1.01 -1.26 -1.66 121.20 123.10 1a90 s ILE 108 Ca 0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.55 1a90 s ILE 108 Cb -0.20 -3.61 0.07 0.00 0.01 0.00 0.00 42.46 38.73 1a90 s ILE 108 CO -0.05 0.17 0.45 -0.75 0.00 0.00 0.00 174.94 174.76 1a90 s LYS 109 N -2.32 0.41 0.80 2.79 2.20 -0.45 -5.00 119.74 118.17 1a90 s LYS 109 Ca 0.35 0.91 -0.11 0.00 -0.36 0.00 0.00 55.97 56.77 1a90 s LYS 109 Cb -0.13 0.10 0.07 0.00 -1.51 0.00 0.00 37.83 36.36 1a90 s LYS 109 CO 0.23 -0.18 1.09 -1.17 -0.36 0.00 0.00 175.35 174.96 1a90 s LEU 110 N 1.76 2.91 0.00 5.43 2.96 -1.26 -1.91 118.68 128.57 1a90 s LEU 110 Ca -0.08 1.80 0.00 0.00 -0.22 0.00 0.00 54.13 55.63 1a90 s LEU 110 Cb -0.09 -4.44 0.00 0.00 0.50 0.00 0.00 46.19 42.16 1a90 s LEU 110 CO -0.14 -2.19 0.00 0.18 -1.32 0.00 0.00 176.35 172.89 1a90 n LEU 111 N -3.62 0.00 -3.68 -0.68 4.32 -0.67 -4.84 117.00 107.83 1a90 n LEU 111 Ca 0.09 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.67 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 0.53 0.00 2.18 1.21 -1.22 0.00 0.00 177.39 180.10 1a90 n GLU 112 N -0.51 4.07 -3.44 3.23 2.13 -1.17 -4.85 120.64 120.11 1a90 n GLU 112 Ca 0.00 -3.48 -0.43 0.00 0.66 0.00 0.00 57.16 53.91 1a90 n GLU 112 Cb 0.00 -2.79 -0.03 0.00 0.27 0.00 0.00 31.44 28.89 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 0.63 6.53 0.22 4.31 1.04 -1.25 -1.53 113.70 123.66 1a90 s SER 113 Ca 0.47 -3.11 -0.22 0.00 0.48 0.00 0.00 55.95 53.56 1a90 s SER 113 Cb 0.14 -2.10 0.04 0.00 0.10 0.00 0.00 66.02 64.19 1a90 s SER 113 CO -0.04 -0.41 0.72 -0.75 0.98 0.00 0.00 173.24 173.75 1a90 s LYS 114 N -0.47 1.56 0.24 4.02 2.20 -0.74 -4.99 119.74 121.56 1a90 s LYS 114 Ca 0.22 -0.80 0.11 0.00 -0.36 0.00 0.00 55.97 55.15 1a90 s LYS 114 Cb -0.11 0.57 -0.05 0.00 -1.51 0.00 0.00 37.83 36.73 1a90 s LYS 114 CO -0.08 -0.71 -0.13 0.00 -0.36 0.00 0.00 175.35 174.07