#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 -2.50 0.09 4.61 0.00 -1.26 -5.12 121.76 117.58 1a90 s ALA 10 Ca 0.00 0.56 -0.27 0.00 0.00 0.00 0.00 51.96 52.24 1a90 s ALA 10 Cb 0.00 0.54 -0.06 0.00 0.00 0.00 0.00 23.12 23.60 1a90 s ALA 10 CO 0.00 -1.10 0.86 -1.25 0.00 0.00 0.00 175.76 174.27 1a90 s PRO 11 N -2.11 4.61 -0.11 0.00 0.04 -1.26 -3.57 135.00 132.59 1a90 s PRO 11 Ca 0.21 1.26 0.03 0.00 0.04 0.00 0.00 61.00 62.54 1a90 s PRO 11 Cb 0.04 -3.36 -0.00 0.00 0.04 0.00 0.00 34.50 31.22 1a90 s PRO 11 CO -0.04 0.28 -0.21 0.08 0.04 0.00 0.00 177.00 177.15 1a90 s VAL 12 N -0.13 2.34 0.53 -0.36 1.01 -1.26 -4.99 120.40 117.54 1a90 s VAL 12 Ca 0.42 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 61.33 1a90 s VAL 12 Cb -0.22 -1.93 -0.07 0.00 0.00 0.00 0.00 36.38 34.16 1a90 s VAL 12 CO 0.27 0.55 0.99 -2.16 0.00 0.00 0.00 175.10 174.74 1a90 s PRO 13 N 0.38 3.89 0.32 2.72 0.04 -1.26 -1.54 135.00 139.55 1a90 s PRO 13 Ca -0.16 0.91 0.07 0.00 0.04 0.00 0.00 61.00 61.86 1a90 s PRO 13 Cb -0.17 -2.13 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 1a90 s PRO 13 CO 0.07 -0.31 0.37 0.08 0.04 0.00 0.00 177.00 177.26 1a90 s VAL 14 N -2.70 3.97 0.04 -0.36 1.01 -1.20 -4.86 120.40 116.29 1a90 s VAL 14 Ca 0.58 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1a90 s VAL 14 Cb -0.10 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1a90 s VAL 14 CO 0.35 -0.19 0.01 0.47 0.00 0.00 0.00 175.10 175.73 1a90 n ASP 15 N -1.48 1.92 -1.67 3.32 8.00 -1.26 -4.99 116.55 120.39 1a90 n ASP 15 Ca -0.02 -1.15 -0.05 0.00 0.71 0.00 0.00 54.79 54.28 1a90 n ASP 15 Cb 0.59 0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.68 1a90 n ASP 15 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1a90 n GLU 16 N -0.18 1.32 -2.69 -1.24 -0.58 -1.26 -3.83 120.64 112.17 1a90 n GLU 16 Ca -0.01 -0.43 -0.06 0.00 -0.42 0.00 0.00 57.16 56.23 1a90 n GLU 16 Cb 0.05 -1.29 0.12 0.00 -0.57 0.00 0.00 31.44 29.74 1a90 n GLU 16 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1a90 n ASN 17 N 1.54 -1.83 -3.49 1.62 4.13 -1.26 -5.04 115.26 110.93 1a90 n ASN 17 Ca 0.13 -2.41 -0.27 0.00 1.68 0.00 0.00 54.58 53.71 1a90 n ASN 17 Cb 0.59 0.97 -0.10 0.00 -1.54 0.00 0.00 39.78 39.70 1a90 n ASN 17 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1a90 n ASP 18 N -0.74 1.34 -0.19 6.41 2.03 -1.25 -4.94 116.55 119.21 1a90 n ASP 18 Ca -0.06 -2.86 0.28 0.00 0.52 0.00 0.00 54.79 52.68 1a90 n ASP 18 Cb 0.85 -0.65 0.48 0.00 -0.72 0.00 0.00 41.12 41.09 1a90 n ASP 18 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1a90 h GLU 19 N 4.95 0.00 0.32 -0.67 4.81 -1.96 0.47 114.58 122.50 1a90 h GLU 19 Ca 0.18 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1a90 h GLU 19 Cb 0.82 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1a90 h GLU 19 CO 0.57 0.00 -0.16 0.78 -0.73 0.00 0.00 179.01 179.47 1a90 h GLY 20 N 0.00 -0.45 1.27 1.92 0.00 -1.99 -1.07 103.07 102.75 1a90 h GLY 20 Ca 0.47 0.17 0.03 0.00 0.00 0.00 0.00 47.33 48.00 1a90 h GLY 20 CO -0.00 -0.16 0.42 -2.00 0.00 0.00 0.00 176.54 174.79 1a90 h LEU 21 N -0.81 0.66 -0.88 3.11 7.12 -0.51 -0.71 115.31 123.29 1a90 h LEU 21 Ca -0.04 -0.01 -0.04 0.00 0.13 0.00 0.00 57.88 57.91 1a90 h LEU 21 Cb 0.52 -0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 40.46 1a90 h LEU 21 CO 0.07 0.45 0.31 1.56 -0.13 0.00 0.00 178.44 180.71 1a90 h GLN 22 N 0.76 1.13 0.00 1.25 4.20 -1.17 0.84 115.11 122.13 1a90 h GLN 22 Ca 0.25 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1a90 h GLN 22 Cb 0.06 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.65 1a90 h GLN 22 CO -0.07 0.91 0.00 -0.09 -0.67 0.00 0.00 178.83 178.91 1a90 h ARG 23 N 1.11 0.00 0.11 1.46 2.43 0.19 -1.13 114.38 118.54 1a90 h ARG 23 Ca 0.26 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 1a90 h ARG 23 Cb 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1a90 h ARG 23 CO -0.02 0.00 -0.05 0.00 -1.51 0.00 0.00 179.97 178.39 1a90 h ALA 24 N 2.12 -0.14 -0.41 2.80 0.00 -0.03 -1.41 119.26 122.19 1a90 h ALA 24 Ca 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1a90 h ALA 24 Cb 0.43 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1a90 h ALA 24 CO 0.00 -0.18 -0.00 1.25 0.00 0.00 0.00 179.25 180.32 1a90 h LEU 25 N -0.95 0.63 -0.85 0.00 7.12 -1.23 -2.01 115.31 118.03 1a90 h LEU 25 Ca -0.01 -0.14 -0.05 0.00 0.13 0.00 0.00 57.88 57.81 1a90 h LEU 25 Cb 0.49 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.44 1a90 h LEU 25 CO 0.02 0.71 -0.23 1.56 -0.13 0.00 0.00 178.44 180.37 1a90 h GLN 26 N 0.63 0.00 0.19 1.25 1.08 -1.28 0.36 115.11 117.33 1a90 h GLN 26 Ca 0.13 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 1a90 h GLN 26 Cb 0.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1a90 h GLN 26 CO 0.02 0.23 -0.09 0.35 -0.95 0.00 0.00 178.83 178.38 1a90 h PHE 27 N 0.00 -0.23 -0.00 2.96 3.04 -0.53 -1.22 116.94 120.95 1a90 h PHE 27 Ca -0.00 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 1a90 h PHE 27 Cb 0.86 0.08 -0.00 0.00 2.56 0.00 0.00 35.95 39.45 1a90 h PHE 27 CO 0.00 0.08 -0.00 0.00 -2.02 0.00 0.00 178.31 176.37 1a90 h ALA 28 N -0.67 0.00 -0.98 2.41 0.00 -1.52 -2.70 119.26 115.79 1a90 h ALA 28 Ca -0.03 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.71 1a90 h ALA 28 Cb 0.42 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1a90 h ALA 28 CO 0.04 -0.26 0.63 0.97 0.00 0.00 0.00 179.25 180.64 1a90 h ILE 29 N -0.46 1.10 -0.84 0.00 6.09 0.13 0.37 117.51 123.90 1a90 h ILE 29 Ca 0.00 -0.40 0.13 0.00 -1.37 0.00 0.00 64.86 63.22 1a90 h ILE 29 Cb 0.47 -0.17 -0.06 0.00 0.47 0.00 0.00 36.82 37.53 1a90 h ILE 29 CO 0.00 0.21 0.55 0.00 -3.07 0.00 0.00 178.15 175.84 1a90 h ALA 30 N 1.44 1.86 0.00 0.18 0.00 -1.11 0.43 119.26 122.06 1a90 h ALA 30 Ca 0.42 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.22 1a90 h ALA 30 Cb 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1a90 h ALA 30 CO -0.16 -0.08 -0.55 0.93 0.00 0.00 0.00 179.25 179.40 1a90 h GLU 31 N 0.66 0.00 -0.10 0.00 3.07 0.01 -2.43 114.58 115.79 1a90 h GLU 31 Ca 0.41 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.25 1a90 h GLU 31 Cb 0.67 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.58 1a90 h GLU 31 CO -0.17 0.55 -0.04 -0.92 -1.40 0.00 0.00 179.01 177.02 1a90 h TYR 32 N 0.00 0.23 -0.61 4.33 3.20 0.11 -1.55 116.97 122.67 1a90 h TYR 32 Ca -0.01 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 1a90 h TYR 32 Cb 1.08 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.27 1a90 h TYR 32 CO 0.00 0.54 0.36 -2.95 -1.64 0.00 0.00 178.16 174.47 1a90 h ASN 33 N -0.15 0.74 0.55 -2.11 -1.07 -1.29 -0.31 115.58 111.95 1a90 h ASN 33 Ca 0.02 -0.07 0.00 0.00 0.07 0.00 0.00 56.30 56.32 1a90 h ASN 33 Cb 0.48 -0.19 0.00 0.00 -2.07 0.00 0.00 38.32 36.54 1a90 h ASN 33 CO 0.01 0.59 0.00 -0.09 0.07 0.00 0.00 177.43 178.02 1a90 h ARG 34 N 0.83 0.00 0.07 4.14 2.43 -1.35 0.30 114.38 120.80 1a90 h ARG 34 Ca 0.22 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.18 1a90 h ARG 34 Cb -0.01 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1a90 h ARG 34 CO -0.04 0.00 -1.08 0.00 -1.51 0.00 0.00 179.97 177.34 1a90 h ALA 35 N 2.16 0.14 -0.01 2.80 0.00 -0.03 -3.35 119.26 120.97 1a90 h ALA 35 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 53.93 1a90 h ALA 35 Cb 0.27 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1a90 h ALA 35 CO 0.00 0.62 -0.19 0.45 0.00 0.00 0.00 179.25 180.13 1a90 n SER 36 N -4.17 1.17 -0.53 0.00 2.88 -0.66 -4.30 113.62 108.00 1a90 n SER 36 Ca -0.23 -1.06 0.43 0.00 -1.33 0.00 0.00 58.87 56.68 1a90 n SER 36 Cb 0.77 0.10 0.66 0.00 -0.75 0.00 0.00 64.21 64.99 1a90 n SER 36 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1a90 n ASN 37 N -0.42 0.00 0.00 -3.46 0.23 0.10 -1.96 115.26 109.75 1a90 n ASN 37 Ca 0.14 0.84 0.00 0.00 -0.53 0.00 0.00 54.58 55.03 1a90 n ASN 37 Cb 0.35 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.66 1a90 n ASN 37 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1a90 n ASP 38 N -3.56 0.00 0.36 0.53 2.03 -1.26 -3.95 116.55 110.70 1a90 n ASP 38 Ca 0.36 0.20 -0.19 0.00 0.52 0.00 0.00 54.79 55.67 1a90 n ASP 38 Cb 1.72 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 42.02 1a90 n ASP 38 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1a90 h LYS 39 N 0.00 -1.04 0.00 -0.67 1.57 -1.79 -3.48 116.57 111.16 1a90 h LYS 39 Ca 0.00 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1a90 h LYS 39 Cb 0.00 0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1a90 h LYS 39 CO 0.00 -0.69 0.00 2.48 -0.57 0.00 0.00 179.45 180.67 1a90 n TYR 40 N -5.59 0.00 -4.27 -1.35 0.18 -0.83 -4.52 117.16 100.79 1a90 n TYR 40 Ca -0.13 0.00 -0.28 0.00 1.88 0.00 0.00 57.90 59.36 1a90 n TYR 40 Cb 0.47 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.33 1a90 n TYR 40 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 1a90 s SER 41 N 1.85 4.24 -0.26 9.48 0.01 -1.07 -2.15 113.70 125.80 1a90 s SER 41 Ca 0.00 -0.50 -0.10 0.00 1.31 0.00 0.00 55.95 56.66 1a90 s SER 41 Cb 0.00 -0.73 -0.04 0.00 0.21 0.00 0.00 66.02 65.46 1a90 s SER 41 CO 0.00 0.14 0.15 -0.44 0.41 0.00 0.00 173.24 173.50 1a90 s SER 42 N -2.48 5.79 0.08 2.44 0.01 -1.26 0.49 113.70 118.76 1a90 s SER 42 Ca 0.22 -0.03 0.09 0.00 1.31 0.00 0.00 55.95 57.54 1a90 s SER 42 Cb -0.10 -2.06 -0.03 0.00 0.21 0.00 0.00 66.02 64.04 1a90 s SER 42 CO 0.14 -0.01 -0.24 -0.13 0.41 0.00 0.00 173.24 173.41 1a90 s ARG 43 N 1.51 1.45 1.03 12.44 0.52 -0.80 -3.97 118.95 131.13 1a90 s ARG 43 Ca 0.07 -1.14 -0.15 0.00 -0.52 0.00 0.00 55.73 53.99 1a90 s ARG 43 Cb -0.15 -1.71 0.23 0.00 0.52 0.00 0.00 34.95 33.84 1a90 s ARG 43 CO 0.07 0.42 0.52 1.55 0.02 0.00 0.00 175.30 177.88 1a90 n VAL 44 N 1.44 0.00 0.00 3.52 3.14 -1.26 -1.21 118.33 123.95 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 -0.59 0.00 0.00 -1.06 0.00 0.00 33.84 32.72 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 -4.66 0.00 -3.64 1.55 0.31 -1.26 -4.34 118.33 106.29 1a90 n VAL 45 Ca 0.08 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.12 1a90 n VAL 45 Cb 0.36 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.16 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 -0.44 1.07 1.04 5.55 3.52 -1.26 -5.03 118.95 123.40 1a90 s ARG 46 Ca 0.00 -1.80 -0.23 0.00 -0.13 0.00 0.00 55.73 53.57 1a90 s ARG 46 Cb 0.00 -2.03 -0.07 0.00 -1.56 0.00 0.00 34.95 31.28 1a90 s ARG 46 CO 0.00 -1.17 -0.83 0.28 -0.81 0.00 0.00 175.30 172.76 1a90 n VAL 47 N 3.70 0.00 0.06 7.11 0.31 -1.26 -3.84 118.33 124.40 1a90 n VAL 47 Ca 0.10 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1a90 n VAL 47 Cb 0.35 -0.25 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 -3.74 0.00 -3.67 2.52 5.41 -0.01 -4.86 119.36 115.01 1a90 n ILE 48 Ca -0.01 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.45 1a90 n ILE 48 Cb 0.68 -0.45 -0.13 0.00 -0.71 0.00 0.00 39.64 39.03 1a90 n ILE 48 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1a90 s SER 49 N -4.70 3.53 -0.46 4.38 0.01 -1.21 -4.94 113.70 110.31 1a90 s SER 49 Ca 0.00 -2.53 -0.12 0.00 1.31 0.00 0.00 55.95 54.61 1a90 s SER 49 Cb 0.00 -0.92 0.09 0.00 0.21 0.00 0.00 66.02 65.41 1a90 s SER 49 CO 0.00 -0.28 0.35 0.00 0.41 0.00 0.00 173.24 173.72 1a90 s ALA 50 N 0.50 3.43 0.14 1.44 0.00 -1.26 -1.98 121.76 124.03 1a90 s ALA 50 Ca 0.18 -2.28 0.01 0.00 0.00 0.00 0.00 51.96 49.86 1a90 s ALA 50 Cb -0.24 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 1a90 s ALA 50 CO 0.01 -1.78 -0.01 0.15 0.00 0.00 0.00 175.76 174.13 1a90 s LYS 51 N 1.49 0.96 -0.48 0.00 1.02 -0.50 -3.23 119.74 118.99 1a90 s LYS 51 Ca 0.04 -1.44 0.03 0.00 0.02 0.00 0.00 55.97 54.62 1a90 s LYS 51 Cb -0.25 -0.11 0.15 0.00 -0.52 0.00 0.00 37.83 37.10 1a90 s LYS 51 CO 0.03 -0.13 0.32 1.03 -0.92 0.00 0.00 175.35 175.68 1a90 s ARG 52 N -3.92 1.39 0.56 1.68 0.52 -0.59 -1.40 118.95 117.18 1a90 s ARG 52 Ca 0.20 -2.29 -0.18 0.00 -0.52 0.00 0.00 55.73 52.94 1a90 s ARG 52 Cb 0.06 -2.24 -0.12 0.00 0.52 0.00 0.00 34.95 33.17 1a90 s ARG 52 CO 0.00 -1.26 0.09 1.04 0.02 0.00 0.00 175.30 175.19 1a90 n GLN 53 N 3.03 0.18 -3.91 3.54 6.02 0.18 -4.08 117.38 122.34 1a90 n GLN 53 Ca 0.17 0.07 -0.30 0.00 -0.01 0.00 0.00 57.00 56.93 1a90 n GLN 53 Cb 0.39 -1.27 -0.14 0.00 1.02 0.00 0.00 30.24 30.23 1a90 n GLN 53 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1a90 s LEU 54 N 3.49 4.01 0.00 1.08 2.96 -1.23 -1.71 118.68 127.28 1a90 s LEU 54 Ca 0.60 -2.63 0.00 0.00 -0.22 0.00 0.00 54.13 51.89 1a90 s LEU 54 Cb -0.46 -1.48 0.00 0.00 0.50 0.00 0.00 46.19 44.75 1a90 s LEU 54 CO 0.63 -0.29 0.00 0.55 -1.32 0.00 0.00 176.35 175.92 1a90 n VAL 55 N 3.60 0.00 -0.63 1.68 3.14 -1.26 -4.62 118.33 120.25 1a90 n VAL 55 Ca 0.05 0.00 0.48 0.00 -2.96 0.00 0.00 64.34 61.91 1a90 n VAL 55 Cb 0.36 0.00 0.76 0.00 -1.06 0.00 0.00 33.84 33.89 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 -4.48 113.62 117.90 1a90 n SER 56 Ca 0.00 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.68 1a90 n SER 56 Cb 0.00 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 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 -1.78 4.80 3.05 5.00 0.00 -1.26 -4.90 105.19 110.10 1a90 n GLY 57 Ca 0.42 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 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 3.68 0.31 -0.09 -0.61 1.09 0.64 -4.44 121.20 121.76 1a90 s ILE 58 Ca 0.00 -1.35 0.04 0.00 -1.10 0.00 0.00 60.65 58.24 1a90 s ILE 58 Cb 0.00 -0.90 -0.00 0.00 -1.06 0.00 0.00 42.46 40.50 1a90 s ILE 58 CO 0.00 -0.68 -0.24 -0.54 -0.10 0.00 0.00 174.94 173.39 1a90 s LYS 59 N -2.55 2.91 -0.55 2.79 1.02 -0.69 -1.06 119.74 121.61 1a90 s LYS 59 Ca -0.04 -0.86 -0.12 0.00 0.02 0.00 0.00 55.97 54.97 1a90 s LYS 59 Cb -0.02 -2.23 0.14 0.00 -0.52 0.00 0.00 37.83 35.19 1a90 s LYS 59 CO -0.04 0.20 0.46 0.71 -0.92 0.00 0.00 175.35 175.76 1a90 s TYR 60 N 0.29 3.40 -0.34 3.18 1.51 0.24 0.48 117.35 126.11 1a90 s TYR 60 Ca -0.17 -1.72 -0.12 0.00 -1.01 0.00 0.00 57.07 54.05 1a90 s TYR 60 Cb -0.17 -3.63 -0.01 0.00 -0.11 0.00 0.00 41.96 38.03 1a90 s TYR 60 CO 0.08 -1.00 0.21 0.42 -1.11 0.00 0.00 175.55 174.16 1a90 s ILE 61 N 1.22 5.04 0.21 2.71 -1.09 -0.49 -1.22 121.20 127.57 1a90 s ILE 61 Ca 0.07 -0.33 0.11 0.00 -2.23 0.00 0.00 60.65 58.27 1a90 s ILE 61 Cb -0.25 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 1a90 s ILE 61 CO -0.01 -0.01 -0.22 -0.22 -1.23 0.00 0.00 174.94 173.25 1a90 s LEU 62 N 1.68 2.51 -0.04 2.97 0.20 -0.12 -1.42 118.68 124.47 1a90 s LEU 62 Ca 0.05 -0.87 -0.08 0.00 0.69 0.00 0.00 54.13 53.93 1a90 s LEU 62 Cb -0.17 -1.20 0.01 0.00 -0.43 0.00 0.00 46.19 44.40 1a90 s LEU 62 CO 0.09 0.11 0.18 -1.10 -0.29 0.00 0.00 176.35 175.34 1a90 s GLN 63 N -2.83 0.36 -0.23 1.98 1.11 -0.84 -1.14 119.66 118.07 1a90 s GLN 63 Ca 0.23 -0.03 -0.27 0.00 0.01 0.00 0.00 55.36 55.30 1a90 s GLN 63 Cb -0.07 0.16 0.11 0.00 -1.01 0.00 0.00 33.01 32.20 1a90 s GLN 63 CO 0.11 -0.07 0.96 0.14 0.01 0.00 0.00 175.29 176.43 1a90 s VAL 64 N -0.59 0.00 -1.39 1.09 -7.23 -0.90 -0.83 120.40 110.56 1a90 s VAL 64 Ca -0.07 0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 59.98 1a90 s VAL 64 Cb -0.04 -1.00 0.09 0.00 0.56 0.00 0.00 36.38 35.99 1a90 s VAL 64 CO 0.01 0.00 2.07 -0.62 -0.31 0.00 0.00 175.10 176.25 1a90 n GLU 65 N 1.83 3.14 -0.70 4.82 1.02 -1.25 -1.85 120.64 127.65 1a90 n GLU 65 Ca -0.13 -2.98 -0.23 0.00 -0.02 0.00 0.00 57.16 53.80 1a90 n GLU 65 Cb 0.56 -3.17 0.02 0.00 -0.02 0.00 0.00 31.44 28.83 1a90 n GLU 65 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1a90 n ILE 66 N 4.56 0.00 -3.65 -3.67 2.08 0.29 -3.93 119.36 115.03 1a90 n ILE 66 Ca 0.47 -0.31 0.00 0.00 0.56 0.00 0.00 62.75 63.47 1a90 n ILE 66 Cb 0.39 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.28 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 1.90 4.56 1.44 7.39 0.00 -0.35 -0.38 105.19 119.74 1a90 n GLY 67 Ca 0.02 -1.64 -0.12 0.00 0.00 0.00 0.00 46.02 44.27 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 1.28 -3.17 1.61 1.74 -1.26 -1.90 116.66 114.96 1a90 n ARG 68 Ca 0.00 -1.47 -0.03 0.00 -0.77 0.00 0.00 57.85 55.58 1a90 n ARG 68 Cb 0.00 0.51 -0.02 0.00 -1.02 0.00 0.00 32.46 31.94 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 -1.87 -0.89 0.00 0.55 -1.32 0.18 -3.41 115.64 108.88 1a90 s THR 69 Ca 0.03 -0.33 0.00 0.00 -1.21 0.00 0.00 61.69 60.17 1a90 s THR 69 Cb 0.00 -0.11 0.00 0.00 -1.51 0.00 0.00 72.50 70.88 1a90 s THR 69 CO 0.02 -0.10 0.00 1.07 -2.21 0.00 0.00 174.62 173.40 1a90 n THR 70 N 4.14 0.00 -1.00 5.08 5.66 0.36 -2.59 114.28 125.94 1a90 n THR 70 Ca 0.12 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.79 1a90 n THR 70 Cb 0.55 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.31 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 0.78 0.00 0.04 0.00 -0.04 -1.26 -3.36 135.00 131.17 1a90 n PRO 72 Ca 0.12 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 1a90 n PRO 72 Cb 0.21 -0.58 0.00 0.00 -0.04 0.00 0.00 33.50 33.08 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 -1.52 0.00 0.00 0.54 5.02 -1.26 -4.49 118.16 116.45 1a90 n LYS 73 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1a90 n LYS 73 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1a90 n LYS 73 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1a90 n SER 74 N -2.77 0.00 -3.38 4.39 7.64 -1.26 -4.81 113.62 113.42 1a90 n SER 74 Ca 0.00 0.17 -0.20 0.00 1.01 0.00 0.00 58.87 59.84 1a90 n SER 74 Cb 0.00 -0.48 -0.03 0.00 -1.01 0.00 0.00 64.21 62.69 1a90 n SER 74 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1a90 n SER 75 N -2.28 -2.10 -3.94 6.43 2.88 -1.26 -0.26 113.62 113.09 1a90 n SER 75 Ca 0.00 -0.31 -0.32 0.00 -1.33 0.00 0.00 58.87 56.91 1a90 n SER 75 Cb 0.00 -1.83 -0.00 0.00 -0.75 0.00 0.00 64.21 61.62 1a90 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a90 n GLY 76 N -0.87 -0.55 0.00 0.46 0.00 -1.26 -4.84 105.19 98.13 1a90 n GLY 76 Ca 0.03 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.74 0.34 0.00 1.61 5.75 0.64 -5.05 116.55 117.10 1a90 n ASP 77 Ca -0.21 -0.68 0.00 0.00 -0.01 0.00 0.00 54.79 53.89 1a90 n ASP 77 Cb 0.64 0.29 0.00 0.00 -1.03 0.00 0.00 41.12 41.02 1a90 n ASP 77 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1a90 n LEU 78 N -0.29 0.00 -3.42 -2.12 7.99 -1.26 -3.94 117.00 113.95 1a90 n LEU 78 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 56.01 55.80 1a90 n LEU 78 Cb 0.05 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.25 1a90 n LEU 78 CO 0.00 0.00 -0.21 0.00 -1.51 0.00 0.00 177.39 175.67 1a90 s GLN 79 N 0.00 0.37 0.00 3.23 -2.07 -1.26 -4.98 119.66 114.96 1a90 s GLN 79 Ca 0.00 -0.44 0.00 0.00 -1.82 0.00 0.00 55.36 53.10 1a90 s GLN 79 Cb 0.00 -0.81 0.00 0.00 -1.09 0.00 0.00 33.01 31.11 1a90 s GLN 79 CO 0.00 -1.07 0.00 0.45 -1.32 0.00 0.00 175.29 173.35 1a90 n SER 80 N 5.00 0.00 -1.19 12.60 2.88 -1.25 -5.16 113.62 126.50 1a90 n SER 80 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1a90 n SER 80 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1a90 n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a90 s GLU 82 N -4.64 0.96 0.00 0.00 1.03 -1.26 -4.97 118.70 109.82 1a90 s GLU 82 Ca 0.00 -0.04 0.00 0.00 0.03 0.00 0.00 54.97 54.96 1a90 s GLU 82 Cb 0.00 0.45 0.00 0.00 -0.80 0.00 0.00 34.13 33.78 1a90 s GLU 82 CO 0.00 -0.36 0.00 1.19 -1.33 0.00 0.00 175.26 174.76 1a90 n PHE 83 N 0.35 0.00 -2.57 4.83 3.01 -1.22 0.14 117.46 121.99 1a90 n PHE 83 Ca -0.15 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.13 1a90 n PHE 83 Cb 0.60 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.08 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 0.00 2.36 -1.03 1.38 8.25 -1.26 -1.25 115.22 123.67 1a90 n HIS 84 Ca 0.00 -2.98 -0.06 0.00 -0.26 0.00 0.00 57.72 54.42 1a90 n HIS 84 Cb 0.00 -0.22 -0.03 0.00 1.12 0.00 0.00 29.99 30.86 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 -0.28 -4.43 0.00 0.41 2.03 -1.26 -4.73 116.55 108.30 1a90 n ASP 85 Ca 0.25 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.71 1a90 n ASP 85 Cb 0.73 -3.18 0.00 0.00 -0.72 0.00 0.00 41.12 37.95 1a90 n ASP 85 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1a90 n GLU 86 N -0.31 -2.33 0.06 -0.67 1.02 -1.26 -4.98 120.64 112.16 1a90 n GLU 86 Ca -0.06 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.96 1a90 n GLU 86 Cb 0.43 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.72 1a90 n GLU 86 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1a90 h PRO 87 N 0.00 0.12 0.00 3.49 0.13 -1.93 -3.33 132.00 130.48 1a90 h PRO 87 Ca 0.00 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1a90 h PRO 87 Cb 0.00 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.21 1a90 h PRO 87 CO 0.00 0.99 0.57 1.49 -0.23 0.00 0.00 178.00 180.82 1a90 h GLU 88 N 0.03 0.00 -0.17 0.86 4.81 -1.94 -2.20 114.58 115.98 1a90 h GLU 88 Ca -0.14 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.89 1a90 h GLU 88 Cb 1.91 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 31.06 1a90 h GLU 88 CO 0.14 0.00 -0.56 1.47 -0.73 0.00 0.00 179.01 179.33 1a90 n LEU 89 N -2.24 -0.49 -3.17 1.64 -0.00 -1.26 -4.97 117.00 106.53 1a90 n LEU 89 Ca -0.01 -3.20 -0.24 0.00 -0.00 0.00 0.00 56.01 52.57 1a90 n LEU 89 Cb 0.59 0.21 -0.05 0.00 -0.00 0.00 0.00 43.42 44.17 1a90 n LEU 89 CO 0.05 1.52 -0.07 0.00 -0.00 0.00 0.00 177.39 178.88 1a90 n ALA 90 N -1.15 3.28 -0.75 1.47 0.00 -0.83 -4.69 120.51 117.85 1a90 n ALA 90 Ca -0.08 -4.05 -0.04 0.00 0.00 0.00 0.00 53.44 49.26 1a90 n ALA 90 Cb 0.85 -0.84 0.07 0.00 0.00 0.00 0.00 19.45 19.53 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 0.49 -0.56 -4.10 0.00 5.02 -1.26 -4.77 118.16 112.97 1a90 n LYS 91 Ca 0.27 -0.35 -0.15 0.00 -2.02 0.00 0.00 58.31 56.06 1a90 n LYS 91 Cb 0.50 -0.72 -0.05 0.00 -0.02 0.00 0.00 35.03 34.75 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 -1.26 1.10 0.03 2.13 2.02 -1.26 -4.36 117.35 115.75 1a90 s TYR 92 Ca 0.16 -1.31 -0.01 0.00 -0.37 0.00 0.00 57.07 55.54 1a90 s TYR 92 Cb -0.03 -0.14 -0.02 0.00 -0.40 0.00 0.00 41.96 41.37 1a90 s TYR 92 CO 0.13 -1.10 -0.01 -0.08 -1.57 0.00 0.00 175.55 172.92 1a90 s THR 93 N -3.14 0.14 -0.41 -0.71 -1.32 0.49 -4.90 115.64 105.79 1a90 s THR 93 Ca 0.31 -1.18 -0.18 0.00 -1.21 0.00 0.00 61.69 59.43 1a90 s THR 93 Cb -0.00 -0.70 0.01 0.00 -1.51 0.00 0.00 72.50 70.31 1a90 s THR 93 CO 0.20 -0.65 0.50 -0.89 -2.21 0.00 0.00 174.62 171.57 1a90 s THR 94 N -2.29 5.01 0.15 5.08 2.01 -1.26 0.10 115.64 124.45 1a90 s THR 94 Ca -0.08 -0.06 0.11 0.00 0.31 0.00 0.00 61.69 61.96 1a90 s THR 94 Cb -0.04 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1a90 s THR 94 CO -0.04 -0.40 -0.22 0.00 -0.69 0.00 0.00 174.62 173.26 1a90 s THR 96 N -1.35 1.37 -0.10 0.00 2.01 -0.62 -2.11 115.64 114.85 1a90 s THR 96 Ca 0.18 -0.67 -0.00 0.00 0.31 0.00 0.00 61.69 61.51 1a90 s THR 96 Cb -0.09 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 1a90 s THR 96 CO 0.09 0.40 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.98 1a90 s PHE 97 N 0.15 2.92 -0.33 4.92 0.08 -0.29 -1.57 117.98 123.86 1a90 s PHE 97 Ca -0.06 -0.18 0.02 0.00 0.12 0.00 0.00 56.93 56.83 1a90 s PHE 97 Cb -0.12 -1.78 0.10 0.00 -0.57 0.00 0.00 43.02 40.64 1a90 s PHE 97 CO 0.03 0.14 0.08 0.08 -0.10 0.00 0.00 175.22 175.45 1a90 s VAL 98 N -0.33 1.63 -0.20 -0.44 1.01 -0.57 -0.94 120.40 120.56 1a90 s VAL 98 Ca 0.04 -1.93 -0.03 0.00 0.00 0.00 0.00 61.98 60.06 1a90 s VAL 98 Cb -0.13 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 1a90 s VAL 98 CO 0.02 -0.64 -0.08 -0.69 0.00 0.00 0.00 175.10 173.71 1a90 s VAL 99 N 1.20 3.18 -0.14 2.92 1.01 -0.36 -0.86 120.40 127.35 1a90 s VAL 99 Ca 0.11 -0.57 -0.24 0.00 0.00 0.00 0.00 61.98 61.28 1a90 s VAL 99 Cb -0.18 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 1a90 s VAL 99 CO -0.16 0.46 0.76 -0.47 0.00 0.00 0.00 175.10 175.69 1a90 s TYR 100 N 1.20 3.46 -0.23 5.22 5.04 -0.45 0.79 117.35 132.37 1a90 s TYR 100 Ca 0.02 1.20 0.02 0.00 -2.44 0.00 0.00 57.07 55.87 1a90 s TYR 100 Cb -0.14 -2.92 0.04 0.00 0.35 0.00 0.00 41.96 39.29 1a90 s TYR 100 CO -0.02 -0.13 -0.13 -1.54 -1.34 0.00 0.00 175.55 172.39 1a90 s SER 101 N 1.06 3.98 -0.29 4.32 1.04 -0.23 -1.48 113.70 122.10 1a90 s SER 101 Ca 0.37 -1.07 -0.05 0.00 0.48 0.00 0.00 55.95 55.68 1a90 s SER 101 Cb -0.17 -1.54 0.02 0.00 0.10 0.00 0.00 66.02 64.43 1a90 s SER 101 CO 0.14 -0.12 0.04 -0.63 0.98 0.00 0.00 173.24 173.65 1a90 s ILE 102 N 1.20 3.54 1.11 -1.02 1.01 -0.71 -0.26 121.20 126.07 1a90 s ILE 102 Ca -0.03 -0.91 -0.19 0.00 0.00 0.00 0.00 60.65 59.52 1a90 s ILE 102 Cb -0.17 -2.86 0.28 0.00 0.01 0.00 0.00 42.46 39.72 1a90 s ILE 102 CO -0.08 0.06 0.94 -0.81 0.00 0.00 0.00 174.94 175.06 1a90 n PRO 103 N 4.78 -3.10 0.00 2.79 -0.04 -1.26 -2.02 135.00 136.14 1a90 n PRO 103 Ca -0.15 -1.52 0.00 0.00 -0.04 0.00 0.00 63.50 61.80 1a90 n PRO 103 Cb 0.47 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1a90 n PRO 103 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1a90 n TRP 104 N -4.70 0.00 -1.41 0.54 2.14 -1.26 -4.27 117.44 108.48 1a90 n TRP 104 Ca 0.13 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.70 1a90 n TRP 104 Cb 0.52 -0.62 0.00 0.00 -0.81 0.00 0.00 31.31 30.40 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 0.00 0.00 -3.88 5.67 -0.00 -1.24 -5.02 117.00 112.53 1a90 n LEU 105 Ca 0.00 -0.33 -0.28 0.00 -0.00 0.00 0.00 56.01 55.40 1a90 n LEU 105 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 1a90 n LEU 105 CO 0.00 0.18 -0.20 -3.20 -0.00 0.00 0.00 177.39 174.18 1a90 n ASN 106 N 0.00 -1.45 -4.09 1.96 5.15 -1.13 -4.85 115.26 110.85 1a90 n ASN 106 Ca 0.00 -0.88 -0.36 0.00 -0.60 0.00 0.00 54.58 52.74 1a90 n ASN 106 Cb 0.54 -1.07 -0.11 0.00 -0.53 0.00 0.00 39.78 38.61 1a90 n ASN 106 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1a90 s GLN 107 N -6.42 2.27 -0.13 1.20 -1.52 -0.86 -4.99 119.66 109.21 1a90 s GLN 107 Ca 0.21 -2.26 -0.06 0.00 -1.95 0.00 0.00 55.36 51.29 1a90 s GLN 107 Cb -0.12 -3.62 -0.04 0.00 -0.22 0.00 0.00 33.01 29.01 1a90 s GLN 107 CO 0.67 -1.12 0.11 -1.50 -0.25 0.00 0.00 175.29 173.19 1a90 s ILE 108 N 0.39 5.22 -0.04 1.08 2.07 -1.26 -1.74 121.20 126.92 1a90 s ILE 108 Ca 0.14 0.10 -0.13 0.00 -1.41 0.00 0.00 60.65 59.35 1a90 s ILE 108 Cb -0.22 -3.28 0.02 0.00 0.13 0.00 0.00 42.46 39.12 1a90 s ILE 108 CO -0.04 0.59 0.29 -0.75 -1.91 0.00 0.00 174.94 173.12 1a90 s LYS 109 N -0.75 0.57 0.69 3.50 2.36 -0.55 -5.00 119.74 120.55 1a90 s LYS 109 Ca 0.13 -0.05 -0.11 0.00 -2.55 0.00 0.00 55.97 53.40 1a90 s LYS 109 Cb -0.12 0.25 0.01 0.00 -1.05 0.00 0.00 37.83 36.92 1a90 s LYS 109 CO 0.03 -0.14 1.07 -1.17 1.55 0.00 0.00 175.35 176.69 1a90 s LEU 110 N -0.93 2.97 0.00 5.43 2.96 -1.26 -1.34 118.68 126.50 1a90 s LEU 110 Ca -0.10 1.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.95 1a90 s LEU 110 Cb -0.05 -3.97 0.00 0.00 0.50 0.00 0.00 46.19 42.67 1a90 s LEU 110 CO 0.03 -1.26 0.00 0.18 -1.32 0.00 0.00 176.35 173.98 1a90 n LEU 111 N -2.94 0.00 -4.08 -0.68 4.32 -0.04 -4.78 117.00 108.80 1a90 n LEU 111 Ca 0.07 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.62 1a90 n LEU 111 Cb 0.57 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.37 1a90 n LEU 111 CO 0.57 0.00 1.21 -0.62 -1.22 0.00 0.00 177.39 177.34 1a90 n GLU 112 N -0.36 4.09 -3.63 3.23 1.02 -1.12 -4.87 120.64 119.00 1a90 n GLU 112 Ca 0.00 -4.33 -0.39 0.00 -0.02 0.00 0.00 57.16 52.42 1a90 n GLU 112 Cb 0.00 -2.62 -0.09 0.00 -0.02 0.00 0.00 31.44 28.72 1a90 n GLU 112 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1a90 s SER 113 N -0.46 5.57 -0.02 1.62 1.04 -1.25 -1.52 113.70 118.68 1a90 s SER 113 Ca 0.33 -2.38 0.03 0.00 0.48 0.00 0.00 55.95 54.42 1a90 s SER 113 Cb 0.02 -1.94 -0.01 0.00 0.10 0.00 0.00 66.02 64.19 1a90 s SER 113 CO 0.05 -0.53 -0.12 -0.75 0.98 0.00 0.00 173.24 172.87 1a90 s LYS 114 N 0.65 1.03 -0.01 4.02 2.20 -0.61 -4.97 119.74 122.05 1a90 s LYS 114 Ca 0.12 -0.41 0.08 0.00 -0.36 0.00 0.00 55.97 55.40 1a90 s LYS 114 Cb -0.21 -0.98 -0.02 0.00 -1.51 0.00 0.00 37.83 35.11 1a90 s LYS 114 CO -0.03 0.22 -0.26 0.00 -0.36 0.00 0.00 175.35 174.92