#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 -3.81 -2.47 4.61 0.00 -1.26 -4.75 120.51 112.83 1a90 n ALA 10 Ca 0.00 0.65 -0.41 0.00 0.00 0.00 0.00 53.44 53.68 1a90 n ALA 10 Cb 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 17.98 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 -3.03 4.58 0.06 0.00 0.04 -1.26 -3.80 135.00 131.58 1a90 s PRO 11 Ca 0.00 1.27 0.09 0.00 0.04 0.00 0.00 61.00 62.41 1a90 s PRO 11 Cb 0.00 -3.40 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 1a90 s PRO 11 CO 0.00 0.15 -0.26 0.08 0.04 0.00 0.00 177.00 177.01 1a90 s VAL 12 N 0.33 2.13 0.44 -0.36 1.01 -1.26 -4.98 120.40 117.71 1a90 s VAL 12 Ca 0.45 -1.43 -0.09 0.00 0.00 0.00 0.00 61.98 60.92 1a90 s VAL 12 Cb -0.21 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 1a90 s VAL 12 CO 0.26 0.33 0.78 -2.16 0.00 0.00 0.00 175.10 174.31 1a90 s PRO 13 N -1.33 3.69 0.42 2.72 0.04 -1.26 -1.14 135.00 138.14 1a90 s PRO 13 Ca 0.12 0.38 0.03 0.00 0.04 0.00 0.00 61.00 61.57 1a90 s PRO 13 Cb -0.10 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1a90 s PRO 13 CO 0.02 -0.11 0.61 0.08 0.04 0.00 0.00 177.00 177.64 1a90 s VAL 14 N -2.53 3.78 0.82 -0.36 1.01 -1.20 -4.80 120.40 117.12 1a90 s VAL 14 Ca 0.50 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 1a90 s VAL 14 Cb -0.10 -3.36 0.18 0.00 0.00 0.00 0.00 36.38 33.10 1a90 s VAL 14 CO 0.37 -0.21 1.12 0.47 0.00 0.00 0.00 175.10 176.85 1a90 n ASP 15 N -1.95 0.39 0.00 3.32 8.00 -1.26 -4.91 116.55 120.14 1a90 n ASP 15 Ca 0.02 -1.59 0.03 0.00 0.71 0.00 0.00 54.79 53.96 1a90 n ASP 15 Cb 0.58 -0.83 0.17 0.00 -0.02 0.00 0.00 41.12 41.02 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 -3.30 0.56 0.00 -1.24 1.02 -1.26 -4.43 120.64 111.99 1a90 n GLU 16 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1a90 n GLU 16 Cb 0.52 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 1a90 n GLU 16 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1a90 n ASN 17 N -0.66 0.00 -3.30 1.62 0.23 -1.26 -5.07 115.26 106.82 1a90 n ASN 17 Ca 0.04 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.80 1a90 n ASN 17 Cb 0.02 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 37.75 1a90 n ASN 17 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1a90 n ASP 18 N -0.29 -6.26 -0.10 0.53 9.92 -1.26 -4.15 116.55 114.94 1a90 n ASP 18 Ca 0.00 0.08 0.26 0.00 -0.53 0.00 0.00 54.79 54.60 1a90 n ASP 18 Cb 0.00 -2.76 0.58 0.00 -0.64 0.00 0.00 41.12 38.31 1a90 n ASP 18 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1a90 h GLU 19 N 2.13 0.00 0.12 -1.24 4.11 -1.97 0.40 114.58 118.13 1a90 h GLU 19 Ca -0.38 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.04 1a90 h GLU 19 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1a90 h GLU 19 CO 0.21 0.00 -0.06 0.78 0.07 0.00 0.00 179.01 180.01 1a90 h GLY 20 N 0.00 -0.17 1.29 1.06 0.00 -1.99 -1.41 103.07 101.85 1a90 h GLY 20 Ca 0.38 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1a90 h GLY 20 CO -0.00 -0.06 0.45 -2.00 0.00 0.00 0.00 176.54 174.93 1a90 h LEU 21 N -0.58 0.84 -0.63 3.11 5.85 -0.48 -1.03 115.31 122.38 1a90 h LEU 21 Ca -0.02 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1a90 h LEU 21 Cb 0.46 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1a90 h LEU 21 CO 0.03 0.62 0.23 1.56 -0.34 0.00 0.00 178.44 180.55 1a90 h GLN 22 N 0.98 0.95 0.00 1.25 4.20 -1.24 0.81 115.11 122.06 1a90 h GLN 22 Ca 0.26 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1a90 h GLN 22 Cb -0.08 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.55 1a90 h GLN 22 CO -0.05 0.82 0.00 -2.13 -0.67 0.00 0.00 178.83 176.80 1a90 n ARG 23 N -4.41 0.20 -0.02 1.46 0.63 -0.54 -1.49 116.66 112.49 1a90 n ARG 23 Ca 0.04 0.45 -0.08 0.00 -0.92 0.00 0.00 57.85 57.35 1a90 n ARG 23 Cb 0.18 -1.90 -0.06 0.00 0.45 0.00 0.00 32.46 31.13 1a90 n ARG 23 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1a90 h ALA 24 N 2.23 -0.08 -0.54 5.13 0.00 0.38 -2.02 119.26 124.35 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 0.33 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1a90 h ALA 24 CO 0.00 -0.10 0.11 1.25 0.00 0.00 0.00 179.25 180.51 1a90 h LEU 25 N -0.97 0.79 -1.23 0.00 5.85 -1.18 -1.63 115.31 116.94 1a90 h LEU 25 Ca -0.01 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1a90 h LEU 25 Cb 0.47 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1a90 h LEU 25 CO 0.01 0.79 -0.11 -0.61 -0.34 0.00 0.00 178.44 178.18 1a90 h GLN 26 N 0.81 0.00 0.15 1.25 4.15 -1.36 -0.54 115.11 119.57 1a90 h GLN 26 Ca 0.17 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 1a90 h GLN 26 Cb 0.32 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1a90 h GLN 26 CO 0.00 0.11 -0.07 0.35 -1.93 0.00 0.00 178.83 177.29 1a90 h PHE 27 N 0.00 -0.18 -0.05 3.99 3.57 -0.53 -1.64 116.94 122.10 1a90 h PHE 27 Ca -0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1a90 h PHE 27 Cb 0.65 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 1a90 h PHE 27 CO 0.00 0.19 -0.05 0.00 -2.23 0.00 0.00 178.31 176.22 1a90 h ALA 28 N -0.56 0.07 -0.86 2.41 0.00 -1.49 -2.42 119.26 116.41 1a90 h ALA 28 Ca -0.02 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.64 1a90 h ALA 28 Cb 0.45 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1a90 h ALA 28 CO 0.03 -0.14 0.57 0.97 0.00 0.00 0.00 179.25 180.68 1a90 h ILE 29 N -0.33 1.18 -0.50 0.00 6.09 -0.28 0.33 117.51 124.00 1a90 h ILE 29 Ca 0.01 -0.39 0.11 0.00 -1.37 0.00 0.00 64.86 63.22 1a90 h ILE 29 Cb 0.55 -0.05 -0.03 0.00 0.47 0.00 0.00 36.82 37.77 1a90 h ILE 29 CO 0.01 0.21 0.35 0.00 -3.07 0.00 0.00 178.15 175.65 1a90 h ALA 30 N 1.34 2.23 0.00 0.18 0.00 -1.21 0.34 119.26 122.13 1a90 h ALA 30 Ca 0.33 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.08 1a90 h ALA 30 Cb -0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1a90 h ALA 30 CO -0.09 -0.36 -0.70 1.05 0.00 0.00 0.00 179.25 179.15 1a90 h GLU 31 N 0.18 0.00 -0.14 0.00 -0.00 0.10 -2.26 114.58 112.46 1a90 h GLU 31 Ca 0.24 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.57 1a90 h GLU 31 Cb 0.70 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.45 1a90 h GLU 31 CO -0.04 0.70 -0.03 -0.92 -0.00 0.00 0.00 179.01 178.72 1a90 h TYR 32 N 0.00 0.31 0.20 2.06 3.20 0.11 0.42 116.97 123.27 1a90 h TYR 32 Ca -0.01 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 1a90 h TYR 32 Cb 1.41 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.61 1a90 h TYR 32 CO 0.00 0.55 -0.10 -0.97 -1.64 0.00 0.00 178.16 176.00 1a90 h ASN 33 N -0.02 -0.23 0.46 -2.11 -0.00 -1.40 -1.35 115.58 110.92 1a90 h ASN 33 Ca 0.04 -0.08 0.00 0.00 -0.00 0.00 0.00 56.30 56.26 1a90 h ASN 33 Cb 0.44 0.06 0.00 0.00 -0.00 0.00 0.00 38.32 38.82 1a90 h ASN 33 CO 0.01 -0.07 0.00 0.08 -0.00 0.00 0.00 177.43 177.45 1a90 h ARG 34 N -0.38 0.00 -0.13 6.67 -0.00 -1.38 -0.36 114.38 118.80 1a90 h ARG 34 Ca -0.03 0.00 -0.17 0.00 -0.00 0.00 0.00 59.98 59.79 1a90 h ARG 34 Cb 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.26 1a90 h ARG 34 CO 0.05 0.00 -0.62 0.00 -0.00 0.00 0.00 179.97 179.39 1a90 h ALA 35 N 2.07 0.69 0.00 0.08 0.00 0.98 -3.01 119.26 120.07 1a90 h ALA 35 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1a90 h ALA 35 Cb 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1a90 h ALA 35 CO 0.00 0.72 -0.97 0.45 0.00 0.00 0.00 179.25 179.45 1a90 n SER 36 N -3.90 0.77 -0.19 0.00 2.88 -0.61 -5.04 113.62 107.52 1a90 n SER 36 Ca -0.03 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1a90 n SER 36 Cb 0.64 0.48 0.00 0.00 -0.75 0.00 0.00 64.21 64.58 1a90 n SER 36 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1a90 n ASN 37 N -2.48 -1.97 0.03 -3.46 4.13 -0.24 -2.07 115.26 109.20 1a90 n ASN 37 Ca 0.01 0.00 0.07 0.00 1.68 0.00 0.00 54.58 56.34 1a90 n ASN 37 Cb 0.52 0.00 0.31 0.00 -1.54 0.00 0.00 39.78 39.06 1a90 n ASN 37 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1a90 n ASP 38 N -3.54 0.13 0.15 6.41 2.03 -1.26 -2.23 116.55 118.25 1a90 n ASP 38 Ca 0.00 0.54 0.11 0.00 0.52 0.00 0.00 54.79 55.96 1a90 n ASP 38 Cb 0.00 -0.56 0.54 0.00 -0.72 0.00 0.00 41.12 40.38 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 -1.65 0.16 -3.91 -0.67 5.02 -0.88 -4.65 118.16 111.59 1a90 n LYS 39 Ca 0.03 0.54 -0.02 0.00 -2.02 0.00 0.00 58.31 56.84 1a90 n LYS 39 Cb 0.15 -1.92 0.02 0.00 -0.02 0.00 0.00 35.03 33.26 1a90 n LYS 39 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1a90 s TYR 40 N -3.44 0.08 -0.03 2.13 2.02 -0.95 -4.37 117.35 112.78 1a90 s TYR 40 Ca 0.00 -0.45 0.03 0.00 -0.37 0.00 0.00 57.07 56.28 1a90 s TYR 40 Cb 0.07 0.69 -0.03 0.00 -0.40 0.00 0.00 41.96 42.29 1a90 s TYR 40 CO 0.28 -0.86 -0.09 0.45 -1.57 0.00 0.00 175.55 173.76 1a90 s SER 41 N -3.48 4.46 -0.12 2.29 0.15 -1.01 -4.54 113.70 111.45 1a90 s SER 41 Ca 0.23 -0.12 -0.05 0.00 0.70 0.00 0.00 55.95 56.71 1a90 s SER 41 Cb -0.03 -1.04 0.06 0.00 -1.71 0.00 0.00 66.02 63.30 1a90 s SER 41 CO 0.05 0.33 0.25 -0.94 1.20 0.00 0.00 173.24 174.13 1a90 s SER 42 N -1.04 0.13 0.00 5.45 1.04 -1.26 -1.40 113.70 116.62 1a90 s SER 42 Ca 0.14 0.56 0.00 0.00 0.48 0.00 0.00 55.95 57.13 1a90 s SER 42 Cb -0.11 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1a90 s SER 42 CO 0.04 -0.21 0.00 -1.14 0.98 0.00 0.00 173.24 172.90 1a90 n ARG 43 N 4.93 0.00 -3.69 4.02 0.63 -0.91 -4.45 116.66 117.19 1a90 n ARG 43 Ca -0.13 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.59 1a90 n ARG 43 Cb 0.51 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.39 1a90 n ARG 43 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1a90 s VAL 44 N 1.03 3.65 0.00 5.15 1.01 -1.26 -0.36 120.40 129.63 1a90 s VAL 44 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.73 1a90 s VAL 44 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1a90 s VAL 44 CO 0.00 -0.16 0.00 0.52 0.00 0.00 0.00 175.10 175.46 1a90 n VAL 45 N -1.47 0.00 -3.50 2.92 0.31 -0.79 -3.31 118.33 112.49 1a90 n VAL 45 Ca -0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.03 1a90 n VAL 45 Cb 0.59 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.39 1a90 n VAL 45 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a90 s ARG 46 N 0.00 0.34 1.00 5.55 3.03 -1.26 -4.99 118.95 122.62 1a90 s ARG 46 Ca 0.00 -0.84 -0.13 0.00 2.03 0.00 0.00 55.73 56.79 1a90 s ARG 46 Cb 0.00 -1.20 0.13 0.00 -1.03 0.00 0.00 34.95 32.85 1a90 s ARG 46 CO 0.00 -1.10 0.70 0.28 -1.13 0.00 0.00 175.30 174.05 1a90 n VAL 47 N 4.76 0.00 0.00 4.99 0.31 -1.26 -4.26 118.33 122.87 1a90 n VAL 47 Ca 0.01 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1a90 n VAL 47 Cb 0.40 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 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 -4.19 0.00 -3.61 2.52 5.41 -1.26 -4.92 119.36 113.32 1a90 n ILE 48 Ca 0.07 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.83 1a90 n ILE 48 Cb 0.54 0.09 -0.01 0.00 -0.71 0.00 0.00 39.64 39.56 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 -1.18 -0.06 -0.29 4.38 0.01 -1.26 -4.87 113.70 110.43 1a90 s SER 49 Ca 0.00 -0.09 -0.03 0.00 1.31 0.00 0.00 55.95 57.14 1a90 s SER 49 Cb 0.00 0.13 0.17 0.00 0.21 0.00 0.00 66.02 66.53 1a90 s SER 49 CO 0.00 -0.24 0.59 0.00 0.41 0.00 0.00 173.24 174.00 1a90 s ALA 50 N -2.35 -2.11 0.08 1.44 0.00 -1.26 -1.80 121.76 115.76 1a90 s ALA 50 Ca 0.14 1.86 -0.00 0.00 0.00 0.00 0.00 51.96 53.96 1a90 s ALA 50 Cb 0.04 -2.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 1a90 s ALA 50 CO -0.04 -1.24 -0.03 0.15 0.00 0.00 0.00 175.76 174.59 1a90 s LYS 51 N 2.84 0.73 -0.55 0.00 1.02 -0.39 -3.23 119.74 120.16 1a90 s LYS 51 Ca 0.15 -1.29 0.04 0.00 0.02 0.00 0.00 55.97 54.89 1a90 s LYS 51 Cb -0.14 0.08 0.15 0.00 -0.52 0.00 0.00 37.83 37.40 1a90 s LYS 51 CO -0.20 -0.10 0.36 -0.98 -0.92 0.00 0.00 175.35 173.50 1a90 s ARG 52 N -3.91 1.80 0.73 1.68 1.70 -0.29 -1.37 118.95 119.28 1a90 s ARG 52 Ca 0.11 -2.65 -0.16 0.00 -0.47 0.00 0.00 55.73 52.56 1a90 s ARG 52 Cb 0.07 -2.76 -0.07 0.00 -0.57 0.00 0.00 34.95 31.62 1a90 s ARG 52 CO -0.06 -1.24 0.22 1.04 -1.08 0.00 0.00 175.30 174.17 1a90 n GLN 53 N 2.73 0.17 -3.88 3.89 6.02 0.84 -4.16 117.38 123.00 1a90 n GLN 53 Ca 0.16 0.09 -0.32 0.00 -0.01 0.00 0.00 57.00 56.92 1a90 n GLN 53 Cb 0.37 -1.56 -0.13 0.00 1.02 0.00 0.00 30.24 29.94 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 1.87 4.60 0.00 1.08 2.96 -1.25 -1.46 118.68 126.48 1a90 s LEU 54 Ca 0.60 -3.01 0.00 0.00 -0.22 0.00 0.00 54.13 51.50 1a90 s LEU 54 Cb -0.35 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 44.64 1a90 s LEU 54 CO 0.63 -0.26 0.00 0.52 -1.32 0.00 0.00 176.35 175.92 1a90 n VAL 55 N 3.16 0.00 -0.59 1.68 0.31 -1.26 -4.80 118.33 116.84 1a90 n VAL 55 Ca 0.06 0.00 0.48 0.00 -0.01 0.00 0.00 64.34 64.87 1a90 n VAL 55 Cb 0.34 0.00 0.78 0.00 -0.91 0.00 0.00 33.84 34.05 1a90 n VAL 55 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1a90 h SER 56 N 0.00 0.00 0.00 4.52 4.64 -2.01 -3.41 113.55 117.29 1a90 h SER 56 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a90 h SER 56 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1a90 h SER 56 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1a90 n GLY 57 N -1.88 3.44 3.45 -0.77 0.00 -1.26 -4.98 105.19 103.20 1a90 n GLY 57 Ca 0.39 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 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 2.01 2.49 -0.12 -0.61 1.09 -0.60 -4.27 121.20 121.18 1a90 s ILE 58 Ca 0.00 -2.09 0.02 0.00 -1.10 0.00 0.00 60.65 57.48 1a90 s ILE 58 Cb 0.00 -2.23 0.01 0.00 -1.06 0.00 0.00 42.46 39.18 1a90 s ILE 58 CO 0.00 -0.19 -0.18 -0.54 -0.10 0.00 0.00 174.94 173.93 1a90 s LYS 59 N -2.92 2.54 -0.69 2.79 1.02 -0.54 -1.06 119.74 120.88 1a90 s LYS 59 Ca 0.24 -0.68 -0.18 0.00 0.02 0.00 0.00 55.97 55.37 1a90 s LYS 59 Cb -0.07 -2.10 0.13 0.00 -0.52 0.00 0.00 37.83 35.27 1a90 s LYS 59 CO 0.12 -0.04 0.77 0.71 -0.92 0.00 0.00 175.35 175.99 1a90 s TYR 60 N 0.91 3.20 -0.37 3.18 2.02 0.22 -0.11 117.35 126.40 1a90 s TYR 60 Ca -0.07 -1.28 -0.15 0.00 -0.37 0.00 0.00 57.07 55.20 1a90 s TYR 60 Cb -0.15 -4.00 0.00 0.00 -0.40 0.00 0.00 41.96 37.41 1a90 s TYR 60 CO -0.02 -1.24 0.34 0.42 -1.57 0.00 0.00 175.55 173.48 1a90 s ILE 61 N 2.06 5.19 0.02 2.71 -1.09 -0.47 -1.48 121.20 128.14 1a90 s ILE 61 Ca 0.16 -0.24 0.08 0.00 -2.23 0.00 0.00 60.65 58.42 1a90 s ILE 61 Cb -0.19 -3.87 -0.02 0.00 -1.58 0.00 0.00 42.46 36.80 1a90 s ILE 61 CO 0.00 -0.19 -0.24 -0.22 -1.23 0.00 0.00 174.94 173.06 1a90 s LEU 62 N 1.91 2.12 0.27 2.97 0.20 -0.36 -1.26 118.68 124.54 1a90 s LEU 62 Ca 0.09 -0.52 0.02 0.00 0.69 0.00 0.00 54.13 54.42 1a90 s LEU 62 Cb -0.17 -1.20 -0.03 0.00 -0.43 0.00 0.00 46.19 44.35 1a90 s LEU 62 CO 0.11 0.25 0.44 -1.10 -0.29 0.00 0.00 176.35 175.76 1a90 s GLN 63 N -0.97 3.47 0.20 1.98 -1.52 -0.74 -0.84 119.66 121.24 1a90 s GLN 63 Ca 0.10 -0.53 -0.10 0.00 -1.95 0.00 0.00 55.36 52.88 1a90 s GLN 63 Cb -0.09 -2.80 -0.01 0.00 -0.22 0.00 0.00 33.01 29.89 1a90 s GLN 63 CO 0.01 0.32 0.35 0.14 -0.25 0.00 0.00 175.29 175.86 1a90 s VAL 64 N -2.09 0.03 -0.19 1.09 -7.23 0.59 -4.11 120.40 108.50 1a90 s VAL 64 Ca 0.37 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 1a90 s VAL 64 Cb -0.10 -2.02 0.04 0.00 0.56 0.00 0.00 36.38 34.87 1a90 s VAL 64 CO 0.32 -0.15 -0.08 -1.83 -0.31 0.00 0.00 175.10 173.05 1a90 s GLU 65 N -4.00 1.79 -0.20 4.82 -1.05 -1.26 -1.47 118.70 117.33 1a90 s GLU 65 Ca 0.21 -0.75 0.01 0.00 -0.15 0.00 0.00 54.97 54.29 1a90 s GLU 65 Cb 0.02 -2.30 0.04 0.00 -0.44 0.00 0.00 34.13 31.45 1a90 s GLU 65 CO 0.04 -0.45 -0.11 0.42 0.95 0.00 0.00 175.26 176.12 1a90 s ILE 66 N 1.48 1.64 0.55 1.83 1.01 -0.36 -1.89 121.20 125.46 1a90 s ILE 66 Ca -0.01 -0.99 -0.09 0.00 0.00 0.00 0.00 60.65 59.56 1a90 s ILE 66 Cb -0.16 -1.71 0.13 0.00 0.01 0.00 0.00 42.46 40.73 1a90 s ILE 66 CO -0.08 0.19 0.74 0.61 0.00 0.00 0.00 174.94 176.40 1a90 n GLY 67 N 4.69 -1.35 3.53 6.18 0.00 0.51 -1.47 105.19 117.27 1a90 n GLY 67 Ca -0.15 -1.69 -0.08 0.00 0.00 0.00 0.00 46.02 44.10 1a90 n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a90 s ARG 68 N -4.61 0.71 -0.35 1.61 0.52 -1.26 -2.14 118.95 113.42 1a90 s ARG 68 Ca 0.42 -0.23 0.06 0.00 -0.52 0.00 0.00 55.73 55.45 1a90 s ARG 68 Cb -0.01 0.33 0.18 0.00 0.52 0.00 0.00 34.95 35.96 1a90 s ARG 68 CO 0.29 -0.30 0.54 0.95 0.02 0.00 0.00 175.30 176.80 1a90 s THR 69 N -2.84 -0.83 0.00 0.02 -4.23 -0.50 0.11 115.64 107.37 1a90 s THR 69 Ca 0.05 -0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 1a90 s THR 69 Cb -0.01 -0.57 0.00 0.00 1.34 0.00 0.00 72.50 73.26 1a90 s THR 69 CO -0.07 -0.14 0.00 1.07 -0.54 0.00 0.00 174.62 174.93 1a90 n THR 70 N 4.85 0.00 -3.87 3.99 5.66 -0.48 -2.41 114.28 122.03 1a90 n THR 70 Ca 0.07 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.76 1a90 n THR 70 Cb 0.53 -0.06 0.01 0.00 -1.55 0.00 0.00 70.33 69.26 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 -3.57 0.00 0.07 0.00 -0.04 -1.26 -4.61 135.00 125.59 1a90 n PRO 72 Ca -0.13 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1a90 n PRO 72 Cb 0.46 -0.74 0.00 0.00 -0.04 0.00 0.00 33.50 33.18 1a90 n PRO 72 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1a90 n LYS 73 N -1.13 0.00 -0.13 0.54 2.85 -1.26 -4.70 118.16 114.32 1a90 n LYS 73 Ca 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 1a90 n LYS 73 Cb 0.00 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.30 1a90 n LYS 73 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1a90 h SER 74 N 0.00 -1.56 0.00 -5.58 0.02 -1.99 -3.35 113.55 101.09 1a90 h SER 74 Ca 0.00 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1a90 h SER 74 Cb 0.00 0.64 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1a90 h SER 74 CO 0.00 -0.33 0.00 -1.20 -1.14 0.00 0.00 176.83 174.16 1a90 n SER 75 N -4.90 0.00 -1.15 3.07 7.64 -1.26 -5.04 113.62 111.97 1a90 n SER 75 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1a90 n SER 75 Cb 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 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 2.37 -0.73 0.00 0.23 0.00 -1.26 -4.93 105.19 100.87 1a90 n GLY 76 Ca 0.00 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.31 0.00 0.00 1.61 9.92 -1.26 -4.89 116.55 121.63 1a90 n ASP 77 Ca 0.00 0.44 0.00 0.00 -0.53 0.00 0.00 54.79 54.70 1a90 n ASP 77 Cb 0.00 -0.48 0.00 0.00 -0.64 0.00 0.00 41.12 40.00 1a90 n ASP 77 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1a90 n LEU 78 N -1.48 0.00 -4.70 0.64 7.99 -1.26 -4.61 117.00 113.58 1a90 n LEU 78 Ca 0.07 0.00 -0.31 0.00 -0.01 0.00 0.00 56.01 55.75 1a90 n LEU 78 Cb 0.29 0.00 0.14 0.00 -0.11 0.00 0.00 43.42 43.74 1a90 n LEU 78 CO 0.23 0.00 0.70 -1.10 -1.51 0.00 0.00 177.39 175.71 1a90 s GLN 79 N 0.00 1.40 -0.98 3.23 -0.21 -1.26 -2.46 119.66 119.37 1a90 s GLN 79 Ca 0.00 1.51 -0.05 0.00 0.02 0.00 0.00 55.36 56.84 1a90 s GLN 79 Cb 0.00 -1.77 0.04 0.00 1.00 0.00 0.00 33.01 32.27 1a90 s GLN 79 CO 0.00 -2.34 0.21 0.43 -2.12 0.00 0.00 175.29 171.47 1a90 n SER 80 N -3.90 -3.23 -4.63 5.90 7.64 -1.26 -4.82 113.62 109.32 1a90 n SER 80 Ca 0.12 -0.03 -0.43 0.00 1.01 0.00 0.00 58.87 59.54 1a90 n SER 80 Cb 0.52 -2.74 -0.03 0.00 -1.01 0.00 0.00 64.21 60.95 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 4.77 1.71 0.27 0.00 2.02 -1.26 -4.84 118.70 121.38 1a90 s GLU 82 Ca 0.75 -1.52 0.12 0.00 0.02 0.00 0.00 54.97 54.33 1a90 s GLU 82 Cb -0.27 0.45 0.90 0.00 0.10 0.00 0.00 34.13 35.31 1a90 s GLU 82 CO 0.30 -0.71 1.20 1.19 0.02 0.00 0.00 175.26 177.26 1a90 n PHE 83 N -0.46 0.77 -2.69 1.61 3.01 0.31 -1.38 117.46 118.63 1a90 n PHE 83 Ca -0.00 0.90 -0.06 0.00 1.01 0.00 0.00 57.45 59.29 1a90 n PHE 83 Cb 0.62 -1.25 0.09 0.00 -0.01 0.00 0.00 39.48 38.93 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 -4.81 -1.11 -2.51 1.38 8.25 -1.26 -3.53 115.22 111.63 1a90 n HIS 84 Ca 0.26 -2.16 -0.11 0.00 -0.26 0.00 0.00 57.72 55.44 1a90 n HIS 84 Cb 0.86 0.89 -0.00 0.00 1.12 0.00 0.00 29.99 32.86 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 -0.57 -3.48 0.00 0.41 -0.08 -0.95 -4.66 116.55 107.22 1a90 n ASP 85 Ca -0.01 0.20 0.00 0.00 -1.51 0.00 0.00 54.79 53.47 1a90 n ASP 85 Cb 0.84 -2.98 0.00 0.00 2.34 0.00 0.00 41.12 41.32 1a90 n ASP 85 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1a90 n GLU 86 N -2.82 0.00 0.00 -0.67 1.02 -1.26 -4.90 120.64 112.00 1a90 n GLU 86 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1a90 n GLU 86 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.01 1a90 n GLU 86 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1a90 n PRO 87 N -1.01 2.20 -2.47 3.49 -0.04 -1.26 0.26 135.00 136.18 1a90 n PRO 87 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1a90 n PRO 87 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 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 -1.58 0.00 0.54 -0.58 -1.26 -2.04 120.64 115.72 1a90 n GLU 88 Ca 0.00 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1a90 n GLU 88 Cb 0.00 -2.80 0.00 0.00 -0.57 0.00 0.00 31.44 28.07 1a90 n GLU 88 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1a90 n LEU 89 N -2.05 0.00 -2.20 -4.62 -0.00 -1.26 -4.96 117.00 101.91 1a90 n LEU 89 Ca 0.03 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.84 1a90 n LEU 89 Cb 0.29 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.65 1a90 n LEU 89 CO 0.27 0.00 1.48 0.00 -0.00 0.00 0.00 177.39 179.14 1a90 n ALA 90 N 0.00 6.02 -1.00 1.47 0.00 0.14 -4.46 120.51 122.68 1a90 n ALA 90 Ca 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 53.44 51.12 1a90 n ALA 90 Cb 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.49 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 1.15 1.54 -4.14 0.00 5.02 -1.26 -4.58 118.16 115.89 1a90 n LYS 91 Ca 0.41 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.55 1a90 n LYS 91 Cb 0.63 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.59 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 0.00 1.19 0.27 2.13 2.02 -1.26 -4.74 117.35 116.97 1a90 s TYR 92 Ca 0.00 -1.35 0.03 0.00 -0.37 0.00 0.00 57.07 55.38 1a90 s TYR 92 Cb 0.00 -0.26 -0.06 0.00 -0.40 0.00 0.00 41.96 41.24 1a90 s TYR 92 CO 0.00 -1.02 0.03 -0.08 -1.57 0.00 0.00 175.55 172.91 1a90 s THR 93 N -3.31 1.05 -0.07 -0.71 -1.32 -0.54 -5.00 115.64 105.73 1a90 s THR 93 Ca 0.33 -2.02 -0.00 0.00 -1.21 0.00 0.00 61.69 58.79 1a90 s THR 93 Cb 0.01 -2.56 0.03 0.00 -1.51 0.00 0.00 72.50 68.46 1a90 s THR 93 CO 0.21 -0.15 -0.03 -0.89 -2.21 0.00 0.00 174.62 171.54 1a90 s THR 94 N -3.40 0.57 0.20 5.08 2.01 -1.26 -1.22 115.64 117.62 1a90 s THR 94 Ca 0.33 -0.04 0.07 0.00 0.31 0.00 0.00 61.69 62.35 1a90 s THR 94 Cb 0.07 -0.66 -0.05 0.00 0.01 0.00 0.00 72.50 71.87 1a90 s THR 94 CO 0.12 0.28 -0.12 0.00 -0.69 0.00 0.00 174.62 174.21 1a90 s THR 96 N -3.09 3.91 -0.07 0.00 2.01 -0.45 0.22 115.64 118.18 1a90 s THR 96 Ca 0.22 -0.83 0.04 0.00 0.31 0.00 0.00 61.69 61.43 1a90 s THR 96 Cb 0.01 -2.78 0.00 0.00 0.01 0.00 0.00 72.50 69.74 1a90 s THR 96 CO 0.06 0.27 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.71 1a90 s PHE 97 N -1.15 1.97 -0.25 4.92 0.08 -0.02 0.20 117.98 123.74 1a90 s PHE 97 Ca 0.21 -0.68 0.02 0.00 0.12 0.00 0.00 56.93 56.60 1a90 s PHE 97 Cb -0.11 -1.34 0.06 0.00 -0.57 0.00 0.00 43.02 41.06 1a90 s PHE 97 CO 0.13 -0.27 -0.08 0.08 -0.10 0.00 0.00 175.22 174.98 1a90 s VAL 98 N 0.24 1.84 -0.09 -0.44 1.01 -1.20 -1.22 120.40 120.53 1a90 s VAL 98 Ca -0.10 -1.45 0.01 0.00 0.00 0.00 0.00 61.98 60.44 1a90 s VAL 98 Cb -0.15 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.21 1a90 s VAL 98 CO 0.05 -0.09 -0.10 -0.69 0.00 0.00 0.00 175.10 174.27 1a90 s VAL 99 N 1.25 1.07 0.02 2.92 1.01 -0.55 -0.30 120.40 125.82 1a90 s VAL 99 Ca -0.07 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 1a90 s VAL 99 Cb -0.19 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1a90 s VAL 99 CO -0.06 0.36 0.98 -0.47 0.00 0.00 0.00 175.10 175.92 1a90 s TYR 100 N 1.26 3.67 -0.28 5.22 5.04 -0.49 0.73 117.35 132.50 1a90 s TYR 100 Ca -0.03 1.70 0.02 0.00 -2.44 0.00 0.00 57.07 56.32 1a90 s TYR 100 Cb -0.14 -3.12 0.08 0.00 0.35 0.00 0.00 41.96 39.13 1a90 s TYR 100 CO -0.03 -0.02 -0.02 -1.54 -1.34 0.00 0.00 175.55 172.60 1a90 s SER 101 N 0.86 4.33 -0.40 4.32 1.04 -0.22 -1.01 113.70 122.63 1a90 s SER 101 Ca 0.51 -1.61 -0.23 0.00 0.48 0.00 0.00 55.95 55.11 1a90 s SER 101 Cb -0.22 -1.39 0.02 0.00 0.10 0.00 0.00 66.02 64.53 1a90 s SER 101 CO 0.28 -0.29 0.78 -0.63 0.98 0.00 0.00 173.24 174.36 1a90 s ILE 102 N 1.18 4.70 0.01 -1.02 1.01 -0.80 -1.56 121.20 124.73 1a90 s ILE 102 Ca 0.01 0.71 -0.25 0.00 0.00 0.00 0.00 60.65 61.11 1a90 s ILE 102 Cb -0.19 -4.25 -0.15 0.00 0.01 0.00 0.00 42.46 37.88 1a90 s ILE 102 CO -0.09 -0.54 1.14 1.55 0.00 0.00 0.00 174.94 177.01 1a90 h PRO 103 N 8.67 -0.68 0.00 2.79 0.13 -1.93 1.42 132.00 142.40 1a90 h PRO 103 Ca -0.25 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1a90 h PRO 103 Cb 1.09 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1a90 h PRO 103 CO 0.93 -0.38 0.16 -2.67 -0.23 0.00 0.00 178.00 175.80 1a90 n TRP 104 N -5.28 0.39 -0.58 1.56 2.14 -1.26 -1.35 117.44 113.06 1a90 n TRP 104 Ca -0.11 0.20 0.00 0.00 2.07 0.00 0.00 57.50 59.67 1a90 n TRP 104 Cb 0.32 -0.71 0.00 0.00 -0.81 0.00 0.00 31.31 30.11 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 -1.90 0.70 -3.92 5.67 -0.00 -1.15 -5.02 117.00 111.38 1a90 n LEU 105 Ca -0.01 -0.70 -0.29 0.00 -0.00 0.00 0.00 56.01 55.01 1a90 n LEU 105 Cb 0.17 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.56 1a90 n LEU 105 CO 0.05 0.18 -0.24 -3.20 -0.00 0.00 0.00 177.39 174.17 1a90 n ASN 106 N -0.14 -1.10 -4.09 1.96 2.85 0.48 -4.87 115.26 110.35 1a90 n ASN 106 Ca 0.00 -0.96 -0.33 0.00 -0.11 0.00 0.00 54.58 53.17 1a90 n ASN 106 Cb 0.32 -1.17 -0.14 0.00 1.24 0.00 0.00 39.78 40.03 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 -6.55 1.93 0.14 1.20 0.74 -0.47 -4.92 119.66 111.73 1a90 s GLN 107 Ca 0.18 -1.66 -0.09 0.00 0.05 0.00 0.00 55.36 53.84 1a90 s GLN 107 Cb -0.10 -3.26 -0.06 0.00 1.10 0.00 0.00 33.01 30.68 1a90 s GLN 107 CO 0.73 -0.86 0.44 0.42 -0.55 0.00 0.00 175.29 175.48 1a90 s ILE 108 N 1.07 5.05 -0.16 -2.34 1.01 -1.26 -1.90 121.20 122.66 1a90 s ILE 108 Ca 0.04 0.36 -0.10 0.00 0.00 0.00 0.00 60.65 60.96 1a90 s ILE 108 Cb -0.20 -3.64 0.06 0.00 0.01 0.00 0.00 42.46 38.68 1a90 s ILE 108 CO -0.05 0.12 0.40 -0.75 0.00 0.00 0.00 174.94 174.66 1a90 s LYS 109 N -2.36 0.39 0.94 2.79 2.20 -0.18 -4.97 119.74 118.55 1a90 s LYS 109 Ca 0.39 0.75 -0.11 0.00 -0.36 0.00 0.00 55.97 56.64 1a90 s LYS 109 Cb -0.13 -0.00 0.16 0.00 -1.51 0.00 0.00 37.83 36.35 1a90 s LYS 109 CO 0.21 -0.15 1.10 -1.17 -0.36 0.00 0.00 175.35 174.98 1a90 s LEU 110 N 1.26 2.32 0.00 5.43 2.96 -1.26 -1.40 118.68 127.99 1a90 s LEU 110 Ca -0.08 1.84 0.00 0.00 -0.22 0.00 0.00 54.13 55.66 1a90 s LEU 110 Cb -0.08 -4.18 0.00 0.00 0.50 0.00 0.00 46.19 42.44 1a90 s LEU 110 CO -0.11 -3.07 0.00 0.18 -1.32 0.00 0.00 176.35 172.03 1a90 n LEU 111 N -4.19 0.00 -3.83 -0.68 4.77 0.59 -4.75 117.00 108.92 1a90 n LEU 111 Ca 0.08 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.77 1a90 n LEU 111 Cb 0.53 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.49 1a90 n LEU 111 CO 0.53 0.00 -0.20 -1.61 -1.33 0.00 0.00 177.39 174.78 1a90 s GLU 112 N 0.00 1.68 -0.77 3.23 2.02 -1.20 -4.95 118.70 118.72 1a90 s GLU 112 Ca 0.00 -2.40 -0.26 0.00 0.02 0.00 0.00 54.97 52.34 1a90 s GLU 112 Cb 0.00 -2.85 0.04 0.00 0.10 0.00 0.00 34.13 31.43 1a90 s GLU 112 CO 0.00 -1.15 1.25 -1.54 0.02 0.00 0.00 175.26 173.84 1a90 s SER 113 N -0.09 6.21 -1.15 -0.19 1.04 -1.26 -3.27 113.70 115.00 1a90 s SER 113 Ca 0.18 -0.69 -0.17 0.00 0.48 0.00 0.00 55.95 55.75 1a90 s SER 113 Cb -0.23 -2.54 0.12 0.00 0.10 0.00 0.00 66.02 63.48 1a90 s SER 113 CO -0.02 -1.72 1.45 -0.54 0.98 0.00 0.00 173.24 173.39 1a90 s LYS 114 N 5.33 3.89 -0.28 4.02 1.02 0.13 -4.82 119.74 129.02 1a90 s LYS 114 Ca 0.34 -2.06 -0.09 0.00 0.02 0.00 0.00 55.97 54.18 1a90 s LYS 114 Cb -0.08 -5.19 -0.03 0.00 -0.52 0.00 0.00 37.83 32.01 1a90 s LYS 114 CO 0.11 -1.95 0.14 0.00 -0.92 0.00 0.00 175.35 172.72