#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 -1.93 0.43 4.61 0.00 -1.26 -5.16 121.76 118.44 1a90 s ALA 10 Ca 0.00 1.19 -0.17 0.00 0.00 0.00 0.00 51.96 52.97 1a90 s ALA 10 Cb 0.00 0.21 -0.09 0.00 0.00 0.00 0.00 23.12 23.24 1a90 s ALA 10 CO 0.00 -0.69 0.89 -1.25 0.00 0.00 0.00 175.76 174.71 1a90 s PRO 11 N -2.82 4.04 -0.68 0.00 0.04 -1.26 -4.39 135.00 129.93 1a90 s PRO 11 Ca 0.08 0.89 -0.07 0.00 0.04 0.00 0.00 61.00 61.93 1a90 s PRO 11 Cb -0.01 -2.25 0.18 0.00 0.04 0.00 0.00 34.50 32.46 1a90 s PRO 11 CO -0.06 -0.06 0.55 0.08 0.04 0.00 0.00 177.00 177.55 1a90 s VAL 12 N -2.29 4.44 0.54 -0.36 1.01 -1.23 -4.97 120.40 117.55 1a90 s VAL 12 Ca 0.58 -2.68 -0.19 0.00 0.00 0.00 0.00 61.98 59.68 1a90 s VAL 12 Cb -0.10 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.40 1a90 s VAL 12 CO 0.21 -0.92 1.13 -2.16 0.00 0.00 0.00 175.10 173.37 1a90 s PRO 13 N 0.14 3.34 0.32 2.72 0.04 -1.26 -1.46 135.00 138.83 1a90 s PRO 13 Ca 0.16 1.63 0.09 0.00 0.04 0.00 0.00 61.00 62.92 1a90 s PRO 13 Cb -0.17 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1a90 s PRO 13 CO -0.05 -0.86 -0.01 0.08 0.04 0.00 0.00 177.00 176.20 1a90 s VAL 14 N -1.76 2.82 -0.05 -0.36 1.01 -1.13 -4.90 120.40 116.04 1a90 s VAL 14 Ca 0.73 -1.99 -0.31 0.00 0.00 0.00 0.00 61.98 60.41 1a90 s VAL 14 Cb -0.24 -2.76 0.12 0.00 0.00 0.00 0.00 36.38 33.49 1a90 s VAL 14 CO 0.27 -0.26 1.15 1.51 0.00 0.00 0.00 175.10 177.77 1a90 s ASP 15 N -3.69 -0.15 0.00 3.32 1.47 -1.26 -4.90 116.67 111.45 1a90 s ASP 15 Ca 0.34 -0.10 0.00 0.00 1.18 0.00 0.00 52.55 53.96 1a90 s ASP 15 Cb -0.02 0.24 0.00 0.00 -0.34 0.00 0.00 42.92 42.79 1a90 s ASP 15 CO 0.19 -0.41 0.00 -0.62 0.68 0.00 0.00 175.17 175.01 1a90 n GLU 16 N -0.30 0.00 0.00 2.11 -0.58 -1.26 -4.38 120.64 116.23 1a90 n GLU 16 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1a90 n GLU 16 Cb 0.61 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.48 1a90 n GLU 16 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1a90 n ASN 17 N 3.07 0.00 -2.13 1.62 0.23 -1.26 -5.12 115.26 111.67 1a90 n ASN 17 Ca 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 54.03 1a90 n ASN 17 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.69 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 -0.56 -3.26 0.26 0.53 9.92 -1.26 -4.46 116.55 117.72 1a90 n ASP 18 Ca 0.00 0.76 0.10 0.00 -0.53 0.00 0.00 54.79 55.12 1a90 n ASP 18 Cb 0.00 -3.35 0.69 0.00 -0.64 0.00 0.00 41.12 37.82 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 1.93 0.00 0.30 -1.24 9.09 -1.99 -1.01 114.58 121.67 1a90 h GLU 19 Ca -0.15 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.24 1a90 h GLU 19 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.44 1a90 h GLU 19 CO 0.03 0.08 -0.14 0.78 0.05 0.00 0.00 179.01 179.81 1a90 h GLY 20 N 0.34 -0.42 1.99 1.06 0.00 -1.99 -1.67 103.07 102.38 1a90 h GLY 20 Ca -0.00 0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 1a90 h GLY 20 CO 0.01 -0.15 -0.10 -2.00 0.00 0.00 0.00 176.54 174.30 1a90 h LEU 21 N -0.81 0.01 -0.31 3.11 7.12 -1.79 -1.97 115.31 120.67 1a90 h LEU 21 Ca -0.04 -0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.92 1a90 h LEU 21 Cb 0.51 -0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.63 1a90 h LEU 21 CO 0.07 0.11 0.00 1.56 -0.13 0.00 0.00 178.44 180.05 1a90 h GLN 22 N 0.01 0.54 0.00 1.25 4.20 -1.05 -0.96 115.11 119.10 1a90 h GLN 22 Ca 0.00 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.54 1a90 h GLN 22 Cb 0.18 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1a90 h GLN 22 CO 0.01 0.67 0.00 -0.09 -0.67 0.00 0.00 178.83 178.76 1a90 h ARG 23 N 0.33 0.00 0.18 1.46 9.65 -0.62 -1.55 114.38 123.84 1a90 h ARG 23 Ca 0.09 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 1a90 h ARG 23 Cb 0.43 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 1a90 h ARG 23 CO 0.01 0.00 -0.09 0.00 2.80 0.00 0.00 179.97 182.70 1a90 h ALA 24 N 2.03 -0.24 -0.69 2.80 0.00 -0.51 -2.03 119.26 120.62 1a90 h ALA 24 Ca 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1a90 h ALA 24 Cb 0.23 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1a90 h ALA 24 CO 0.00 -0.29 0.46 1.25 0.00 0.00 0.00 179.25 180.67 1a90 h LEU 25 N -0.92 0.77 -1.20 0.00 6.46 -0.99 -0.80 115.31 118.62 1a90 h LEU 25 Ca -0.02 -0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.66 1a90 h LEU 25 Cb 0.49 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 1a90 h LEU 25 CO 0.04 0.54 -0.31 1.56 -0.62 0.00 0.00 178.44 179.65 1a90 h GLN 26 N 0.90 0.00 0.26 1.25 4.20 -1.32 -0.34 115.11 120.06 1a90 h GLN 26 Ca 0.26 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 1a90 h GLN 26 Cb -0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1a90 h GLN 26 CO -0.06 0.31 -0.13 0.35 -0.67 0.00 0.00 178.83 178.63 1a90 h PHE 27 N 0.00 -0.33 -0.04 2.96 3.04 -0.38 -2.16 116.94 120.03 1a90 h PHE 27 Ca -0.00 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 1a90 h PHE 27 Cb 0.73 0.11 -0.00 0.00 2.56 0.00 0.00 35.95 39.35 1a90 h PHE 27 CO 0.00 0.01 -0.05 0.00 -2.02 0.00 0.00 178.31 176.25 1a90 h ALA 28 N -0.61 0.06 -0.99 2.41 0.00 -1.48 -2.50 119.26 116.16 1a90 h ALA 28 Ca -0.04 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.67 1a90 h ALA 28 Cb 0.48 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1a90 h ALA 28 CO 0.06 -0.14 0.63 0.97 0.00 0.00 0.00 179.25 180.77 1a90 h ILE 29 N -0.36 1.04 -0.82 0.00 6.09 0.80 0.76 117.51 125.01 1a90 h ILE 29 Ca 0.01 -0.38 0.08 0.00 -1.37 0.00 0.00 64.86 63.19 1a90 h ILE 29 Cb 0.57 -0.17 -0.05 0.00 0.47 0.00 0.00 36.82 37.64 1a90 h ILE 29 CO 0.01 0.20 0.54 0.00 -3.07 0.00 0.00 178.15 175.83 1a90 h ALA 30 N 1.47 1.65 0.00 0.18 0.00 -1.31 0.28 119.26 121.53 1a90 h ALA 30 Ca 0.45 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.29 1a90 h ALA 30 Cb 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1a90 h ALA 30 CO -0.20 0.21 -0.26 0.93 0.00 0.00 0.00 179.25 179.93 1a90 h GLU 31 N 0.85 0.00 -0.16 0.00 4.39 0.83 -2.53 114.58 117.96 1a90 h GLU 31 Ca 0.37 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.02 1a90 h GLU 31 Cb 0.31 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1a90 h GLU 31 CO -0.14 0.26 -0.07 -0.92 -1.16 0.00 0.00 179.01 176.98 1a90 h TYR 32 N 0.00 0.38 0.16 4.33 5.03 0.26 0.53 116.97 127.67 1a90 h TYR 32 Ca -0.00 -0.09 -0.01 0.00 2.58 0.00 0.00 58.73 61.21 1a90 h TYR 32 Cb 0.94 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 39.13 1a90 h TYR 32 CO 0.00 0.64 -0.08 -0.97 -1.32 0.00 0.00 178.16 176.43 1a90 h ASN 33 N 0.01 -0.19 0.76 -2.11 -0.73 -1.40 -2.08 115.58 109.85 1a90 h ASN 33 Ca 0.04 -0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.10 1a90 h ASN 33 Cb 0.54 0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.17 1a90 h ASN 33 CO 0.02 -0.00 0.00 0.54 -0.37 0.00 0.00 177.43 177.62 1a90 n ARG 34 N -5.12 0.20 0.08 6.67 1.74 -0.96 -2.14 116.66 117.12 1a90 n ARG 34 Ca -0.09 0.41 0.12 0.00 -0.77 0.00 0.00 57.85 57.53 1a90 n ARG 34 Cb 0.16 -1.86 0.29 0.00 -1.02 0.00 0.00 32.46 30.03 1a90 n ARG 34 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a90 n ALA 35 N -1.77 2.65 0.08 7.54 0.00 0.19 -3.85 120.51 125.34 1a90 n ALA 35 Ca 0.02 -0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.10 1a90 n ALA 35 Cb 0.24 -1.31 -0.14 0.00 0.00 0.00 0.00 19.45 18.24 1a90 n ALA 35 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1a90 h SER 36 N 0.00 0.68 0.00 0.00 4.64 -0.88 -3.50 113.55 114.49 1a90 h SER 36 Ca 0.00 -0.88 0.00 0.00 -0.47 0.00 0.00 61.79 60.44 1a90 h SER 36 Cb 0.73 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1a90 h SER 36 CO 0.00 1.50 0.00 0.59 -0.87 0.00 0.00 176.83 178.05 1a90 n ASN 37 N -3.96 0.00 -1.71 4.97 3.02 -1.25 -3.58 115.26 112.75 1a90 n ASN 37 Ca -0.14 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.35 1a90 n ASN 37 Cb 0.90 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 40.05 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 1.28 5.57 0.01 6.41 2.03 -1.22 -4.08 116.55 126.55 1a90 n ASP 38 Ca 0.00 -2.57 -0.01 0.00 0.52 0.00 0.00 54.79 52.73 1a90 n ASP 38 Cb 0.00 -1.18 -0.00 0.00 -0.72 0.00 0.00 41.12 39.22 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 1.47 0.06 -2.80 -0.67 5.02 -1.23 -4.41 118.16 115.59 1a90 n LYS 39 Ca 0.15 0.02 -0.01 0.00 -2.02 0.00 0.00 58.31 56.45 1a90 n LYS 39 Cb 0.60 -0.45 0.01 0.00 -0.02 0.00 0.00 35.03 35.17 1a90 n LYS 39 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1a90 n TYR 40 N -3.22 -0.95 -3.81 2.13 4.02 -1.26 -4.27 117.16 109.80 1a90 n TYR 40 Ca -0.02 -0.68 -0.13 0.00 -0.01 0.00 0.00 57.90 57.07 1a90 n TYR 40 Cb 0.06 0.33 -0.13 0.00 -0.02 0.00 0.00 39.34 39.58 1a90 n TYR 40 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1a90 s SER 41 N -2.37 -0.15 -0.27 7.72 0.01 0.78 -4.56 113.70 114.85 1a90 s SER 41 Ca 0.13 0.30 -0.02 0.00 1.31 0.00 0.00 55.95 57.67 1a90 s SER 41 Cb -0.01 0.30 0.03 0.00 0.21 0.00 0.00 66.02 66.54 1a90 s SER 41 CO 0.03 -0.06 -0.03 -0.44 0.41 0.00 0.00 173.24 173.15 1a90 s SER 42 N 0.20 4.58 0.00 2.44 0.01 -1.25 0.14 113.70 119.83 1a90 s SER 42 Ca -0.01 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.26 1a90 s SER 42 Cb -0.02 -1.70 0.00 0.00 0.21 0.00 0.00 66.02 64.51 1a90 s SER 42 CO -0.01 -0.18 0.00 0.54 0.41 0.00 0.00 173.24 174.01 1a90 n ARG 43 N 4.67 0.00 -4.02 12.44 1.74 0.12 -4.33 116.66 127.28 1a90 n ARG 43 Ca -0.15 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.70 1a90 n ARG 43 Cb 0.46 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.84 1a90 n ARG 43 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a90 s VAL 44 N 0.00 3.15 0.21 1.55 1.01 -1.26 -0.50 120.40 124.56 1a90 s VAL 44 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 61.98 60.37 1a90 s VAL 44 Cb 0.00 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1a90 s VAL 44 CO 0.00 -0.18 0.00 0.52 0.00 0.00 0.00 175.10 175.44 1a90 n VAL 45 N -1.21 0.00 -3.21 2.92 0.31 0.56 -2.62 118.33 115.08 1a90 n VAL 45 Ca -0.03 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.31 1a90 n VAL 45 Cb 0.61 -0.27 -0.01 0.00 -0.91 0.00 0.00 33.84 33.26 1a90 n VAL 45 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1a90 s ARG 46 N -1.64 0.77 0.93 5.55 0.52 -1.18 -5.00 118.95 118.91 1a90 s ARG 46 Ca 0.00 -0.15 -0.11 0.00 -0.52 0.00 0.00 55.73 54.95 1a90 s ARG 46 Cb 0.00 0.10 0.10 0.00 0.52 0.00 0.00 34.95 35.67 1a90 s ARG 46 CO 0.00 -1.17 0.81 0.28 0.02 0.00 0.00 175.30 175.24 1a90 n VAL 47 N 4.58 0.03 0.00 3.52 0.31 -1.26 -3.41 118.33 122.09 1a90 n VAL 47 Ca 0.10 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1a90 n VAL 47 Cb 0.56 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 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 -3.95 0.00 -3.61 2.52 5.41 -1.24 -4.82 119.36 113.67 1a90 n ILE 48 Ca 0.10 -0.29 -0.01 0.00 1.00 0.00 0.00 62.75 63.55 1a90 n ILE 48 Cb 0.53 0.80 -0.01 0.00 -0.71 0.00 0.00 39.64 40.24 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 -1.23 -0.10 -0.30 4.38 0.15 -1.26 -4.86 113.70 110.49 1a90 s SER 49 Ca 0.00 -0.08 -0.01 0.00 0.70 0.00 0.00 55.95 56.56 1a90 s SER 49 Cb 0.00 0.16 0.19 0.00 -1.71 0.00 0.00 66.02 64.66 1a90 s SER 49 CO 0.00 -0.28 0.70 0.00 1.20 0.00 0.00 173.24 174.86 1a90 s ALA 50 N -2.44 -2.61 0.11 5.45 0.00 -1.25 -1.67 121.76 119.35 1a90 s ALA 50 Ca 0.12 1.52 -0.00 0.00 0.00 0.00 0.00 51.96 53.60 1a90 s ALA 50 Cb 0.02 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 1a90 s ALA 50 CO -0.04 -1.56 0.00 0.15 0.00 0.00 0.00 175.76 174.31 1a90 s LYS 51 N 2.87 0.84 -0.53 0.00 1.02 -0.37 -2.85 119.74 120.72 1a90 s LYS 51 Ca 0.15 -1.37 0.04 0.00 0.02 0.00 0.00 55.97 54.81 1a90 s LYS 51 Cb -0.12 0.08 0.16 0.00 -0.52 0.00 0.00 37.83 37.43 1a90 s LYS 51 CO -0.21 -0.15 0.36 -0.98 -0.92 0.00 0.00 175.35 173.44 1a90 s ARG 52 N -3.95 1.66 0.53 1.68 1.70 -0.54 -1.27 118.95 118.75 1a90 s ARG 52 Ca 0.17 -2.55 -0.19 0.00 -0.47 0.00 0.00 55.73 52.69 1a90 s ARG 52 Cb 0.07 -2.56 -0.11 0.00 -0.57 0.00 0.00 34.95 31.78 1a90 s ARG 52 CO -0.03 -1.26 0.39 1.04 -1.08 0.00 0.00 175.30 174.36 1a90 n GLN 53 N 2.78 0.41 -3.88 3.89 3.00 0.48 -3.47 117.38 120.59 1a90 n GLN 53 Ca 0.18 0.16 -0.32 0.00 -0.01 0.00 0.00 57.00 57.00 1a90 n GLN 53 Cb 0.38 -1.51 -0.13 0.00 0.00 0.00 0.00 30.24 28.98 1a90 n GLN 53 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1a90 s LEU 54 N 1.88 4.68 0.00 1.08 2.96 -1.26 -1.51 118.68 126.51 1a90 s LEU 54 Ca 0.65 -2.85 0.00 0.00 -0.22 0.00 0.00 54.13 51.71 1a90 s LEU 54 Cb -0.49 -1.71 0.00 0.00 0.50 0.00 0.00 46.19 44.49 1a90 s LEU 54 CO 0.58 -0.30 0.00 0.55 -1.32 0.00 0.00 176.35 175.86 1a90 n VAL 55 N 3.38 0.00 -0.52 1.68 3.14 -1.26 -4.91 118.33 119.85 1a90 n VAL 55 Ca 0.06 0.00 0.44 0.00 -2.96 0.00 0.00 64.34 61.88 1a90 n VAL 55 Cb 0.35 0.00 0.73 0.00 -1.06 0.00 0.00 33.84 33.87 1a90 n VAL 55 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1a90 h SER 56 N 0.00 0.00 -5.45 6.55 4.64 -2.02 -3.40 113.55 113.87 1a90 h SER 56 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 1a90 h SER 56 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.98 1a90 h SER 56 CO 0.00 0.00 -0.29 -0.83 -0.87 0.00 0.00 176.83 174.84 1a90 s GLY 57 N -3.80 1.14 0.48 -0.77 0.00 -1.26 -4.99 107.32 98.12 1a90 s GLY 57 Ca -0.05 -1.34 -0.10 0.00 0.00 0.00 0.00 44.72 43.24 1a90 s GLY 57 CO 0.78 -0.98 0.84 -0.42 0.00 0.00 0.00 173.10 173.32 1a90 s ILE 58 N -3.75 4.78 -0.14 0.90 1.09 -0.86 -4.55 121.20 118.67 1a90 s ILE 58 Ca 0.30 0.61 0.02 0.00 -1.10 0.00 0.00 60.65 60.48 1a90 s ILE 58 Cb 0.02 -3.79 0.02 0.00 -1.06 0.00 0.00 42.46 37.64 1a90 s ILE 58 CO 0.14 -0.74 -0.18 -0.54 -0.10 0.00 0.00 174.94 173.52 1a90 s LYS 59 N -4.36 2.62 -0.84 2.79 1.02 -0.57 -1.16 119.74 119.23 1a90 s LYS 59 Ca 0.52 -0.70 -0.19 0.00 0.02 0.00 0.00 55.97 55.62 1a90 s LYS 59 Cb -0.10 -2.22 0.13 0.00 -0.52 0.00 0.00 37.83 35.12 1a90 s LYS 59 CO 0.39 -0.11 1.00 0.71 -0.92 0.00 0.00 175.35 176.42 1a90 s TYR 60 N 1.09 3.14 -0.39 3.18 1.51 0.21 -0.38 117.35 125.71 1a90 s TYR 60 Ca -0.02 -1.32 -0.18 0.00 -1.01 0.00 0.00 57.07 54.53 1a90 s TYR 60 Cb -0.14 -4.18 0.01 0.00 -0.11 0.00 0.00 41.96 37.54 1a90 s TYR 60 CO -0.06 -1.41 0.50 0.42 -1.11 0.00 0.00 175.55 173.90 1a90 s ILE 61 N 2.48 5.01 0.14 2.71 -1.09 -0.40 -1.41 121.20 128.64 1a90 s ILE 61 Ca 0.26 0.02 0.09 0.00 -2.23 0.00 0.00 60.65 58.80 1a90 s ILE 61 Cb -0.10 -4.04 -0.04 0.00 -1.58 0.00 0.00 42.46 36.71 1a90 s ILE 61 CO -0.05 -0.37 -0.22 -0.22 -1.23 0.00 0.00 174.94 172.85 1a90 s LEU 62 N 2.38 2.36 0.16 2.97 0.20 -0.22 -1.24 118.68 125.28 1a90 s LEU 62 Ca 0.17 -0.77 0.08 0.00 0.69 0.00 0.00 54.13 54.30 1a90 s LEU 62 Cb -0.16 -1.00 -0.04 0.00 -0.43 0.00 0.00 46.19 44.57 1a90 s LEU 62 CO 0.15 0.08 -0.09 -1.10 -0.29 0.00 0.00 176.35 175.09 1a90 s GLN 63 N -2.26 2.08 -0.29 1.98 -1.52 -0.67 -1.18 119.66 117.80 1a90 s GLN 63 Ca 0.13 -1.21 -0.00 0.00 -1.95 0.00 0.00 55.36 52.33 1a90 s GLN 63 Cb -0.09 -2.20 0.18 0.00 -0.22 0.00 0.00 33.01 30.69 1a90 s GLN 63 CO 0.06 0.45 0.56 0.14 -0.25 0.00 0.00 175.29 176.25 1a90 s VAL 64 N -1.59 -0.92 -0.41 1.09 -7.23 0.38 -3.68 120.40 108.04 1a90 s VAL 64 Ca 0.24 -0.02 -0.27 0.00 -1.81 0.00 0.00 61.98 60.11 1a90 s VAL 64 Cb -0.09 -0.97 0.02 0.00 0.56 0.00 0.00 36.38 35.90 1a90 s VAL 64 CO 0.15 -0.03 1.03 -0.70 -0.31 0.00 0.00 175.10 175.24 1a90 s GLU 65 N 2.80 3.80 -0.03 4.82 2.56 -1.22 -1.59 118.70 129.84 1a90 s GLU 65 Ca 0.18 0.61 -0.23 0.00 0.00 0.00 0.00 54.97 55.53 1a90 s GLU 65 Cb -0.14 -3.84 -0.04 0.00 2.00 0.00 0.00 34.13 32.10 1a90 s GLU 65 CO -0.21 -1.13 0.69 0.42 -0.56 0.00 0.00 175.26 174.47 1a90 s ILE 66 N 3.88 4.96 0.07 -3.70 -1.09 0.40 -0.32 121.20 125.41 1a90 s ILE 66 Ca 0.43 1.43 0.00 0.00 -2.23 0.00 0.00 60.65 60.28 1a90 s ILE 66 Cb -0.10 -4.03 0.01 0.00 -1.58 0.00 0.00 42.46 36.76 1a90 s ILE 66 CO 0.24 0.31 0.10 0.61 -1.23 0.00 0.00 174.94 174.96 1a90 n GLY 67 N 2.84 1.30 3.80 6.18 0.00 0.34 -1.62 105.19 118.03 1a90 n GLY 67 Ca -0.03 -2.05 -0.39 0.00 0.00 0.00 0.00 46.02 43.56 1a90 n GLY 67 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1a90 s ARG 68 N -2.49 4.33 0.00 1.61 1.70 -1.26 0.14 118.95 122.99 1a90 s ARG 68 Ca 0.07 0.89 0.00 0.00 -0.47 0.00 0.00 55.73 56.21 1a90 s ARG 68 Cb -0.00 -3.23 0.00 0.00 -0.57 0.00 0.00 34.95 31.15 1a90 s ARG 68 CO 0.04 0.61 0.00 -2.37 -1.08 0.00 0.00 175.30 172.50 1a90 n THR 69 N 1.63 0.00 0.00 4.99 5.66 0.12 -3.32 114.28 123.36 1a90 n THR 69 Ca -0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 1a90 n THR 69 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1a90 n THR 69 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1a90 n THR 70 N 0.00 0.00 -3.60 1.09 5.66 -0.23 -2.20 114.28 115.01 1a90 n THR 70 Ca 0.00 0.03 -0.27 0.00 -3.05 0.00 0.00 64.05 60.76 1a90 n THR 70 Cb 0.00 -0.09 0.01 0.00 -1.55 0.00 0.00 70.33 68.71 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 -1.62 0.00 0.10 0.00 -0.04 -1.26 -4.18 135.00 128.01 1a90 n PRO 72 Ca -0.20 0.23 -0.04 0.00 -0.04 0.00 0.00 63.50 63.45 1a90 n PRO 72 Cb 0.67 -0.92 -0.02 0.00 -0.04 0.00 0.00 33.50 33.19 1a90 n PRO 72 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1a90 h LYS 73 N 0.00 -0.25 0.00 0.54 1.63 -1.77 -3.24 116.57 113.47 1a90 h LYS 73 Ca 0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1a90 h LYS 73 Cb 0.00 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 1a90 h LYS 73 CO 0.00 -0.17 0.00 0.43 -3.45 0.00 0.00 179.45 176.26 1a90 n SER 74 N -2.81 0.00 -0.15 4.20 7.64 -1.26 -4.76 113.62 116.47 1a90 n SER 74 Ca -0.03 0.00 0.27 0.00 1.01 0.00 0.00 58.87 60.12 1a90 n SER 74 Cb 0.10 0.00 0.55 0.00 -1.01 0.00 0.00 64.21 63.85 1a90 n SER 74 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1a90 h SER 75 N 0.00 0.00 -0.40 6.43 0.02 -1.96 0.48 113.55 118.11 1a90 h SER 75 Ca 0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 1a90 h SER 75 Cb 0.00 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.42 1a90 h SER 75 CO 0.00 0.00 0.34 0.61 -1.14 0.00 0.00 176.83 176.64 1a90 n GLY 76 N -1.66 3.77 1.80 -3.77 0.00 -1.26 -4.24 105.19 99.83 1a90 n GLY 76 Ca 0.20 -0.88 -0.19 0.00 0.00 0.00 0.00 46.02 45.15 1a90 n GLY 76 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a90 n ASP 77 N 0.48 4.49 0.00 1.61 -0.08 0.17 -4.49 116.55 118.72 1a90 n ASP 77 Ca 0.25 -3.78 0.00 0.00 -1.51 0.00 0.00 54.79 49.75 1a90 n ASP 77 Cb 0.60 -0.40 0.00 0.00 2.34 0.00 0.00 41.12 43.66 1a90 n ASP 77 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1a90 n LEU 78 N -0.79 0.08 -3.56 -2.67 4.32 -1.26 -4.98 117.00 108.15 1a90 n LEU 78 Ca 0.41 0.80 -0.10 0.00 -0.02 0.00 0.00 56.01 57.10 1a90 n LEU 78 Cb 0.92 -0.35 -0.02 0.00 -1.62 0.00 0.00 43.42 42.35 1a90 n LEU 78 CO 0.34 -0.35 0.47 0.00 -1.22 0.00 0.00 177.39 176.64 1a90 s GLN 79 N -2.24 1.34 -1.31 3.23 -2.07 -1.26 -4.96 119.66 112.38 1a90 s GLN 79 Ca 0.00 -0.58 -0.05 0.00 -1.82 0.00 0.00 55.36 52.91 1a90 s GLN 79 Cb 0.00 0.56 0.01 0.00 -1.09 0.00 0.00 33.01 32.49 1a90 s GLN 79 CO 0.00 -0.59 1.01 0.45 -1.32 0.00 0.00 175.29 174.84 1a90 n SER 80 N -0.39 -3.69 -4.70 12.60 2.88 -1.26 -4.93 113.62 114.12 1a90 n SER 80 Ca -0.12 -0.65 -0.41 0.00 -1.33 0.00 0.00 58.87 56.36 1a90 n SER 80 Cb 0.63 -4.77 -0.04 0.00 -0.75 0.00 0.00 64.21 59.28 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 1.24 0.81 0.12 0.00 2.02 -1.26 -4.12 118.70 117.51 1a90 s GLU 82 Ca 0.45 -0.57 0.05 0.00 0.02 0.00 0.00 54.97 54.91 1a90 s GLU 82 Cb -0.19 -0.77 0.39 0.00 0.10 0.00 0.00 34.13 33.66 1a90 s GLU 82 CO 0.21 0.20 0.55 1.19 0.02 0.00 0.00 175.26 177.43 1a90 n PHE 83 N 2.27 0.33 -2.47 1.61 3.72 -1.21 -1.06 117.46 120.65 1a90 n PHE 83 Ca -0.17 0.42 -0.03 0.00 -0.05 0.00 0.00 57.45 57.62 1a90 n PHE 83 Cb 0.56 -0.83 0.07 0.00 -0.94 0.00 0.00 39.48 38.33 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 -4.00 -1.36 -0.87 1.38 -0.00 -1.26 -3.14 115.22 105.97 1a90 n HIS 84 Ca 0.11 -1.23 0.00 0.00 0.46 0.00 0.00 57.72 57.06 1a90 n HIS 84 Cb 0.38 1.20 0.00 0.00 -0.12 0.00 0.00 29.99 31.44 1a90 n HIS 84 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1a90 n ASP 85 N -1.02 -2.87 0.00 0.26 2.03 -0.84 -4.89 116.55 109.22 1a90 n ASP 85 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 1a90 n ASP 85 Cb 0.78 -2.06 0.00 0.00 -0.72 0.00 0.00 41.12 39.13 1a90 n ASP 85 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1a90 n GLU 86 N -1.11 0.00 0.00 -0.67 0.28 -1.26 -5.00 120.64 112.88 1a90 n GLU 86 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1a90 n GLU 86 Cb 0.19 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.06 1a90 n GLU 86 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1a90 n PRO 87 N -0.14 2.58 -2.48 3.44 -0.04 -1.26 -1.04 135.00 136.06 1a90 n PRO 87 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 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 -1.91 -0.04 0.00 0.00 175.50 173.55 1a90 n GLU 88 N 0.00 -1.95 0.00 0.54 4.07 -1.26 -2.13 120.64 119.91 1a90 n GLU 88 Ca 0.00 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 1a90 n GLU 88 Cb 0.00 -3.31 0.00 0.00 -0.06 0.00 0.00 31.44 28.07 1a90 n GLU 88 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1a90 n LEU 89 N -2.19 0.00 -2.70 4.31 0.00 -1.26 -4.97 117.00 110.19 1a90 n LEU 89 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 56.01 55.75 1a90 n LEU 89 Cb 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.71 1a90 n LEU 89 CO 0.21 0.00 1.87 0.00 0.00 0.00 0.00 177.39 179.48 1a90 n ALA 90 N 0.00 6.59 -1.00 1.96 0.00 -0.21 -4.86 120.51 123.00 1a90 n ALA 90 Ca 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 53.44 50.30 1a90 n ALA 90 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.07 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 1.45 2.28 -4.05 0.00 5.02 -1.26 -4.75 118.16 116.84 1a90 n LYS 91 Ca 0.53 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.70 1a90 n LYS 91 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.48 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 0.78 0.20 2.13 2.02 -1.26 -4.53 117.35 116.70 1a90 s TYR 92 Ca 0.00 -1.08 -0.00 0.00 -0.37 0.00 0.00 57.07 55.62 1a90 s TYR 92 Cb 0.00 0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.54 1a90 s TYR 92 CO 0.00 -1.07 0.10 -0.08 -1.57 0.00 0.00 175.55 172.92 1a90 s THR 93 N -3.43 0.23 -0.14 -0.71 -1.32 -0.64 -4.95 115.64 104.68 1a90 s THR 93 Ca 0.28 -1.98 0.02 0.00 -1.21 0.00 0.00 61.69 58.80 1a90 s THR 93 Cb -0.00 -2.41 0.01 0.00 -1.51 0.00 0.00 72.50 68.59 1a90 s THR 93 CO 0.15 -0.13 -0.20 -0.89 -2.21 0.00 0.00 174.62 171.34 1a90 s THR 94 N -3.99 1.93 0.09 5.08 2.01 -1.26 -0.45 115.64 119.05 1a90 s THR 94 Ca 0.34 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.47 1a90 s THR 94 Cb 0.07 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 1a90 s THR 94 CO 0.10 0.52 -0.07 0.00 -0.69 0.00 0.00 174.62 174.48 1a90 s THR 96 N -3.23 2.00 -0.13 0.00 2.01 -0.39 -0.47 115.64 115.42 1a90 s THR 96 Ca 0.09 -1.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.05 1a90 s THR 96 Cb 0.03 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 1a90 s THR 96 CO -0.04 0.55 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.08 1a90 s PHE 97 N 0.21 3.11 -0.23 4.92 0.08 -0.33 0.02 117.98 125.75 1a90 s PHE 97 Ca -0.14 -0.05 0.02 0.00 0.12 0.00 0.00 56.93 56.88 1a90 s PHE 97 Cb -0.17 -1.92 0.05 0.00 -0.57 0.00 0.00 43.02 40.42 1a90 s PHE 97 CO 0.07 0.18 -0.10 0.08 -0.10 0.00 0.00 175.22 175.35 1a90 s VAL 98 N -0.09 1.89 -0.13 -0.44 1.01 -1.15 -1.06 120.40 120.43 1a90 s VAL 98 Ca 0.04 -1.33 -0.00 0.00 0.00 0.00 0.00 61.98 60.69 1a90 s VAL 98 Cb -0.13 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 34.28 1a90 s VAL 98 CO 0.02 0.06 -0.10 -0.69 0.00 0.00 0.00 175.10 174.38 1a90 s VAL 99 N 1.25 1.25 0.20 2.92 1.01 -0.50 -0.33 120.40 126.20 1a90 s VAL 99 Ca -0.05 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 1a90 s VAL 99 Cb -0.18 -1.22 -0.08 0.00 0.00 0.00 0.00 36.38 34.90 1a90 s VAL 99 CO -0.07 0.40 1.07 -0.47 0.00 0.00 0.00 175.10 176.04 1a90 s TYR 100 N 1.59 3.65 -0.29 5.22 5.04 -0.44 0.66 117.35 132.79 1a90 s TYR 100 Ca 0.04 1.67 -0.01 0.00 -2.44 0.00 0.00 57.07 56.34 1a90 s TYR 100 Cb -0.13 -3.23 0.09 0.00 0.35 0.00 0.00 41.96 39.05 1a90 s TYR 100 CO -0.09 -0.41 0.07 -1.54 -1.34 0.00 0.00 175.55 172.24 1a90 s SER 101 N -0.36 3.94 -0.50 4.32 1.04 -0.31 -1.10 113.70 120.73 1a90 s SER 101 Ca 0.47 -1.54 -0.24 0.00 0.48 0.00 0.00 55.95 55.13 1a90 s SER 101 Cb -0.29 -0.92 0.03 0.00 0.10 0.00 0.00 66.02 64.94 1a90 s SER 101 CO 0.35 -0.38 0.87 -0.63 0.98 0.00 0.00 173.24 174.43 1a90 s ILE 102 N 1.57 4.52 -0.01 -1.02 1.01 -0.81 -2.03 121.20 124.44 1a90 s ILE 102 Ca 0.07 0.36 -0.25 0.00 0.00 0.00 0.00 60.65 60.84 1a90 s ILE 102 Cb -0.17 -4.43 -0.18 0.00 0.01 0.00 0.00 42.46 37.68 1a90 s ILE 102 CO -0.20 -0.91 1.26 1.55 0.00 0.00 0.00 174.94 176.63 1a90 h PRO 103 N 9.14 -0.15 0.00 2.79 0.13 -1.94 0.25 132.00 142.22 1a90 h PRO 103 Ca -0.25 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1a90 h PRO 103 Cb 1.08 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1a90 h PRO 103 CO 1.03 0.24 0.07 -2.67 -0.23 0.00 0.00 178.00 176.44 1a90 n TRP 104 N -4.97 0.05 -1.16 1.56 2.14 -1.26 -1.64 117.44 112.15 1a90 n TRP 104 Ca -0.09 0.03 0.01 0.00 2.07 0.00 0.00 57.50 59.52 1a90 n TRP 104 Cb 0.24 -0.47 0.01 0.00 -0.81 0.00 0.00 31.31 30.27 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 -1.49 0.45 -3.85 5.67 -0.00 -1.15 -5.02 117.00 111.61 1a90 n LEU 105 Ca -0.00 -0.80 -0.27 0.00 -0.00 0.00 0.00 56.01 54.94 1a90 n LEU 105 Cb 0.07 -0.03 -0.03 0.00 -0.00 0.00 0.00 43.42 43.43 1a90 n LEU 105 CO 0.01 0.20 -0.23 -3.20 -0.00 0.00 0.00 177.39 174.16 1a90 n ASN 106 N -0.18 -0.96 -3.98 1.96 5.15 0.76 -4.87 115.26 113.14 1a90 n ASN 106 Ca 0.01 -0.89 -0.31 0.00 -0.60 0.00 0.00 54.58 52.80 1a90 n ASN 106 Cb 0.54 -1.08 -0.15 0.00 -0.53 0.00 0.00 39.78 38.55 1a90 n ASN 106 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1a90 s GLN 107 N -6.34 1.40 0.29 1.20 0.74 -0.51 -4.97 119.66 111.48 1a90 s GLN 107 Ca 0.16 -1.74 -0.05 0.00 0.05 0.00 0.00 55.36 53.78 1a90 s GLN 107 Cb -0.09 -3.02 -0.05 0.00 1.10 0.00 0.00 33.01 30.95 1a90 s GLN 107 CO 0.68 -0.93 0.56 0.42 -0.55 0.00 0.00 175.29 175.46 1a90 s ILE 108 N 1.01 5.02 -0.24 -2.34 1.01 -1.26 -1.92 121.20 122.49 1a90 s ILE 108 Ca 0.10 0.04 -0.14 0.00 0.00 0.00 0.00 60.65 60.65 1a90 s ILE 108 Cb -0.19 -3.74 0.07 0.00 0.01 0.00 0.00 42.46 38.61 1a90 s ILE 108 CO -0.10 -0.34 0.59 -0.75 0.00 0.00 0.00 174.94 174.34 1a90 s LYS 109 N -3.60 0.61 0.96 2.79 2.20 -0.26 -4.98 119.74 117.46 1a90 s LYS 109 Ca 0.44 1.04 -0.11 0.00 -0.36 0.00 0.00 55.97 56.98 1a90 s LYS 109 Cb -0.11 0.11 0.17 0.00 -1.51 0.00 0.00 37.83 36.49 1a90 s LYS 109 CO 0.30 -0.15 1.10 -1.17 -0.36 0.00 0.00 175.35 175.08 1a90 s LEU 110 N 1.42 2.26 0.00 5.43 2.96 -1.26 -1.33 118.68 128.16 1a90 s LEU 110 Ca -0.09 1.85 0.00 0.00 -0.22 0.00 0.00 54.13 55.67 1a90 s LEU 110 Cb -0.06 -4.16 0.00 0.00 0.50 0.00 0.00 46.19 42.47 1a90 s LEU 110 CO -0.15 -3.16 0.00 0.18 -1.32 0.00 0.00 176.35 171.89 1a90 n LEU 111 N -4.25 0.00 -3.91 -0.68 4.32 0.55 -4.72 117.00 108.31 1a90 n LEU 111 Ca 0.08 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.78 1a90 n LEU 111 Cb 0.53 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.20 1a90 n LEU 111 CO 0.53 0.00 -0.12 -1.61 -1.22 0.00 0.00 177.39 174.96 1a90 s GLU 112 N 0.00 2.13 -1.09 3.23 2.02 -1.18 -4.93 118.70 118.88 1a90 s GLU 112 Ca 0.00 -2.89 -0.17 0.00 0.02 0.00 0.00 54.97 51.93 1a90 s GLU 112 Cb 0.00 -3.29 0.13 0.00 0.10 0.00 0.00 34.13 31.08 1a90 s GLU 112 CO 0.00 -1.19 1.35 -1.54 0.02 0.00 0.00 175.26 173.90 1a90 s SER 113 N -0.75 6.81 -1.05 -0.19 1.04 -1.25 -2.95 113.70 115.37 1a90 s SER 113 Ca 0.21 -2.40 -0.22 0.00 0.48 0.00 0.00 55.95 54.01 1a90 s SER 113 Cb -0.16 -2.44 0.06 0.00 0.10 0.00 0.00 66.02 63.58 1a90 s SER 113 CO -0.07 -1.00 1.47 -0.54 0.98 0.00 0.00 173.24 174.08 1a90 s LYS 114 N 2.65 3.65 -0.96 4.02 -0.14 0.10 -4.81 119.74 124.25 1a90 s LYS 114 Ca 0.40 -1.29 -0.10 0.00 -1.36 0.00 0.00 55.97 53.62 1a90 s LYS 114 Cb -0.03 -5.35 0.24 0.00 -1.68 0.00 0.00 37.83 31.02 1a90 s LYS 114 CO -0.04 -2.18 0.92 0.00 -0.76 0.00 0.00 175.35 173.28