#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3in1 s LEU 4 N 0.00 3.86 -0.18 -4.53 2.96 -1.26 -4.29 118.68 115.23 3in1 s LEU 4 Ca 0.00 1.21 0.08 0.00 -0.22 0.00 0.00 54.13 55.20 3in1 s LEU 4 Cb 0.00 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 42.93 3in1 s LEU 4 CO 0.00 -1.12 0.11 0.47 -1.32 0.00 0.00 176.35 174.49 3in1 n ASP 5 N 7.78 1.13 -3.99 3.68 9.92 -0.25 -4.03 116.55 130.79 3in1 n ASP 5 Ca 0.15 0.05 -0.15 0.00 -0.53 0.00 0.00 54.79 54.31 3in1 n ASP 5 Cb 0.47 0.07 -0.14 0.00 -0.64 0.00 0.00 41.12 40.88 3in1 n ASP 5 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3in1 s VAL 6 N -2.53 0.47 -0.21 2.53 1.01 -0.74 -1.79 120.40 119.14 3in1 s VAL 6 Ca -0.19 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.37 3in1 s VAL 6 Cb 0.07 -0.43 0.03 0.00 0.00 0.00 0.00 36.38 36.05 3in1 s VAL 6 CO 0.74 0.02 -0.14 -0.63 0.00 0.00 0.00 175.10 175.09 3in1 s ILE 7 N -0.39 2.36 -0.15 2.22 1.01 0.02 -0.95 121.20 125.32 3in1 s ILE 7 Ca -0.00 -1.06 -0.05 0.00 0.00 0.00 0.00 60.65 59.54 3in1 s ILE 7 Cb -0.04 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 3in1 s ILE 7 CO -0.00 0.34 0.02 0.00 0.00 0.00 0.00 174.94 175.30 3in1 s ILE 9 N 0.02 2.13 -0.87 0.00 1.01 -0.07 -4.38 121.20 119.04 3in1 s ILE 9 Ca 0.04 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.76 3in1 s ILE 9 Cb -0.13 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.46 3in1 s ILE 9 CO 0.02 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.10 3in1 n GLY 10 N 4.41 -1.37 3.65 6.18 0.00 -1.26 -0.62 105.19 116.18 3in1 n GLY 10 Ca -0.20 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 3in1 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3in1 s ALA 11 N -1.74 3.57 -0.15 4.61 0.00 -1.26 -4.46 121.76 122.33 3in1 s ALA 11 Ca 0.00 -0.31 -0.19 0.00 0.00 0.00 0.00 51.96 51.45 3in1 s ALA 11 Cb 0.00 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.09 3in1 s ALA 11 CO 0.00 -0.64 0.55 0.00 0.00 0.00 0.00 175.76 175.67 3in1 s ALA 12 N 2.11 3.49 0.32 0.00 0.00 -1.26 -4.47 121.76 121.95 3in1 s ALA 12 Ca 0.28 -0.23 0.06 0.00 0.00 0.00 0.00 51.96 52.08 3in1 s ALA 12 Cb -0.16 -2.80 -0.02 0.00 0.00 0.00 0.00 23.12 20.14 3in1 s ALA 12 CO 0.10 -0.25 0.23 0.44 0.00 0.00 0.00 175.76 176.27 3in1 n ILE 13 N 4.15 0.00 -4.38 0.00 -5.35 -0.98 -4.71 119.36 108.08 3in1 n ILE 13 Ca -0.04 -2.21 -0.21 0.00 -0.27 0.00 0.00 62.75 60.02 3in1 n ILE 13 Cb 0.51 1.02 -0.13 0.00 -1.74 0.00 0.00 39.64 39.30 3in1 n ILE 13 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 3in1 s VAL 14 N -3.16 1.27 0.11 7.28 -7.23 -0.97 -0.95 120.40 116.73 3in1 s VAL 14 Ca 0.32 -1.12 0.10 0.00 -1.81 0.00 0.00 61.98 59.47 3in1 s VAL 14 Cb 0.02 -1.14 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 3in1 s VAL 14 CO 0.23 0.01 -0.26 -1.81 -0.31 0.00 0.00 175.10 172.95 3in1 s ASP 15 N -1.28 3.33 -0.38 4.85 1.01 0.23 -1.10 116.67 123.32 3in1 s ASP 15 Ca 0.03 -0.70 0.01 0.00 0.71 0.00 0.00 52.55 52.60 3in1 s ASP 15 Cb -0.08 -0.26 0.12 0.00 1.01 0.00 0.00 42.92 43.70 3in1 s ASP 15 CO 0.02 0.20 0.16 -0.63 0.21 0.00 0.00 175.17 175.13 3in1 s ILE 16 N -1.00 1.24 0.00 0.77 1.01 -0.15 -1.10 121.20 121.98 3in1 s ILE 16 Ca 0.14 -2.05 -0.30 0.00 0.00 0.00 0.00 60.65 58.44 3in1 s ILE 16 Cb -0.10 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 3in1 s ILE 16 CO 0.05 -0.78 0.99 -2.16 0.00 0.00 0.00 174.94 173.04 3in1 s PRO 17 N 0.93 4.56 -0.27 2.79 0.04 -1.26 -1.34 135.00 140.44 3in1 s PRO 17 Ca 0.14 1.44 0.01 0.00 0.04 0.00 0.00 61.00 62.63 3in1 s PRO 17 Cb -0.21 -3.45 0.05 0.00 0.04 0.00 0.00 34.50 30.93 3in1 s PRO 17 CO -0.11 -0.06 -0.07 -0.51 0.04 0.00 0.00 177.00 176.30 3in1 s LEU 18 N 0.99 3.60 -0.10 -3.56 1.43 0.24 -4.75 118.68 116.54 3in1 s LEU 18 Ca 0.52 -1.33 -0.11 0.00 -1.03 0.00 0.00 54.13 52.18 3in1 s LEU 18 Cb -0.21 -1.61 0.03 0.00 0.03 0.00 0.00 46.19 44.42 3in1 s LEU 18 CO 0.28 -0.21 0.31 -1.10 0.23 0.00 0.00 176.35 175.86 3in1 s GLN 19 N 1.16 0.41 -0.04 1.70 -0.21 -1.26 -1.94 119.66 119.48 3in1 s GLN 19 Ca -0.07 0.34 0.00 0.00 0.02 0.00 0.00 55.36 55.65 3in1 s GLN 19 Cb -0.20 0.20 -0.03 0.00 1.00 0.00 0.00 33.01 33.97 3in1 s GLN 19 CO -0.04 -0.06 -0.01 -1.25 -2.12 0.00 0.00 175.29 171.82 3in1 s PRO 20 N -0.06 2.85 0.33 2.91 0.04 -1.26 -4.73 135.00 135.08 3in1 s PRO 20 Ca -0.02 -0.53 0.08 0.00 0.04 0.00 0.00 61.00 60.57 3in1 s PRO 20 Cb -0.03 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 3in1 s PRO 20 CO 0.01 0.66 0.10 0.14 0.04 0.00 0.00 177.00 177.95 3in1 s VAL 21 N -0.99 2.97 0.46 -0.36 -7.23 -0.91 -4.84 120.40 109.50 3in1 s VAL 21 Ca 0.17 -1.77 -0.22 0.00 -1.81 0.00 0.00 61.98 58.35 3in1 s VAL 21 Cb -0.11 -2.93 -0.08 0.00 0.56 0.00 0.00 36.38 33.81 3in1 s VAL 21 CO 0.06 -0.20 1.07 -0.44 -0.31 0.00 0.00 175.10 175.28 3in1 s SER 22 N -3.80 6.37 0.22 4.85 0.01 -1.26 -3.85 113.70 116.23 3in1 s SER 22 Ca 0.37 2.04 -0.09 0.00 1.31 0.00 0.00 55.95 59.57 3in1 s SER 22 Cb -0.02 -2.58 0.21 0.00 0.21 0.00 0.00 66.02 63.84 3in1 s SER 22 CO 0.22 -0.76 1.86 0.50 0.41 0.00 0.00 173.24 175.47 3in1 h LYS 23 N 1.86 0.92 -2.96 12.44 1.63 -1.99 -2.11 116.57 126.36 3in1 h LYS 23 Ca -0.49 -0.06 -0.78 0.00 -0.85 0.00 0.00 60.65 58.48 3in1 h LYS 23 Cb 1.23 -0.21 -0.20 0.00 -0.60 0.00 0.00 32.23 32.45 3in1 h LYS 23 CO 0.60 0.61 1.60 0.09 -3.45 0.00 0.00 179.45 178.89 3in1 n ASN 24 N -4.62 6.42 -0.33 4.20 3.02 -1.26 -4.86 115.26 117.83 3in1 n ASN 24 Ca 0.09 -3.29 0.19 0.00 -0.03 0.00 0.00 54.58 51.53 3in1 n ASN 24 Cb 0.08 -1.35 0.40 0.00 -0.61 0.00 0.00 39.78 38.31 3in1 n ASN 24 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3in1 h ILE 25 N 3.19 0.41 -4.05 2.41 2.10 -1.76 -3.41 117.51 116.40 3in1 h ILE 25 Ca 0.42 -0.14 -0.45 0.00 1.08 0.00 0.00 64.86 65.77 3in1 h ILE 25 Cb 0.51 -0.04 0.15 0.00 -1.09 0.00 0.00 36.82 36.35 3in1 h ILE 25 CO 1.45 0.08 0.33 -0.36 -1.08 0.00 0.00 178.15 178.56 3in1 s PHE 26 N -5.76 1.79 -0.03 2.19 0.40 -1.26 -4.73 117.98 110.59 3in1 s PHE 26 Ca -0.11 0.56 -0.02 0.00 -0.60 0.00 0.00 56.93 56.76 3in1 s PHE 26 Cb 0.28 -3.70 0.01 0.00 0.51 0.00 0.00 43.02 40.12 3in1 s PHE 26 CO 0.79 -2.72 0.04 -0.40 0.70 0.00 0.00 175.22 173.63 3in1 n ASP 27 N -3.92 -3.63 0.00 1.36 5.68 -1.26 -4.93 116.55 109.85 3in1 n ASP 27 Ca 0.11 0.69 0.00 0.00 -0.50 0.00 0.00 54.79 55.10 3in1 n ASP 27 Cb 0.60 -2.77 0.00 0.00 -1.14 0.00 0.00 41.12 37.81 3in1 n ASP 27 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3in1 n VAL 28 N 0.74 0.00 0.00 2.12 0.24 -1.26 -4.94 118.33 115.23 3in1 n VAL 28 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 3in1 n VAL 28 Cb 0.11 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.48 3in1 n VAL 28 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3in1 n ASP 29 N 0.00 0.00 -3.82 -1.34 8.00 -1.26 -5.04 116.55 113.09 3in1 n ASP 29 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 3in1 n ASP 29 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 3in1 n ASP 29 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3in1 s SER 30 N 0.04 -0.09 -0.35 -2.24 0.01 -1.26 -5.09 113.70 104.72 3in1 s SER 30 Ca 0.00 0.01 -0.00 0.00 1.31 0.00 0.00 55.95 57.27 3in1 s SER 30 Cb 0.00 0.29 0.14 0.00 0.21 0.00 0.00 66.02 66.66 3in1 s SER 30 CO 0.00 -0.35 0.20 -0.31 0.41 0.00 0.00 173.24 173.20 3in1 s TYR 31 N -1.10 0.72 -0.89 2.43 1.51 -1.26 -5.08 117.35 113.68 3in1 s TYR 31 Ca -0.12 -1.57 -0.25 0.00 -1.01 0.00 0.00 57.07 54.12 3in1 s TYR 31 Cb -0.06 -0.94 0.03 0.00 -0.11 0.00 0.00 41.96 40.87 3in1 s TYR 31 CO 0.02 -0.83 1.50 -1.25 -1.11 0.00 0.00 175.55 173.89 3in1 s PRO 32 N 1.15 3.26 0.74 -1.71 0.04 -1.26 -4.97 135.00 132.24 3in1 s PRO 32 Ca 0.17 -0.61 -0.11 0.00 0.04 0.00 0.00 61.00 60.48 3in1 s PRO 32 Cb -0.22 -4.90 0.03 0.00 0.04 0.00 0.00 34.50 29.45 3in1 s PRO 32 CO -0.03 -2.40 1.08 -0.51 0.04 0.00 0.00 177.00 175.19 3in1 s LEU 33 N 6.23 2.85 0.32 -3.56 1.43 -1.26 -4.97 118.68 119.72 3in1 s LEU 33 Ca 0.48 1.38 0.07 0.00 -1.03 0.00 0.00 54.13 55.02 3in1 s LEU 33 Cb -0.04 -4.13 0.55 0.00 0.03 0.00 0.00 46.19 42.60 3in1 s LEU 33 CO 0.01 -1.63 1.77 -0.08 0.23 0.00 0.00 176.35 176.65 3in1 h GLU 34 N -0.85 0.29 -1.81 1.70 4.81 -1.94 -3.45 114.58 113.33 3in1 h GLU 34 Ca -0.45 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 3in1 h GLU 34 Cb 1.24 -0.02 -0.22 0.00 0.63 0.00 0.00 28.75 30.39 3in1 h GLU 34 CO 0.59 0.55 0.32 0.50 -0.73 0.00 0.00 179.01 180.25 3in1 s ARG 35 N -4.40 0.78 -0.17 1.92 3.52 -1.26 -5.13 118.95 114.21 3in1 s ARG 35 Ca -0.05 0.48 -0.03 0.00 -0.13 0.00 0.00 55.73 56.00 3in1 s ARG 35 Cb 0.14 0.37 0.05 0.00 -1.56 0.00 0.00 34.95 33.96 3in1 s ARG 35 CO 0.76 -0.18 0.03 0.42 -0.81 0.00 0.00 175.30 175.52 3in1 s ILE 36 N -0.50 0.45 0.00 4.11 1.01 -1.26 -4.88 121.20 120.13 3in1 s ILE 36 Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.20 3in1 s ILE 36 Cb -0.02 -0.92 0.00 0.00 0.01 0.00 0.00 42.46 41.53 3in1 s ILE 36 CO 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 174.94 174.82 3in1 n ALA 37 N 5.08 0.00 0.00 9.38 0.00 -1.26 -5.13 120.51 128.58 3in1 n ALA 37 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3in1 n ALA 37 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3in1 n ALA 37 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3in1 n THR 39 N 0.00 0.00 -2.16 0.00 -1.04 -0.25 -4.41 114.28 106.41 3in1 n THR 39 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 3in1 n THR 39 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3in1 n THR 39 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3in1 s THR 40 N -1.09 3.52 0.35 12.58 -4.23 -1.26 0.74 115.64 126.25 3in1 s THR 40 Ca 0.00 0.83 -0.09 0.00 -1.18 0.00 0.00 61.69 61.25 3in1 s THR 40 Cb 0.00 -3.32 0.04 0.00 1.34 0.00 0.00 72.50 70.56 3in1 s THR 40 CO 0.00 -0.32 0.63 0.61 -0.54 0.00 0.00 174.62 175.00 3in1 n GLY 41 N -0.41 1.48 0.00 3.99 0.00 -0.13 -4.67 105.19 105.46 3in1 n GLY 41 Ca 0.10 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3in1 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3in1 n GLY 42 N -0.51 2.48 0.11 -0.02 0.00 -1.26 -2.32 105.19 103.66 3in1 n GLY 42 Ca -0.05 -1.67 -0.08 0.00 0.00 0.00 0.00 46.02 44.21 3in1 n GLY 42 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3in1 h ASP 43 N 0.00 -0.07 -0.34 1.61 3.32 -1.87 -1.89 116.42 117.18 3in1 h ASP 43 Ca 0.00 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.12 3in1 h ASP 43 Cb 0.00 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 3in1 h ASP 43 CO 0.00 -0.01 0.17 0.00 -1.72 0.00 0.00 179.24 177.68 3in1 h ALA 44 N 1.18 0.41 -0.32 3.45 0.00 -1.78 -1.17 119.26 121.02 3in1 h ALA 44 Ca 0.10 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3in1 h ALA 44 Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3in1 h ALA 44 CO -0.16 -0.20 0.05 0.82 0.00 0.00 0.00 179.25 179.75 3in1 h ILE 45 N 0.35 1.24 -0.56 0.00 2.04 -1.76 -1.36 117.51 117.46 3in1 h ILE 45 Ca 0.14 -0.83 0.03 0.00 1.00 0.00 0.00 64.86 65.19 3in1 h ILE 45 Cb 0.05 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 3in1 h ILE 45 CO -0.10 0.27 0.34 0.78 0.00 0.00 0.00 178.15 179.45 3in1 h ASN 46 N 0.36 0.55 -0.01 1.72 2.35 -1.15 -0.33 115.58 119.08 3in1 h ASN 46 Ca 0.10 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3in1 h ASN 46 Cb 0.36 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 3in1 h ASN 46 CO 0.01 0.39 0.00 -0.33 -1.65 0.00 0.00 177.43 175.85 3in1 h GLU 47 N 0.67 0.01 -0.79 0.81 5.08 -1.11 -0.84 114.58 118.42 3in1 h GLU 47 Ca 0.23 -0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.70 3in1 h GLU 47 Cb 0.02 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.19 3in1 h GLU 47 CO -0.10 0.31 0.41 0.00 -1.00 0.00 0.00 179.01 178.63 3in1 h ALA 48 N 0.70 1.14 0.25 3.43 0.00 -1.10 0.33 119.26 124.02 3in1 h ALA 48 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3in1 h ALA 48 Cb 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3in1 h ALA 48 CO 0.00 -0.04 -0.12 1.15 0.00 0.00 0.00 179.25 180.24 3in1 h THR 49 N 0.64 0.79 -0.47 0.00 2.02 -0.87 -1.33 112.91 113.69 3in1 h THR 49 Ca 0.41 -0.26 -0.14 0.00 0.77 0.00 0.00 66.41 67.19 3in1 h THR 49 Cb 0.49 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3in1 h THR 49 CO -0.31 0.06 -0.25 0.40 0.37 0.00 0.00 175.52 175.79 3in1 h ILE 50 N -0.47 1.27 -0.66 3.11 1.08 -0.67 -1.51 117.51 119.65 3in1 h ILE 50 Ca -0.03 -1.42 -0.00 0.00 -0.39 0.00 0.00 64.86 63.01 3in1 h ILE 50 Cb 0.36 1.17 -0.03 0.00 -3.07 0.00 0.00 36.82 35.24 3in1 h ILE 50 CO 0.06 0.49 0.40 0.40 -0.69 0.00 0.00 178.15 178.80 3in1 h ILE 51 N 0.84 1.19 -0.36 -0.67 2.04 -0.35 -0.32 117.51 119.87 3in1 h ILE 51 Ca 0.10 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.48 3in1 h ILE 51 Cb 0.83 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3in1 h ILE 51 CO 0.07 0.20 -0.02 0.28 0.00 0.00 0.00 178.15 178.67 3in1 h SER 52 N 0.91 0.65 0.58 1.72 0.02 -0.89 -2.26 113.55 114.27 3in1 h SER 52 Ca 0.24 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 3in1 h SER 52 Cb -0.03 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 3in1 h SER 52 CO -0.04 0.82 -0.16 0.03 -1.14 0.00 0.00 176.83 176.34 3in1 h ARG 53 N 0.47 0.00 -0.00 3.45 3.08 -0.73 -1.77 114.38 118.88 3in1 h ARG 53 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3in1 h ARG 53 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3in1 h ARG 53 CO 0.02 0.16 -0.00 1.28 -1.07 0.00 0.00 179.97 180.36 3in1 n LEU 54 N -3.53 0.10 0.00 3.04 4.77 -0.18 -3.55 117.00 117.65 3in1 n LEU 54 Ca -0.01 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3in1 n LEU 54 Cb 0.31 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3in1 n LEU 54 CO 0.31 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3in1 n GLY 55 N 1.08 1.06 3.16 -0.72 0.00 -0.66 -4.90 105.19 104.20 3in1 n GLY 55 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 3in1 n GLY 55 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3in1 s HIS 56 N -2.00 2.52 0.08 1.61 3.76 -0.89 -5.03 115.29 115.33 3in1 s HIS 56 Ca 0.00 -1.20 -0.31 0.00 -0.15 0.00 0.00 55.06 53.40 3in1 s HIS 56 Cb 0.00 -1.72 -0.07 0.00 1.11 0.00 0.00 32.58 31.90 3in1 s HIS 56 CO 0.00 -0.54 1.44 0.50 -0.85 0.00 0.00 174.74 175.29 3in1 s ARG 57 N 0.73 4.29 0.08 1.40 3.52 -1.26 -3.53 118.95 124.18 3in1 s ARG 57 Ca -0.10 2.10 0.06 0.00 -0.13 0.00 0.00 55.73 57.67 3in1 s ARG 57 Cb -0.16 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.82 3in1 s ARG 57 CO 0.01 -0.53 -0.17 0.99 -0.81 0.00 0.00 175.30 174.79 3in1 s THR 58 N 1.66 1.38 0.01 4.11 2.01 -1.26 -1.09 115.64 122.46 3in1 s THR 58 Ca 0.66 -1.40 0.08 0.00 0.31 0.00 0.00 61.69 61.35 3in1 s THR 58 Cb -0.36 -1.29 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 3in1 s THR 58 CO 0.30 -0.14 -0.25 0.00 -0.69 0.00 0.00 174.62 173.84 3in1 s ALA 59 N -1.20 2.26 0.00 7.40 0.00 -0.13 -1.19 121.76 128.90 3in1 s ALA 59 Ca 0.02 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.81 3in1 s ALA 59 Cb -0.10 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.46 3in1 s ALA 59 CO 0.03 0.54 0.00 -0.11 0.00 0.00 0.00 175.76 176.22 3in1 n LEU 60 N 2.12 0.00 0.00 0.00 7.94 -0.75 -1.03 117.00 125.29 3in1 n LEU 60 Ca -0.16 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.74 3in1 n LEU 60 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 3in1 n LEU 60 CO 0.23 -0.23 0.00 -0.24 -1.11 0.00 0.00 177.39 176.04 3in1 n SER 62 N -1.82 0.00 -3.69 1.96 2.88 -1.15 -3.39 113.62 108.42 3in1 n SER 62 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 3in1 n SER 62 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 3in1 n SER 62 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 3in1 s ARG 63 N -0.89 0.13 0.52 -1.46 3.52 -1.26 -2.09 118.95 117.41 3in1 s ARG 63 Ca 0.00 0.61 0.01 0.00 -0.13 0.00 0.00 55.73 56.21 3in1 s ARG 63 Cb 0.00 -0.13 -0.00 0.00 -1.56 0.00 0.00 34.95 33.26 3in1 s ARG 63 CO 0.00 -0.25 0.02 0.96 -0.81 0.00 0.00 175.30 175.22 3in1 s ILE 64 N 1.96 0.95 0.49 4.11 -4.36 -0.12 -4.80 121.20 119.44 3in1 s ILE 64 Ca -0.02 -2.00 -0.09 0.00 -0.26 0.00 0.00 60.65 58.28 3in1 s ILE 64 Cb -0.12 -2.05 -0.05 0.00 1.25 0.00 0.00 42.46 41.50 3in1 s ILE 64 CO -0.08 0.00 0.85 -0.83 0.24 0.00 0.00 174.94 175.13 3in1 s GLY 65 N -3.87 1.71 -1.26 6.27 0.00 -1.26 -0.23 107.32 108.68 3in1 s GLY 65 Ca 0.03 -0.26 -0.05 0.00 0.00 0.00 0.00 44.72 44.44 3in1 s GLY 65 CO 0.02 -0.06 2.20 1.17 0.00 0.00 0.00 173.10 176.43 3in1 n LYS 66 N -2.04 4.61 -2.90 2.90 4.81 -0.48 -4.21 118.16 120.85 3in1 n LYS 66 Ca 0.03 -3.71 -0.10 0.00 -0.87 0.00 0.00 58.31 53.66 3in1 n LYS 66 Cb 0.54 -2.64 -0.02 0.00 0.02 0.00 0.00 35.03 32.93 3in1 n LYS 66 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3in1 n ASP 67 N 1.69 1.89 -0.20 3.14 5.68 -1.26 -4.90 116.55 122.59 3in1 n ASP 67 Ca 0.56 -1.77 -0.07 0.00 -0.50 0.00 0.00 54.79 53.00 3in1 n ASP 67 Cb 0.27 0.22 0.03 0.00 -1.14 0.00 0.00 41.12 40.50 3in1 n ASP 67 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3in1 h ALA 68 N 1.15 0.74 -0.57 2.12 0.00 -2.00 -1.99 119.26 118.71 3in1 h ALA 68 Ca -0.13 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.66 3in1 h ALA 68 Cb 0.44 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3in1 h ALA 68 CO 0.22 0.31 0.36 0.00 0.00 0.00 0.00 179.25 180.13 3in1 h ALA 69 N 1.11 0.73 -0.13 0.00 0.00 -1.95 -1.53 119.26 117.49 3in1 h ALA 69 Ca 0.20 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3in1 h ALA 69 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3in1 h ALA 69 CO -0.02 0.10 0.04 0.78 0.00 0.00 0.00 179.25 180.15 3in1 h GLY 70 N 0.71 0.15 0.69 0.00 0.00 -1.65 -1.82 103.07 101.16 3in1 h GLY 70 Ca 0.22 -0.02 0.10 0.00 0.00 0.00 0.00 47.33 47.63 3in1 h GLY 70 CO -0.08 0.01 0.58 -1.61 0.00 0.00 0.00 176.54 175.45 3in1 h GLN 71 N 0.10 0.87 -0.57 4.80 5.75 -1.02 -0.69 115.11 124.35 3in1 h GLN 71 Ca 0.05 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.52 3in1 h GLN 71 Cb 0.04 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.36 3in1 h GLN 71 CO -0.06 0.58 0.37 0.35 -2.65 0.00 0.00 178.83 177.41 3in1 h PHE 72 N 0.90 0.69 -0.60 3.99 3.57 -0.49 0.12 116.94 125.12 3in1 h PHE 72 Ca 0.42 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.90 3in1 h PHE 72 Cb 0.42 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 3in1 h PHE 72 CO -0.00 0.42 0.24 0.82 -2.23 0.00 0.00 178.31 177.55 3in1 h ILE 73 N 0.74 1.23 -0.35 1.41 2.04 -0.49 -1.30 117.51 120.78 3in1 h ILE 73 Ca 0.22 -0.73 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 3in1 h ILE 73 Cb -0.05 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 3in1 h ILE 73 CO -0.07 0.28 0.02 -0.07 0.00 0.00 0.00 178.15 178.32 3in1 h LEU 74 N 0.84 0.50 -0.61 1.44 3.38 -0.65 -0.52 115.31 119.69 3in1 h LEU 74 Ca 0.20 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 3in1 h LEU 74 Cb 0.21 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3in1 h LEU 74 CO -0.02 0.56 -0.21 0.44 0.09 0.00 0.00 178.44 179.31 3in1 h ASP 75 N 0.52 0.89 -0.34 -0.43 3.32 -0.17 -1.91 116.42 118.30 3in1 h ASP 75 Ca 0.11 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 56.79 3in1 h ASP 75 Cb 0.31 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3in1 h ASP 75 CO 0.01 1.07 0.04 -0.74 -1.72 0.00 0.00 179.24 177.90 3in1 h HIS 76 N 0.76 0.62 0.06 4.55 2.76 -0.58 -2.52 115.15 120.80 3in1 h HIS 76 Ca 0.10 -0.09 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3in1 h HIS 76 Cb 0.75 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.54 3in1 h HIS 76 CO 0.04 0.66 -0.03 0.00 -1.30 0.00 0.00 177.93 177.30 3in1 h ARG 78 N -0.11 0.54 -0.62 0.00 3.08 -1.35 0.29 114.38 116.22 3in1 h ARG 78 Ca -0.01 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3in1 h ARG 78 Cb 0.09 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3in1 h ARG 78 CO 0.01 0.36 0.28 -0.22 -1.07 0.00 0.00 179.97 179.34 3in1 h LYS 79 N 0.56 0.88 -0.04 0.04 1.63 -1.24 -2.17 116.57 116.23 3in1 h LYS 79 Ca 0.33 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 3in1 h LYS 79 Cb 0.35 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 3in1 h LYS 79 CO -0.27 0.69 0.00 0.39 -3.45 0.00 0.00 179.45 176.81 3in1 n GLU 80 N -4.34 1.52 -2.60 1.90 -0.58 -0.32 -4.92 120.64 111.30 3in1 n GLU 80 Ca 0.06 -0.76 -0.15 0.00 -0.42 0.00 0.00 57.16 55.89 3in1 n GLU 80 Cb 0.14 -1.45 0.01 0.00 -0.57 0.00 0.00 31.44 29.57 3in1 n GLU 80 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3in1 n ASN 81 N -0.07 -4.64 -4.74 1.62 3.02 -0.08 -4.83 115.26 105.55 3in1 n ASN 81 Ca 0.19 -0.13 -0.39 0.00 -0.03 0.00 0.00 54.58 54.22 3in1 n ASN 81 Cb 0.29 -3.61 -0.05 0.00 -0.61 0.00 0.00 39.78 35.79 3in1 n ASN 81 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3in1 s ILE 82 N -2.89 5.01 -0.03 2.41 1.01 -0.24 -4.67 121.20 121.79 3in1 s ILE 82 Ca 0.13 1.22 -0.30 0.00 0.00 0.00 0.00 60.65 61.71 3in1 s ILE 82 Cb -0.06 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 3in1 s ILE 82 CO 0.17 0.36 1.42 -0.62 0.00 0.00 0.00 174.94 176.26 3in1 s ASP 83 N 0.24 6.84 -0.17 3.58 3.68 -0.33 -4.40 116.67 126.11 3in1 s ASP 83 Ca 0.31 2.07 0.17 0.00 2.13 0.00 0.00 52.55 57.23 3in1 s ASP 83 Cb -0.17 -2.55 0.47 0.00 -1.45 0.00 0.00 42.92 39.22 3in1 s ASP 83 CO 0.16 -0.76 1.36 2.30 0.13 0.00 0.00 175.17 178.36 3in1 n ILE 84 N 4.89 2.20 -0.31 4.11 -5.35 -1.26 -1.80 119.36 121.84 3in1 n ILE 84 Ca 0.14 -2.00 0.02 0.00 -0.27 0.00 0.00 62.75 60.64 3in1 n ILE 84 Cb 0.44 -0.25 0.15 0.00 -1.74 0.00 0.00 39.64 38.24 3in1 n ILE 84 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 3in1 h GLN 85 N 1.36 0.89 -0.53 6.28 4.20 -1.91 -1.78 115.11 123.63 3in1 h GLN 85 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3in1 h GLN 85 Cb 1.35 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.93 3in1 h GLN 85 CO 0.17 0.59 0.00 0.43 -0.67 0.00 0.00 178.83 179.35 3in1 n SER 86 N -4.66 2.84 -4.30 1.46 7.64 -1.26 -4.69 113.62 110.65 3in1 n SER 86 Ca 0.13 -2.05 -0.45 0.00 1.01 0.00 0.00 58.87 57.51 3in1 n SER 86 Cb 0.22 -0.36 -0.03 0.00 -1.01 0.00 0.00 64.21 63.03 3in1 n SER 86 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3in1 s LEU 87 N -1.07 6.47 0.45 -3.43 2.96 -0.67 -2.92 118.68 120.47 3in1 s LEU 87 Ca 0.34 -2.94 -0.20 0.00 -0.22 0.00 0.00 54.13 51.11 3in1 s LEU 87 Cb 0.19 -2.16 -0.10 0.00 0.50 0.00 0.00 46.19 44.61 3in1 s LEU 87 CO 0.22 -0.48 0.96 -0.54 -1.32 0.00 0.00 176.35 175.20 3in1 s LYS 88 N -0.22 4.16 -0.12 1.98 -0.14 -0.89 -4.90 119.74 119.61 3in1 s LYS 88 Ca 0.21 1.12 -0.04 0.00 -1.36 0.00 0.00 55.97 55.89 3in1 s LYS 88 Cb -0.11 -2.17 -0.04 0.00 -1.68 0.00 0.00 37.83 33.84 3in1 s LYS 88 CO -0.08 -0.09 0.03 -0.65 -0.76 0.00 0.00 175.35 173.80 3in1 s GLN 89 N -3.30 3.39 -0.13 1.68 -0.21 -1.26 -0.95 119.66 118.88 3in1 s GLN 89 Ca 0.62 -0.36 0.02 0.00 0.02 0.00 0.00 55.36 55.66 3in1 s GLN 89 Cb -0.10 -2.98 0.01 0.00 1.00 0.00 0.00 33.01 30.95 3in1 s GLN 89 CO 0.16 0.55 -0.18 0.34 -2.12 0.00 0.00 175.29 174.04 3in1 s ASP 90 N -0.44 2.79 0.44 5.90 -1.08 0.68 -4.78 116.67 120.18 3in1 s ASP 90 Ca 0.09 -0.52 0.18 0.00 -0.52 0.00 0.00 52.55 51.77 3in1 s ASP 90 Cb -0.12 -1.27 1.01 0.00 -1.46 0.00 0.00 42.92 41.08 3in1 s ASP 90 CO 0.02 0.03 1.94 1.62 0.52 0.00 0.00 175.17 179.31 3in1 h VAL 91 N 5.91 1.01 -0.00 1.11 3.04 -1.90 -1.25 116.25 124.17 3in1 h VAL 91 Ca -0.33 -0.86 0.00 0.00 -1.01 0.00 0.00 66.70 64.49 3in1 h VAL 91 Cb 1.17 1.49 0.00 0.00 -2.01 0.00 0.00 31.29 31.94 3in1 h VAL 91 CO 0.53 0.23 -0.05 -1.54 -1.01 0.00 0.00 177.57 175.73 3in1 n SER 92 N -4.02 0.26 -4.32 3.17 3.41 -1.26 -4.77 113.62 106.09 3in1 n SER 92 Ca -0.02 -0.52 -0.22 0.00 -0.26 0.00 0.00 58.87 57.84 3in1 n SER 92 Cb 0.31 -0.13 -0.11 0.00 -0.26 0.00 0.00 64.21 64.01 3in1 n SER 92 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3in1 s ILE 93 N -2.41 1.80 -0.17 -1.33 -4.36 -1.16 -5.12 121.20 108.45 3in1 s ILE 93 Ca 0.32 -1.84 -0.13 0.00 -0.26 0.00 0.00 60.65 58.75 3in1 s ILE 93 Cb 0.20 -1.78 -0.05 0.00 1.25 0.00 0.00 42.46 42.08 3in1 s ILE 93 CO 0.45 -0.26 0.24 -1.81 0.24 0.00 0.00 174.94 173.80 3in1 s ASP 94 N -2.50 6.38 0.21 4.36 1.01 -1.26 -4.11 116.67 120.76 3in1 s ASP 94 Ca 0.14 0.44 -0.31 0.00 0.71 0.00 0.00 52.55 53.53 3in1 s ASP 94 Cb -0.07 -2.15 -0.10 0.00 1.01 0.00 0.00 42.92 41.61 3in1 s ASP 94 CO 0.06 0.14 1.50 -0.89 0.21 0.00 0.00 175.17 176.19 3in1 s THR 95 N 0.36 2.62 0.26 -1.27 2.01 -1.26 -1.27 115.64 117.09 3in1 s THR 95 Ca 0.14 0.49 -0.30 0.00 0.31 0.00 0.00 61.69 62.32 3in1 s THR 95 Cb -0.12 -3.31 -0.11 0.00 0.01 0.00 0.00 72.50 68.97 3in1 s THR 95 CO 0.02 0.06 1.56 -0.44 -0.69 0.00 0.00 174.62 175.13 3in1 s SER 96 N 0.70 6.48 -0.15 3.53 0.01 -1.26 -4.75 113.70 118.27 3in1 s SER 96 Ca 0.64 2.82 0.00 0.00 1.31 0.00 0.00 55.95 60.72 3in1 s SER 96 Cb -0.43 -2.62 0.03 0.00 0.21 0.00 0.00 66.02 63.21 3in1 s SER 96 CO 0.38 -0.84 -0.11 -0.63 0.41 0.00 0.00 173.24 172.45 3in1 s ILE 97 N 0.25 1.41 -0.23 1.44 1.01 -1.26 -2.30 121.20 121.51 3in1 s ILE 97 Ca 0.64 -0.63 -0.10 0.00 0.00 0.00 0.00 60.65 60.56 3in1 s ILE 97 Cb -0.46 -1.40 -0.05 0.00 0.01 0.00 0.00 42.46 40.56 3in1 s ILE 97 CO 0.43 0.34 0.14 0.20 0.00 0.00 0.00 174.94 176.05 3in1 s ASN 98 N 1.54 6.04 -0.27 3.58 0.01 -0.26 -4.36 114.94 121.21 3in1 s ASN 98 Ca 0.03 0.11 -0.11 0.00 -0.71 0.00 0.00 52.86 52.19 3in1 s ASN 98 Cb -0.14 -2.08 -0.05 0.00 0.41 0.00 0.00 41.25 39.39 3in1 s ASN 98 CO -0.09 0.09 0.18 -0.69 -1.51 0.00 0.00 177.10 175.07 3in1 s VAL 99 N 0.91 5.25 -0.24 1.60 1.01 -0.73 -0.97 120.40 127.22 3in1 s VAL 99 Ca 0.07 0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.13 3in1 s VAL 99 Cb -0.13 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 3in1 s VAL 99 CO 0.03 0.26 0.07 -0.83 0.00 0.00 0.00 175.10 174.63 3in1 s GLY 100 N 1.69 1.77 -0.19 4.51 0.00 -0.45 -1.20 107.32 113.45 3in1 s GLY 100 Ca 0.07 -1.09 -0.07 0.00 0.00 0.00 0.00 44.72 43.63 3in1 s GLY 100 CO 0.10 0.48 0.05 1.08 0.00 0.00 0.00 173.10 174.81 3in1 s LEU 101 N 1.48 3.71 -0.05 0.66 1.43 -0.34 0.80 118.68 126.36 3in1 s LEU 101 Ca 0.06 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 3in1 s LEU 101 Cb -0.15 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.14 3in1 s LEU 101 CO 0.03 0.15 -0.11 -0.69 0.23 0.00 0.00 176.35 175.96 3in1 s VAL 102 N 0.53 1.01 0.58 -1.59 1.01 -0.82 -1.61 120.40 119.52 3in1 s VAL 102 Ca 0.02 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.43 3in1 s VAL 102 Cb -0.13 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 3in1 s VAL 102 CO 0.01 0.32 1.02 -0.89 0.00 0.00 0.00 175.10 175.56 3in1 s THR 103 N 0.45 4.52 0.57 3.92 2.01 0.30 -2.15 115.64 125.26 3in1 s THR 103 Ca -0.09 1.00 0.34 0.00 0.31 0.00 0.00 61.69 63.25 3in1 s THR 103 Cb -0.13 -3.73 0.34 0.00 0.01 0.00 0.00 72.50 68.99 3in1 s THR 103 CO 0.02 -0.89 2.04 -0.08 -0.69 0.00 0.00 174.62 175.02 3in1 h GLU 104 N 0.22 0.00 -1.41 4.92 4.81 -1.89 -3.11 114.58 118.13 3in1 h GLU 104 Ca -0.45 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 58.32 3in1 h GLU 104 Cb 1.19 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.16 3in1 h GLU 104 CO 0.61 0.00 -1.03 -0.40 -0.73 0.00 0.00 179.01 177.46 3in1 n ASP 105 N -2.87 2.46 0.00 1.04 5.75 -1.26 -5.04 116.55 116.63 3in1 n ASP 105 Ca -0.02 -3.11 0.00 0.00 -0.01 0.00 0.00 54.79 51.65 3in1 n ASP 105 Cb 0.24 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 3in1 n ASP 105 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3in1 n GLY 106 N -0.13 2.35 3.50 6.12 0.00 -1.18 -5.08 105.19 110.77 3in1 n GLY 106 Ca 0.21 -0.75 -0.57 0.00 0.00 0.00 0.00 46.02 44.91 3in1 n GLY 106 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3in1 n GLU 107 N 0.00 0.10 -4.52 1.61 -0.58 -1.26 -4.62 120.64 111.37 3in1 n GLU 107 Ca 0.00 0.04 -0.21 0.00 -0.42 0.00 0.00 57.16 56.56 3in1 n GLU 107 Cb 0.00 -1.50 -0.15 0.00 -0.57 0.00 0.00 31.44 29.21 3in1 n GLU 107 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3in1 s ARG 108 N -0.06 1.07 0.02 3.49 0.52 -1.26 -0.54 118.95 122.18 3in1 s ARG 108 Ca 0.88 -0.40 -0.06 0.00 -0.52 0.00 0.00 55.73 55.63 3in1 s ARG 108 Cb -1.21 -1.00 -0.01 0.00 0.52 0.00 0.00 34.95 33.25 3in1 s ARG 108 CO 0.56 0.20 0.10 -0.08 0.02 0.00 0.00 175.30 176.10 3in1 s THR 109 N -0.06 0.10 -0.05 0.02 -1.32 -0.63 -5.01 115.64 108.69 3in1 s THR 109 Ca 0.01 -0.84 0.03 0.00 -1.21 0.00 0.00 61.69 59.68 3in1 s THR 109 Cb -0.07 -0.52 0.00 0.00 -1.51 0.00 0.00 72.50 70.40 3in1 s THR 109 CO 0.00 -0.46 -0.14 -0.36 -2.21 0.00 0.00 174.62 171.45 3in1 s PHE 110 N -1.72 1.52 -0.21 9.09 0.08 -1.26 -1.20 117.98 124.27 3in1 s PHE 110 Ca -0.12 -0.49 -0.09 0.00 0.12 0.00 0.00 56.93 56.34 3in1 s PHE 110 Cb -0.06 -1.07 -0.05 0.00 -0.57 0.00 0.00 43.02 41.27 3in1 s PHE 110 CO -0.00 -0.21 0.12 0.08 -0.10 0.00 0.00 175.22 175.10 3in1 s VAL 111 N 0.33 5.16 0.36 -0.44 1.01 -0.34 -4.97 120.40 121.52 3in1 s VAL 111 Ca -0.09 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.03 3in1 s VAL 111 Cb -0.13 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 3in1 s VAL 111 CO 0.03 0.41 0.07 0.42 0.00 0.00 0.00 175.10 176.03 3in1 s THR 112 N 0.69 1.04 -0.47 3.92 -4.23 -1.26 -1.78 115.64 113.55 3in1 s THR 112 Ca 0.06 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.48 3in1 s THR 112 Cb -0.12 -2.65 0.12 0.00 1.34 0.00 0.00 72.50 71.18 3in1 s THR 112 CO 0.01 0.00 0.34 0.21 -0.54 0.00 0.00 174.62 174.64 3in1 s ASN 113 N -3.54 5.68 0.34 3.99 3.84 -1.26 -4.94 114.94 119.06 3in1 s ASN 113 Ca 0.32 -1.92 0.20 0.00 0.21 0.00 0.00 52.86 51.67 3in1 s ASN 113 Cb 0.07 -2.00 1.09 0.00 -0.55 0.00 0.00 41.25 39.85 3in1 s ASN 113 CO 0.15 -0.69 1.58 0.08 -2.79 0.00 0.00 177.10 175.43 3in1 h ARG 114 N 8.43 0.00 -0.32 0.43 0.11 -1.99 0.20 114.38 121.24 3in1 h ARG 114 Ca -0.21 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.87 3in1 h ARG 114 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 3in1 h ARG 114 CO 0.85 0.00 0.00 0.09 0.10 0.00 0.00 179.97 181.01 3in1 n ASN 115 N -2.24 3.01 -4.63 0.08 3.02 -1.26 -4.86 115.26 108.38 3in1 n ASN 115 Ca -0.01 -2.13 -0.29 0.00 -0.03 0.00 0.00 54.58 52.12 3in1 n ASN 115 Cb 0.13 -0.26 0.19 0.00 -0.61 0.00 0.00 39.78 39.22 3in1 n ASN 115 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3in1 s GLY 116 N -1.12 1.60 0.43 7.41 0.00 0.06 -4.71 107.32 110.98 3in1 s GLY 116 Ca 0.25 -0.02 0.18 0.00 0.00 0.00 0.00 44.72 45.13 3in1 s GLY 116 CO 0.14 0.55 1.87 1.48 0.00 0.00 0.00 173.10 177.14 3in1 h SER 117 N -2.01 0.37 -0.87 1.64 4.64 -1.48 0.00 113.55 115.84 3in1 h SER 117 Ca -0.53 0.04 0.11 0.00 -0.47 0.00 0.00 61.79 60.94 3in1 h SER 117 Cb 1.30 -0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 63.28 3in1 h SER 117 CO 0.52 0.15 0.50 0.25 -0.87 0.00 0.00 176.83 177.38 3in1 h LEU 118 N 0.37 0.71 -0.69 5.97 6.46 -1.87 -0.68 115.31 125.59 3in1 h LEU 118 Ca 0.45 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 58.27 3in1 h LEU 118 Cb 1.17 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.03 3in1 h LEU 118 CO -0.16 0.37 0.00 -0.50 -0.62 0.00 0.00 178.44 177.54 3in1 h TRP 119 N 0.80 0.00 0.00 1.25 4.06 -1.32 -3.26 115.95 117.48 3in1 h TRP 119 Ca 0.44 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.39 3in1 h TRP 119 Cb 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.62 3in1 h TRP 119 CO -0.05 0.00 -0.63 0.87 -3.56 0.00 0.00 178.44 175.07 3in1 h LYS 120 N 0.00 0.00 -6.55 0.49 1.79 -1.01 -3.42 116.57 107.87 3in1 h LYS 120 Ca 0.00 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.90 3in1 h LYS 120 Cb 0.72 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.43 3in1 h LYS 120 CO 0.00 0.00 0.78 -0.11 -1.08 0.00 0.00 179.45 179.04 3in1 n LEU 121 N -2.25 3.25 -4.06 2.94 7.94 -1.05 -4.97 117.00 118.79 3in1 n LEU 121 Ca 0.03 1.10 -0.13 0.00 -1.11 0.00 0.00 56.01 55.89 3in1 n LEU 121 Cb 0.46 -1.45 -0.04 0.00 0.53 0.00 0.00 43.42 42.92 3in1 n LEU 121 CO 0.37 -0.26 0.15 0.54 -1.11 0.00 0.00 177.39 177.07 3in1 s ASN 122 N 0.78 0.66 0.55 1.96 2.20 -1.26 -4.18 114.94 115.64 3in1 s ASN 122 Ca 0.75 -1.37 0.26 0.00 -0.94 0.00 0.00 52.86 51.56 3in1 s ASN 122 Cb -0.65 0.65 1.45 0.00 -2.00 0.00 0.00 41.25 40.70 3in1 s ASN 122 CO 0.40 -1.27 2.02 -0.29 -2.94 0.00 0.00 177.10 175.03 3in1 h ILE 123 N 2.15 0.67 0.00 0.54 2.10 -1.94 -0.81 117.51 120.22 3in1 h ILE 123 Ca -0.28 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.66 3in1 h ILE 123 Cb 1.24 0.77 0.00 0.00 -1.09 0.00 0.00 36.82 37.74 3in1 h ILE 123 CO 0.39 0.00 0.00 0.44 -1.08 0.00 0.00 178.15 177.90 3in1 h ASP 124 N 0.00 0.00 0.08 2.19 3.32 -1.98 -0.56 116.42 119.48 3in1 h ASP 124 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3in1 h ASP 124 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 3in1 h ASP 124 CO -0.00 0.00 -0.03 0.47 -1.72 0.00 0.00 179.24 177.96 3in1 n ASP 125 N -2.59 0.68 -4.60 6.45 8.00 -0.31 -4.76 116.55 119.42 3in1 n ASP 125 Ca -0.00 -1.08 -0.37 0.00 0.71 0.00 0.00 54.79 54.05 3in1 n ASP 125 Cb 0.17 -0.02 -0.11 0.00 -0.02 0.00 0.00 41.12 41.14 3in1 n ASP 125 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3in1 s VAL 126 N -2.12 5.13 -0.70 2.53 1.01 -0.22 -4.53 120.40 121.50 3in1 s VAL 126 Ca 0.39 0.10 -0.15 0.00 0.00 0.00 0.00 61.98 62.32 3in1 s VAL 126 Cb 0.21 -3.41 0.17 0.00 0.00 0.00 0.00 36.38 33.35 3in1 s VAL 126 CO 0.38 0.32 0.68 -0.62 0.00 0.00 0.00 175.10 175.86 3in1 s ASP 127 N 1.33 6.49 0.55 3.32 -1.08 -1.26 -4.91 116.67 121.11 3in1 s ASP 127 Ca 0.07 -2.20 0.37 0.00 -0.52 0.00 0.00 52.55 50.26 3in1 s ASP 127 Cb -0.15 -2.23 1.95 0.00 -1.46 0.00 0.00 42.92 41.04 3in1 s ASP 127 CO 0.06 -0.76 2.13 -0.26 0.52 0.00 0.00 175.17 176.86 3in1 h PHE 128 N 8.38 0.00 -0.39 -5.34 0.04 -1.96 -2.63 116.94 115.04 3in1 h PHE 128 Ca -0.08 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.64 3in1 h PHE 128 Cb 1.07 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.20 3in1 h PHE 128 CO 0.91 0.00 0.03 0.00 -0.60 0.00 0.00 178.31 178.65 3in1 h ALA 129 N 2.01 1.33 0.00 2.45 0.00 -2.01 -2.65 119.26 120.39 3in1 h ALA 129 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3in1 h ALA 129 Cb 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3in1 h ALA 129 CO 0.00 0.46 -0.04 0.54 0.00 0.00 0.00 179.25 180.21 3in1 n ARG 130 N -4.28 0.01 0.25 0.00 1.74 -0.99 -3.86 116.66 109.53 3in1 n ARG 130 Ca 0.02 0.01 0.18 0.00 -0.77 0.00 0.00 57.85 57.29 3in1 n ARG 130 Cb 0.24 -1.51 0.90 0.00 -1.02 0.00 0.00 32.46 31.06 3in1 n ARG 130 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 3in1 h PHE 131 N 0.00 0.00 -0.00 -1.55 -1.00 -1.60 0.12 116.94 112.91 3in1 h PHE 131 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3in1 h PHE 131 Cb 0.51 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.07 3in1 h PHE 131 CO 0.00 0.00 -0.04 -1.13 -1.61 0.00 0.00 178.31 175.53 3in1 n SER 132 N -3.47 0.16 -0.17 2.17 3.41 -1.25 -3.40 113.62 111.08 3in1 n SER 132 Ca 0.00 -0.30 0.12 0.00 -0.26 0.00 0.00 58.87 58.43 3in1 n SER 132 Cb 0.31 -0.20 0.20 0.00 -0.26 0.00 0.00 64.21 64.25 3in1 n SER 132 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3in1 n GLN 133 N -1.18 0.49 -4.35 4.33 6.02 0.43 -4.96 117.38 118.17 3in1 n GLN 133 Ca 0.14 -0.33 -0.18 0.00 -0.01 0.00 0.00 57.00 56.62 3in1 n GLN 133 Cb 0.25 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 29.92 3in1 n GLN 133 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3in1 s ALA 134 N -2.74 1.92 -0.16 -1.58 0.00 -1.22 -4.23 121.76 113.76 3in1 s ALA 134 Ca 0.16 -1.76 0.14 0.00 0.00 0.00 0.00 51.96 50.51 3in1 s ALA 134 Cb 0.18 0.30 -0.24 0.00 0.00 0.00 0.00 23.12 23.36 3in1 s ALA 134 CO 0.64 -0.16 0.20 1.63 0.00 0.00 0.00 175.76 178.08 3in1 n LYS 135 N -0.43 0.67 -4.49 0.00 5.02 -1.08 -4.97 118.16 112.89 3in1 n LYS 135 Ca -0.06 0.09 -0.20 0.00 -2.02 0.00 0.00 58.31 56.12 3in1 n LYS 135 Cb 0.63 -1.60 -0.15 0.00 -0.02 0.00 0.00 35.03 33.90 3in1 n LYS 135 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3in1 s LEU 136 N -5.79 2.02 -0.14 -0.35 0.20 -0.74 -0.87 118.68 113.02 3in1 s LEU 136 Ca -0.11 -0.20 -0.02 0.00 0.69 0.00 0.00 54.13 54.48 3in1 s LEU 136 Cb 0.07 -0.58 -0.02 0.00 -0.43 0.00 0.00 46.19 45.23 3in1 s LEU 136 CO 0.81 0.14 -0.06 -0.22 -0.29 0.00 0.00 176.35 176.72 3in1 s LEU 137 N -0.27 3.10 -0.22 -0.68 2.96 0.43 -0.80 118.68 123.20 3in1 s LEU 137 Ca 0.04 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 3in1 s LEU 137 Cb -0.04 -1.73 0.05 0.00 0.50 0.00 0.00 46.19 44.97 3in1 s LEU 137 CO -0.00 0.18 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.55 3in1 s SER 138 N 0.27 3.81 -0.61 3.68 0.15 0.21 -0.49 113.70 120.71 3in1 s SER 138 Ca -0.05 -1.08 -0.22 0.00 0.70 0.00 0.00 55.95 55.30 3in1 s SER 138 Cb -0.14 -1.37 0.07 0.00 -1.71 0.00 0.00 66.02 62.86 3in1 s SER 138 CO 0.04 -0.15 0.90 -0.22 1.20 0.00 0.00 173.24 175.00 3in1 s LEU 139 N 1.27 4.48 -1.03 3.45 2.96 -0.03 -0.89 118.68 128.89 3in1 s LEU 139 Ca -0.04 -0.88 -0.22 0.00 -0.22 0.00 0.00 54.13 52.77 3in1 s LEU 139 Cb -0.18 -2.50 -0.11 0.00 0.50 0.00 0.00 46.19 43.90 3in1 s LEU 139 CO -0.07 -1.30 1.92 0.00 -1.32 0.00 0.00 176.35 175.58 3in1 n ALA 140 N 7.35 2.40 -0.81 5.97 0.00 0.21 -2.34 120.51 133.29 3in1 n ALA 140 Ca -0.03 -3.15 0.00 0.00 0.00 0.00 0.00 53.44 50.26 3in1 n ALA 140 Cb 0.46 -3.54 0.00 0.00 0.00 0.00 0.00 19.45 16.36 3in1 n ALA 140 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3in1 n SER 141 N 11.71 -1.08 -4.77 0.00 7.64 -1.20 -4.48 113.62 121.44 3in1 n SER 141 Ca 0.47 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.94 3in1 n SER 141 Cb 0.44 -0.54 -0.01 0.00 -1.01 0.00 0.00 64.21 63.09 3in1 n SER 141 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3in1 s ILE 142 N 0.00 2.25 0.00 0.44 1.01 0.35 -1.85 121.20 123.39 3in1 s ILE 142 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.89 3in1 s ILE 142 Cb 0.00 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.31 3in1 s ILE 142 CO 0.00 0.05 0.00 0.49 0.00 0.00 0.00 174.94 175.48 3in1 n PHE 143 N 0.90 0.00 -0.01 3.97 3.72 -1.26 -2.94 117.46 121.84 3in1 n PHE 143 Ca 0.02 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.31 3in1 n PHE 143 Cb 0.40 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.88 3in1 n PHE 143 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3in1 h ASN 144 N 0.00 0.13 -3.55 4.37 -1.24 -1.71 -3.34 115.58 110.25 3in1 h ASN 144 Ca 0.00 -0.02 -0.71 0.00 0.71 0.00 0.00 56.30 56.28 3in1 h ASN 144 Cb 0.00 -0.03 -0.33 0.00 0.73 0.00 0.00 38.32 38.69 3in1 h ASN 144 CO 0.00 0.11 -0.46 -0.44 -1.29 0.00 0.00 177.43 175.36 3in1 s SER 145 N -5.32 5.42 0.34 1.15 0.01 -1.26 -4.86 113.70 109.18 3in1 s SER 145 Ca -0.13 -2.15 0.12 0.00 1.31 0.00 0.00 55.95 55.10 3in1 s SER 145 Cb 0.07 -1.90 1.05 0.00 0.21 0.00 0.00 66.02 65.46 3in1 s SER 145 CO 0.68 -0.56 1.59 -0.65 0.41 0.00 0.00 173.24 174.71 3in1 h PRO 146 N 7.99 0.06 -0.00 12.44 0.11 -1.85 0.43 132.00 151.17 3in1 h PRO 146 Ca -0.13 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3in1 h PRO 146 Cb 1.04 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3in1 h PRO 146 CO 0.75 0.04 0.01 -0.07 -0.21 0.00 0.00 178.00 178.52 3in1 h LEU 147 N 0.06 0.00 -6.31 2.35 3.38 -1.81 -2.98 115.31 110.00 3in1 h LEU 147 Ca 0.72 0.00 -0.76 0.00 0.09 0.00 0.00 57.88 57.93 3in1 h LEU 147 Cb 1.72 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 42.31 3in1 h LEU 147 CO -0.79 0.00 1.98 0.18 0.09 0.00 0.00 178.44 179.90 3in1 n LEU 148 N -3.17 6.94 0.00 1.67 4.77 0.14 -4.69 117.00 122.66 3in1 n LEU 148 Ca -0.03 -4.76 -0.14 0.00 -0.03 0.00 0.00 56.01 51.05 3in1 n LEU 148 Cb 0.08 -1.43 0.10 0.00 -2.33 0.00 0.00 43.42 39.84 3in1 n LEU 148 CO 0.21 1.57 0.41 -0.90 -1.33 0.00 0.00 177.39 177.35 3in1 n ASP 149 N 3.11 0.09 -0.34 -1.43 5.68 -1.13 -4.64 116.55 117.90 3in1 n ASP 149 Ca 0.43 -1.25 0.13 0.00 -0.50 0.00 0.00 54.79 53.60 3in1 n ASP 149 Cb 0.33 -0.48 0.34 0.00 -1.14 0.00 0.00 41.12 40.17 3in1 n ASP 149 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3in1 h GLY 150 N -0.81 1.62 0.77 6.12 0.00 -1.92 -0.57 103.07 108.28 3in1 h GLY 150 Ca -0.20 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.74 3in1 h GLY 150 CO 0.15 -0.01 -0.05 1.70 0.00 0.00 0.00 176.54 178.32 3in1 h LYS 151 N 0.75 0.32 -0.34 4.80 3.64 -1.93 -1.77 116.57 122.04 3in1 h LYS 151 Ca 0.55 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.78 3in1 h LYS 151 Cb 0.87 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 3in1 h LYS 151 CO -0.33 0.61 0.13 0.00 -2.27 0.00 0.00 179.45 177.59 3in1 h ALA 152 N 0.71 0.44 -0.71 5.00 0.00 -1.75 -2.44 119.26 120.52 3in1 h ALA 152 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3in1 h ALA 152 Cb 0.49 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3in1 h ALA 152 CO 0.02 0.05 0.45 -0.07 0.00 0.00 0.00 179.25 179.70 3in1 h LEU 153 N 0.40 0.83 -0.54 0.00 3.38 -1.13 0.93 115.31 119.18 3in1 h LEU 153 Ca 0.11 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.11 3in1 h LEU 153 Cb 0.19 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 3in1 h LEU 153 CO -0.01 0.62 0.24 0.74 0.09 0.00 0.00 178.44 180.11 3in1 h THR 154 N 0.96 0.87 -0.24 0.22 2.02 -1.18 0.52 112.91 116.08 3in1 h THR 154 Ca 0.26 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 3in1 h THR 154 Cb -0.08 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 3in1 h THR 154 CO -0.05 0.08 0.09 -0.08 0.37 0.00 0.00 175.52 175.93 3in1 h GLU 155 N 0.45 0.35 -0.21 6.66 4.57 -0.89 0.30 114.58 125.81 3in1 h GLU 155 Ca 0.26 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.37 3in1 h GLU 155 Cb 0.24 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 3in1 h GLU 155 CO -0.22 0.40 0.12 0.82 -1.18 0.00 0.00 179.01 178.94 3in1 h ILE 156 N 0.23 1.10 0.00 2.32 2.04 -0.13 -1.88 117.51 121.19 3in1 h ILE 156 Ca 0.08 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 3in1 h ILE 156 Cb 0.18 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3in1 h ILE 156 CO -0.01 0.10 -0.35 -0.26 0.00 0.00 0.00 178.15 177.64 3in1 h PHE 157 N 0.24 0.00 -0.29 1.37 0.04 0.10 -1.08 116.94 117.31 3in1 h PHE 157 Ca 0.07 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.70 3in1 h PHE 157 Cb 0.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 3in1 h PHE 157 CO -0.04 0.35 -0.39 1.15 -0.60 0.00 0.00 178.31 178.78 3in1 h THR 158 N 0.00 1.29 -0.39 -1.55 2.02 -0.59 -0.02 112.91 113.67 3in1 h THR 158 Ca -0.00 -1.56 -0.07 0.00 0.77 0.00 0.00 66.41 65.54 3in1 h THR 158 Cb 0.62 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 3in1 h THR 158 CO 0.04 0.50 -0.04 1.56 0.37 0.00 0.00 175.52 177.95 3in1 h GLN 159 N 0.57 0.72 -0.63 6.66 1.08 -0.90 -2.08 115.11 120.52 3in1 h GLN 159 Ca 0.05 -0.25 -0.07 0.00 -1.45 0.00 0.00 58.65 56.93 3in1 h GLN 159 Cb 0.92 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.27 3in1 h GLN 159 CO 0.08 0.83 0.14 0.00 -0.95 0.00 0.00 178.83 178.93 3in1 h ALA 160 N 0.86 0.84 0.00 3.87 0.00 -0.99 -2.96 119.26 120.88 3in1 h ALA 160 Ca 0.11 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 3in1 h ALA 160 Cb 0.54 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3in1 h ALA 160 CO 0.03 0.57 -0.48 0.87 0.00 0.00 0.00 179.25 180.23 3in1 h LYS 161 N 0.94 0.00 0.00 0.00 1.79 -0.92 -2.14 116.57 116.24 3in1 h LYS 161 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 3in1 h LYS 161 Cb 0.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 3in1 h LYS 161 CO 0.01 0.48 0.00 0.00 -1.08 0.00 0.00 179.45 178.86 3in1 n ALA 162 N -2.45 1.57 -0.96 3.86 0.00 -0.79 -1.17 120.51 120.57 3in1 n ALA 162 Ca -0.02 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.52 3in1 n ALA 162 Cb 0.50 -1.26 0.19 0.00 0.00 0.00 0.00 19.45 18.87 3in1 n ALA 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3in1 n ARG 163 N -1.77 2.11 -2.59 0.00 1.74 -0.82 -5.11 116.66 110.22 3in1 n ARG 163 Ca 0.02 -2.63 -0.03 0.00 -0.77 0.00 0.00 57.85 54.45 3in1 n ARG 163 Cb 0.17 -1.62 -0.02 0.00 -1.02 0.00 0.00 32.46 29.96 3in1 n ARG 163 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3in1 n GLN 164 N -0.94 -3.60 -4.63 5.56 3.00 -0.31 -4.94 117.38 111.51 3in1 n GLN 164 Ca 0.17 2.73 -0.27 0.00 -0.01 0.00 0.00 57.00 59.62 3in1 n GLN 164 Cb 0.73 -3.65 -0.17 0.00 0.00 0.00 0.00 30.24 27.15 3in1 n GLN 164 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 3in1 s ILE 166 N -0.44 1.40 -0.25 5.09 1.01 -0.04 -5.00 121.20 122.95 3in1 s ILE 166 Ca -0.14 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 59.82 3in1 s ILE 166 Cb 0.01 -1.26 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 3in1 s ILE 166 CO 0.37 0.42 0.09 -0.63 0.00 0.00 0.00 174.94 175.19 3in1 s ILE 167 N 0.74 4.53 0.04 2.92 1.01 -1.26 -0.42 121.20 128.76 3in1 s ILE 167 Ca -0.12 -0.10 0.08 0.00 0.00 0.00 0.00 60.65 60.51 3in1 s ILE 167 Cb -0.16 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 3in1 s ILE 167 CO 0.03 0.32 -0.21 0.00 0.00 0.00 0.00 174.94 175.08 3in1 s ALA 169 N -0.89 -0.45 0.00 0.00 0.00 -0.38 -0.85 121.76 119.18 3in1 s ALA 169 Ca 0.14 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3in1 s ALA 169 Cb -0.10 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.67 3in1 s ALA 169 CO 0.04 -0.10 0.00 -3.47 0.00 0.00 0.00 175.76 172.23 3in1 n ASP 170 N 3.18 0.91 -3.37 0.00 2.03 -0.99 -1.22 116.55 117.08 3in1 n ASP 170 Ca -0.15 -0.56 -0.05 0.00 0.52 0.00 0.00 54.79 54.55 3in1 n ASP 170 Cb 0.58 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.99 3in1 n ASP 170 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3in1 s ILE 172 N 0.73 0.00 0.26 5.18 -4.36 -1.15 -0.50 121.20 121.37 3in1 s ILE 172 Ca 0.00 -0.79 -0.30 0.00 -0.26 0.00 0.00 60.65 59.31 3in1 s ILE 172 Cb 0.00 -2.58 -0.09 0.00 1.25 0.00 0.00 42.46 41.04 3in1 s ILE 172 CO 0.00 0.00 1.08 -0.54 0.24 0.00 0.00 174.94 175.72 3in1 s LYS 173 N -2.67 4.66 0.26 0.37 1.02 -1.26 -4.84 119.74 117.27 3in1 s LYS 173 Ca 0.16 1.76 -0.31 0.00 0.02 0.00 0.00 55.97 57.61 3in1 s LYS 173 Cb -0.04 -3.21 -0.13 0.00 -0.52 0.00 0.00 37.83 33.93 3in1 s LYS 173 CO 0.07 0.24 1.35 -2.30 -0.92 0.00 0.00 175.35 173.78 3in1 n PRO 174 N 1.34 1.96 -0.03 -1.68 -0.02 -1.26 -4.88 135.00 130.44 3in1 n PRO 174 Ca -0.01 0.70 -0.09 0.00 -2.02 0.00 0.00 63.50 62.08 3in1 n PRO 174 Cb 0.45 -2.31 -0.14 0.00 -0.02 0.00 0.00 33.50 31.47 3in1 n PRO 174 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3in1 n ARG 175 N 1.67 0.64 -2.15 -0.52 1.74 -1.26 -4.48 116.66 112.30 3in1 n ARG 175 Ca 0.10 0.27 -0.25 0.00 -0.77 0.00 0.00 57.85 57.20 3in1 n ARG 175 Cb 0.32 -1.77 0.01 0.00 -1.02 0.00 0.00 32.46 30.01 3in1 n ARG 175 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3in1 n LEU 176 N -3.03 4.88 -1.80 0.55 4.77 -1.26 -4.95 117.00 116.16 3in1 n LEU 176 Ca -0.19 -4.88 -0.19 0.00 -0.03 0.00 0.00 56.01 50.72 3in1 n LEU 176 Cb 1.06 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 41.72 3in1 n LEU 176 CO 0.45 2.14 -0.21 0.59 -1.33 0.00 0.00 177.39 179.03 3in1 n ASN 177 N -0.64 -5.42 -4.77 -1.43 5.03 -1.26 -4.97 115.26 101.79 3in1 n ASN 177 Ca 0.43 0.25 -0.37 0.00 0.87 0.00 0.00 54.58 55.76 3in1 n ASN 177 Cb 0.88 -4.55 -0.01 0.00 -1.02 0.00 0.00 39.78 35.08 3in1 n ASN 177 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3in1 s GLU 178 N -4.23 3.67 0.43 3.52 8.01 -1.26 -5.03 118.70 123.80 3in1 s GLU 178 Ca 0.00 1.78 0.07 0.00 0.01 0.00 0.00 54.97 56.83 3in1 s GLU 178 Cb 0.00 -2.34 -0.04 0.00 -4.31 0.00 0.00 34.13 27.44 3in1 s GLU 178 CO 0.00 -0.63 0.24 0.95 0.01 0.00 0.00 175.26 175.83 3in1 s THR 179 N -1.56 2.31 0.53 3.63 -4.23 -1.26 -4.80 115.64 110.25 3in1 s THR 179 Ca 0.65 -1.61 0.18 0.00 -1.18 0.00 0.00 61.69 59.74 3in1 s THR 179 Cb -0.29 -2.92 0.30 0.00 1.34 0.00 0.00 72.50 70.93 3in1 s THR 179 CO 0.34 0.00 2.14 0.25 -0.54 0.00 0.00 174.62 176.81 3in1 h LEU 180 N 1.29 0.00 -1.50 4.79 5.85 -1.96 0.44 115.31 124.22 3in1 h LEU 180 Ca -0.42 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.25 3in1 h LEU 180 Cb 1.26 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 3in1 h LEU 180 CO 0.66 0.00 -0.24 0.44 -0.34 0.00 0.00 178.44 178.96 3in1 h ASP 181 N 0.00 0.00 0.66 1.25 3.32 -1.96 -1.41 116.42 118.28 3in1 h ASP 181 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3in1 h ASP 181 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3in1 h ASP 181 CO -0.00 0.24 0.00 0.47 -1.72 0.00 0.00 179.24 178.23 3in1 n ASP 182 N -3.78 0.64 -0.04 6.45 8.00 0.15 -3.39 116.55 124.57 3in1 n ASP 182 Ca -0.01 0.67 0.00 0.00 0.71 0.00 0.00 54.79 56.16 3in1 n ASP 182 Cb 0.34 -0.80 0.01 0.00 -0.02 0.00 0.00 41.12 40.65 3in1 n ASP 182 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3in1 n ILE 183 N -2.22 0.38 -0.23 0.53 -5.35 -0.90 -3.58 119.36 107.98 3in1 n ILE 183 Ca 0.02 -0.40 -0.04 0.00 -0.27 0.00 0.00 62.75 62.06 3in1 n ILE 183 Cb 0.21 0.75 0.13 0.00 -1.74 0.00 0.00 39.64 38.99 3in1 n ILE 183 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3in1 h GLU 185 N 1.04 0.95 -0.51 0.00 4.81 -1.87 -2.83 114.58 116.18 3in1 h GLU 185 Ca 0.24 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3in1 h GLU 185 Cb 0.20 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3in1 h GLU 185 CO -0.02 0.93 0.22 0.00 -0.73 0.00 0.00 179.01 179.41 3in1 h ALA 186 N 0.99 0.66 -0.37 2.92 0.00 -1.68 -2.70 119.26 119.09 3in1 h ALA 186 Ca 0.17 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.05 3in1 h ALA 186 Cb 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3in1 h ALA 186 CO 0.02 0.25 0.30 -0.07 0.00 0.00 0.00 179.25 179.74 3in1 h LEU 187 N 0.68 0.00 -0.21 0.00 3.38 -0.81 -1.68 115.31 116.67 3in1 h LEU 187 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3in1 h LEU 187 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3in1 h LEU 187 CO -0.02 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.97 3in1 n SER 188 N -4.16 0.11 -0.00 -0.43 3.41 -1.02 -1.27 113.62 110.26 3in1 n SER 188 Ca 0.06 0.54 0.10 0.00 -0.26 0.00 0.00 58.87 59.31 3in1 n SER 188 Cb 0.48 -0.56 -0.11 0.00 -0.26 0.00 0.00 64.21 63.76 3in1 n SER 188 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3in1 n TYR 189 N -1.64 0.01 -2.61 7.33 4.01 -0.63 -4.67 117.16 118.96 3in1 n TYR 189 Ca 0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.34 3in1 n TYR 189 Cb 0.07 -0.09 -0.04 0.00 -0.31 0.00 0.00 39.34 38.98 3in1 n TYR 189 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3in1 s VAL 190 N -3.08 4.33 -0.14 -0.72 1.01 -0.40 -4.73 120.40 116.69 3in1 s VAL 190 Ca 0.06 1.83 -0.15 0.00 0.00 0.00 0.00 61.98 63.72 3in1 s VAL 190 Cb 0.16 -4.17 -0.25 0.00 0.00 0.00 0.00 36.38 32.12 3in1 s VAL 190 CO 0.87 0.23 0.41 0.44 0.00 0.00 0.00 175.10 177.05 3in1 h ASP 191 N 6.00 0.28 -3.23 3.32 3.32 -1.43 -1.65 116.42 123.03 3in1 h ASP 191 Ca -0.43 -0.79 -0.50 0.00 0.02 0.00 0.00 57.03 55.34 3in1 h ASP 191 Cb 1.21 -0.09 -0.37 0.00 0.22 0.00 0.00 39.33 40.30 3in1 h ASP 191 CO 0.75 1.64 -0.79 -0.31 -1.72 0.00 0.00 179.24 178.81 3in1 s TYR 192 N -2.47 1.23 -0.09 4.55 2.02 -0.92 -0.20 117.35 121.47 3in1 s TYR 192 Ca -0.23 -0.55 0.01 0.00 -0.37 0.00 0.00 57.07 55.93 3in1 s TYR 192 Cb 0.05 -1.08 -0.02 0.00 -0.40 0.00 0.00 41.96 40.51 3in1 s TYR 192 CO 0.72 -0.43 -0.10 -1.17 -1.57 0.00 0.00 175.55 172.99 3in1 s LEU 193 N 1.65 2.92 -0.65 -1.29 2.96 -0.39 -1.25 118.68 122.62 3in1 s LEU 193 Ca 0.03 -0.18 0.06 0.00 -0.22 0.00 0.00 54.13 53.81 3in1 s LEU 193 Cb -0.13 -1.64 0.25 0.00 0.50 0.00 0.00 46.19 45.17 3in1 s LEU 193 CO -0.06 0.27 0.77 0.49 -1.32 0.00 0.00 176.35 176.50 3in1 n PHE 194 N 2.81 3.62 -2.07 5.38 3.72 -0.36 0.05 117.46 130.61 3in1 n PHE 194 Ca -0.18 -4.12 -0.32 0.00 -0.05 0.00 0.00 57.45 52.79 3in1 n PHE 194 Cb 0.53 -0.58 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 3in1 n PHE 194 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3in1 s PRO 195 N -2.48 3.53 0.08 -1.08 0.04 -1.20 -4.74 135.00 129.14 3in1 s PRO 195 Ca 0.39 1.01 -0.19 0.00 0.04 0.00 0.00 61.00 62.26 3in1 s PRO 195 Cb 0.14 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.55 3in1 s PRO 195 CO -0.01 -0.63 0.56 1.21 0.04 0.00 0.00 177.00 178.17 3in1 s ASN 196 N -3.24 7.02 0.09 6.66 2.47 -1.26 -1.82 114.94 124.86 3in1 s ASN 196 Ca 0.60 1.23 -0.32 0.00 0.42 0.00 0.00 52.86 54.78 3in1 s ASN 196 Cb -0.13 -2.35 -0.14 0.00 -1.45 0.00 0.00 41.25 37.18 3in1 s ASN 196 CO 0.40 0.26 1.51 0.15 -3.72 0.00 0.00 177.10 175.70 3in1 h PHE 197 N 4.43 -1.40 -0.37 0.43 3.57 -1.81 0.11 116.94 121.90 3in1 h PHE 197 Ca -0.50 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.11 3in1 h PHE 197 Cb 1.21 0.59 -0.07 0.00 2.79 0.00 0.00 35.95 40.47 3in1 h PHE 197 CO 0.68 -0.57 -0.06 0.00 -2.23 0.00 0.00 178.31 176.13 3in1 h ALA 198 N -0.69 0.28 -0.06 2.41 0.00 -1.95 -1.04 119.26 118.20 3in1 h ALA 198 Ca -0.02 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3in1 h ALA 198 Cb 0.73 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3in1 h ALA 198 CO -0.22 -0.44 -0.31 0.93 0.00 0.00 0.00 179.25 179.21 3in1 h GLU 199 N 0.03 0.11 -0.24 0.00 5.08 -1.95 -2.45 114.58 115.17 3in1 h GLU 199 Ca 0.18 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.36 3in1 h GLU 199 Cb 0.27 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3in1 h GLU 199 CO -0.35 0.41 -0.45 0.00 -1.00 0.00 0.00 179.01 177.62 3in1 h ALA 200 N 1.59 0.77 -0.56 3.43 0.00 0.11 -1.94 119.26 122.66 3in1 h ALA 200 Ca 0.01 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 3in1 h ALA 200 Cb 0.60 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3in1 h ALA 200 CO 0.04 0.66 0.34 0.87 0.00 0.00 0.00 179.25 181.17 3in1 h LYS 201 N 0.49 0.76 -0.10 0.00 1.57 -0.76 0.11 116.57 118.63 3in1 h LYS 201 Ca 0.03 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3in1 h LYS 201 Cb 0.97 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 3in1 h LYS 201 CO 0.09 0.54 0.03 -0.07 -0.57 0.00 0.00 179.45 179.47 3in1 h LEU 202 N 0.75 0.15 -0.04 2.94 3.38 -1.37 0.25 115.31 121.38 3in1 h LEU 202 Ca 0.20 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3in1 h LEU 202 Cb -0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3in1 h LEU 202 CO -0.04 0.32 0.02 0.25 0.09 0.00 0.00 178.44 179.08 3in1 h LEU 203 N -0.03 0.05 0.00 1.67 5.85 -1.13 -3.21 115.31 118.52 3in1 h LEU 203 Ca 0.03 -0.08 -0.20 0.00 0.84 0.00 0.00 57.88 58.47 3in1 h LEU 203 Cb 0.22 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3in1 h LEU 203 CO -0.00 0.12 -1.03 0.71 -0.34 0.00 0.00 178.44 177.90 3in1 h THR 204 N -0.02 1.39 0.00 1.05 1.35 -1.03 -3.42 112.91 112.23 3in1 h THR 204 Ca 0.01 -3.04 0.00 0.00 -0.55 0.00 0.00 66.41 62.83 3in1 h THR 204 Cb 0.08 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 3in1 h THR 204 CO -0.00 0.79 0.00 0.61 -0.25 0.00 0.00 175.52 176.67 3in1 n GLY 205 N 1.36 0.53 3.83 5.82 0.00 0.89 -5.05 105.19 112.57 3in1 n GLY 205 Ca -0.02 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 3in1 n GLY 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3in1 s LYS 206 N -0.92 2.87 -0.14 1.61 -0.14 -1.19 -5.03 119.74 116.81 3in1 s LYS 206 Ca 0.00 -1.11 0.13 0.00 -1.36 0.00 0.00 55.97 53.62 3in1 s LYS 206 Cb 0.00 -2.54 -0.17 0.00 -1.68 0.00 0.00 37.83 33.43 3in1 s LYS 206 CO 0.00 0.33 0.05 0.39 -0.76 0.00 0.00 175.35 175.36 3in1 n GLU 207 N -1.23 1.68 -3.34 1.68 -0.58 -1.26 -4.53 120.64 113.06 3in1 n GLU 207 Ca -0.06 -0.01 -0.38 0.00 -0.42 0.00 0.00 57.16 56.28 3in1 n GLU 207 Cb 0.58 -1.36 -0.06 0.00 -0.57 0.00 0.00 31.44 30.03 3in1 n GLU 207 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3in1 s THR 208 N -2.35 4.93 0.19 2.62 2.01 -1.26 -4.97 115.64 116.80 3in1 s THR 208 Ca -0.07 1.06 -0.13 0.00 0.31 0.00 0.00 61.69 62.86 3in1 s THR 208 Cb 0.04 -3.83 0.10 0.00 0.01 0.00 0.00 72.50 68.82 3in1 s THR 208 CO 0.58 0.50 1.74 -0.07 -0.69 0.00 0.00 174.62 176.68 3in1 h LEU 209 N 5.13 0.16 -0.89 4.42 3.38 -1.98 0.66 115.31 126.19 3in1 h LEU 209 Ca -0.48 0.06 0.06 0.00 0.09 0.00 0.00 57.88 57.61 3in1 h LEU 209 Cb 1.21 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.95 3in1 h LEU 209 CO 0.66 0.12 0.56 -0.78 0.09 0.00 0.00 178.44 179.08 3in1 h ASP 210 N 0.34 0.90 0.11 -0.43 3.58 -1.99 0.24 116.42 119.17 3in1 h ASP 210 Ca 0.24 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.70 3in1 h ASP 210 Cb 0.27 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.14 3in1 h ASP 210 CO -0.26 0.58 -0.05 -0.08 -2.88 0.00 0.00 179.24 176.55 3in1 h GLU 211 N 1.04 -0.14 0.33 0.28 4.57 -1.35 -2.28 114.58 117.02 3in1 h GLU 211 Ca 0.38 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.57 3in1 h GLU 211 Cb 0.13 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 3in1 h GLU 211 CO -0.16 0.21 -0.34 0.82 -1.18 0.00 0.00 179.01 178.35 3in1 h ILE 212 N -0.51 0.29 -0.95 2.32 2.04 0.54 -1.69 117.51 119.54 3in1 h ILE 212 Ca -0.02 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.04 3in1 h ILE 212 Cb 0.42 0.29 -0.08 0.00 -0.74 0.00 0.00 36.82 36.70 3in1 h ILE 212 CO 0.02 0.00 0.61 0.00 0.00 0.00 0.00 178.15 178.78 3in1 h ALA 213 N -0.21 1.99 -0.63 1.87 0.00 -0.60 -0.91 119.26 120.78 3in1 h ALA 213 Ca -0.02 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3in1 h ALA 213 Cb 0.64 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3in1 h ALA 213 CO -0.07 -0.31 0.23 -0.44 0.00 0.00 0.00 179.25 178.66 3in1 h ASP 214 N 0.56 0.85 -0.76 0.00 5.19 -0.71 -1.22 116.42 120.33 3in1 h ASP 214 Ca 0.52 -0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.77 3in1 h ASP 214 Cb 1.06 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 40.31 3in1 h ASP 214 CO -0.26 0.77 0.34 0.00 -3.12 0.00 0.00 179.24 176.98 3in1 h PHE 216 N 1.08 0.61 -0.35 0.00 0.04 -1.43 -2.73 116.94 114.17 3in1 h PHE 216 Ca 0.26 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.88 3in1 h PHE 216 Cb 0.16 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 3in1 h PHE 216 CO 0.01 0.78 0.23 -0.07 -0.60 0.00 0.00 178.31 178.66 3in1 h LEU 217 N 0.27 0.40 -1.51 1.54 3.38 -1.03 -0.86 115.31 117.50 3in1 h LEU 217 Ca 0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3in1 h LEU 217 Cb 0.61 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3in1 h LEU 217 CO 0.03 0.29 0.23 0.00 0.09 0.00 0.00 178.44 179.09 3in1 h ALA 218 N 1.78 1.63 0.00 1.53 0.00 -0.75 -1.24 119.26 122.21 3in1 h ALA 218 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3in1 h ALA 218 Cb -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3in1 h ALA 218 CO -0.03 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.54 3in1 n GLY 220 N 1.06 0.79 3.73 0.00 0.00 -0.47 -2.58 105.19 107.73 3in1 n GLY 220 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3in1 n GLY 220 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3in1 s VAL 221 N -2.00 2.55 -0.02 1.61 1.01 -1.16 -4.53 120.40 117.86 3in1 s VAL 221 Ca 0.00 0.43 -0.20 0.00 0.00 0.00 0.00 61.98 62.21 3in1 s VAL 221 Cb 0.00 -3.27 -0.12 0.00 0.00 0.00 0.00 36.38 32.98 3in1 s VAL 221 CO 0.00 0.05 0.87 0.11 0.00 0.00 0.00 175.10 176.13 3in1 h LYS 222 N 5.91 -0.53 -4.77 2.72 1.79 -1.39 -3.41 116.57 116.89 3in1 h LYS 222 Ca -0.44 0.04 -0.56 0.00 -2.18 0.00 0.00 60.65 57.51 3in1 h LYS 222 Cb 1.21 0.12 -0.33 0.00 -1.58 0.00 0.00 32.23 31.65 3in1 h LYS 222 CO 0.85 -0.26 -0.83 0.99 -1.08 0.00 0.00 179.45 179.12 3in1 s THR 223 N -3.83 1.37 -0.17 -0.16 2.01 0.72 -4.27 115.64 111.30 3in1 s THR 223 Ca -0.11 -0.62 -0.04 0.00 0.31 0.00 0.00 61.69 61.23 3in1 s THR 223 Cb 0.01 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.27 3in1 s THR 223 CO 0.37 0.41 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.98 3in1 s VAL 224 N 0.56 3.88 -0.37 3.82 1.01 -0.49 -1.26 120.40 127.55 3in1 s VAL 224 Ca -0.15 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.50 3in1 s VAL 224 Cb -0.16 -2.72 0.11 0.00 0.00 0.00 0.00 36.38 33.61 3in1 s VAL 224 CO 0.05 0.48 0.10 -0.69 0.00 0.00 0.00 175.10 175.04 3in1 s VAL 225 N 0.53 2.01 -0.24 2.92 1.01 0.11 -1.38 120.40 125.35 3in1 s VAL 225 Ca -0.03 -2.34 -0.22 0.00 0.00 0.00 0.00 61.98 59.40 3in1 s VAL 225 Cb -0.14 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 3in1 s VAL 225 CO 0.03 -0.66 0.70 -0.63 0.00 0.00 0.00 175.10 174.53 3in1 s ILE 226 N 0.81 4.94 -0.15 2.22 1.01 0.85 -3.25 121.20 127.63 3in1 s ILE 226 Ca 0.12 1.29 -0.29 0.00 0.00 0.00 0.00 60.65 61.77 3in1 s ILE 226 Cb -0.20 -4.00 -0.00 0.00 0.01 0.00 0.00 42.46 38.27 3in1 s ILE 226 CO -0.09 0.00 1.04 -0.54 0.00 0.00 0.00 174.94 175.35 3in1 s LYS 227 N 2.54 4.35 -0.38 2.79 1.02 -0.76 -0.49 119.74 128.82 3in1 s LYS 227 Ca 0.30 1.40 0.05 0.00 0.02 0.00 0.00 55.97 57.74 3in1 s LYS 227 Cb -0.15 -3.59 0.46 0.00 -0.52 0.00 0.00 37.83 34.03 3in1 s LYS 227 CO 0.08 -0.45 1.40 0.25 -0.92 0.00 0.00 175.35 175.71 3in1 n THR 228 N 4.87 2.78 0.00 2.17 -2.24 -0.60 -2.27 114.28 118.99 3in1 n THR 228 Ca 0.10 -3.83 0.00 0.00 -2.27 0.00 0.00 64.05 58.06 3in1 n THR 228 Cb 0.47 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 3in1 n THR 228 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3in1 n GLY 229 N -0.79 3.39 0.31 3.38 0.00 -1.25 -1.62 105.19 108.62 3in1 n GLY 229 Ca 0.47 0.17 0.21 0.00 0.00 0.00 0.00 46.02 46.87 3in1 n GLY 229 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3in1 h LYS 230 N 0.00 0.00 -0.17 1.61 3.64 -2.00 -1.72 116.57 117.93 3in1 h LYS 230 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3in1 h LYS 230 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3in1 h LYS 230 CO 0.00 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.93 3in1 n ASP 231 N -3.02 1.43 0.00 4.20 8.00 -0.64 -4.27 116.55 122.26 3in1 n ASP 231 Ca -0.02 -1.72 0.00 0.00 0.71 0.00 0.00 54.79 53.76 3in1 n ASP 231 Cb 0.11 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 3in1 n ASP 231 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3in1 n GLY 232 N 1.06 1.66 3.34 0.44 0.00 -0.65 -3.62 105.19 107.41 3in1 n GLY 232 Ca 0.15 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 3in1 n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3in1 s PHE 234 N -3.84 2.69 -0.02 0.00 5.36 0.36 -1.35 117.98 121.18 3in1 s PHE 234 Ca 0.05 -1.12 0.08 0.00 -0.96 0.00 0.00 56.93 54.98 3in1 s PHE 234 Cb 0.02 -1.81 -0.02 0.00 -0.34 0.00 0.00 43.02 40.87 3in1 s PHE 234 CO -0.09 -0.49 -0.25 0.42 -1.46 0.00 0.00 175.22 173.35 3in1 s ILE 235 N 0.65 2.16 -0.10 3.12 1.01 -1.26 -0.11 121.20 126.68 3in1 s ILE 235 Ca -0.10 -1.07 -0.07 0.00 0.00 0.00 0.00 60.65 59.42 3in1 s ILE 235 Cb -0.16 -1.75 0.04 0.00 0.01 0.00 0.00 42.46 40.59 3in1 s ILE 235 CO 0.02 0.58 0.25 -0.75 0.00 0.00 0.00 174.94 175.04 3in1 s LYS 236 N -0.62 0.24 0.00 2.79 2.20 -0.48 -4.42 119.74 119.46 3in1 s LYS 236 Ca 0.10 0.45 0.00 0.00 -0.36 0.00 0.00 55.97 56.16 3in1 s LYS 236 Cb -0.10 -0.01 -0.00 0.00 -1.51 0.00 0.00 37.83 36.21 3in1 s LYS 236 CO -0.01 -0.11 0.00 0.54 -0.36 0.00 0.00 175.35 175.42 3in1 n ARG 237 N 3.67 1.39 -1.52 4.03 1.74 -1.26 -1.39 116.66 123.31 3in1 n ARG 237 Ca -0.20 -0.02 -0.19 0.00 -0.77 0.00 0.00 57.85 56.67 3in1 n ARG 237 Cb 0.55 0.01 -0.17 0.00 -1.02 0.00 0.00 32.46 31.83 3in1 n ARG 237 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3in1 n GLY 238 N 3.45 -0.38 1.71 -0.13 0.00 -1.26 -4.71 105.19 103.87 3in1 n GLY 238 Ca -0.00 0.12 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 3in1 n GLY 238 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3in1 n ASP 239 N 10.08 -2.61 0.00 1.61 8.00 -1.26 -5.25 116.55 127.12 3in1 n ASP 239 Ca 0.61 -0.11 0.00 0.00 0.71 0.00 0.00 54.79 56.00 3in1 n ASP 239 Cb 0.24 -1.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 3in1 n ASP 239 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 3in1 n THR 241 N -1.72 0.00 -3.72 -3.53 5.66 -1.26 -5.10 114.28 104.61 3in1 n THR 241 Ca -0.02 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.86 3in1 n THR 241 Cb 0.52 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.20 3in1 n THR 241 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3in1 s LYS 243 N -2.00 0.49 -0.23 1.09 1.02 -1.26 -4.98 119.74 113.87 3in1 s LYS 243 Ca 0.00 0.63 -0.00 0.00 0.02 0.00 0.00 55.97 56.62 3in1 s LYS 243 Cb 0.00 0.21 0.06 0.00 -0.52 0.00 0.00 37.83 37.58 3in1 s LYS 243 CO 0.00 -0.07 -0.02 0.08 -0.92 0.00 0.00 175.35 174.42 3in1 s VAL 244 N 0.40 1.24 0.53 3.17 1.01 -0.46 -5.00 120.40 121.29 3in1 s VAL 244 Ca -0.01 -1.10 -0.21 0.00 0.00 0.00 0.00 61.98 60.66 3in1 s VAL 244 Cb -0.04 -1.61 -0.06 0.00 0.00 0.00 0.00 36.38 34.67 3in1 s VAL 244 CO -0.01 -0.19 1.11 -2.65 0.00 0.00 0.00 175.10 173.36 3in1 n PRO 245 N 4.77 1.31 -1.56 2.72 -0.02 -1.26 -1.43 135.00 139.54 3in1 n PRO 245 Ca -0.10 0.48 -0.29 0.00 -2.02 0.00 0.00 63.50 61.57 3in1 n PRO 245 Cb 0.45 -2.28 0.17 0.00 -0.02 0.00 0.00 33.50 31.82 3in1 n PRO 245 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3in1 s ALA 246 N -1.37 1.67 -0.03 3.55 0.00 -1.24 -4.72 121.76 119.62 3in1 s ALA 246 Ca 0.71 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 51.55 3in1 s ALA 246 Cb -0.45 -2.92 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 3in1 s ALA 246 CO 0.51 -2.61 1.65 0.08 0.00 0.00 0.00 175.76 175.38 3in1 s VAL 247 N -3.40 3.50 0.70 0.00 1.01 -1.26 -4.87 120.40 116.07 3in1 s VAL 247 Ca 0.68 0.68 -0.11 0.00 0.00 0.00 0.00 61.98 63.23 3in1 s VAL 247 Cb -0.10 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.85 3in1 s VAL 247 CO 0.54 -0.05 1.06 0.00 0.00 0.00 0.00 175.10 176.65 3in1 s ALA 248 N 3.74 2.71 0.00 5.51 0.00 -1.19 -3.83 121.76 128.70 3in1 s ALA 248 Ca 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3in1 s ALA 248 Cb -0.34 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3in1 s ALA 248 CO 0.30 -1.20 0.00 0.41 0.00 0.00 0.00 175.76 175.27 3in1 n GLY 249 N -2.19 0.55 3.62 0.00 0.00 -1.26 -4.94 105.19 100.96 3in1 n GLY 249 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3in1 n GLY 249 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3in1 s ILE 250 N -2.45 4.47 0.02 -0.61 -1.09 -1.25 -4.94 121.20 115.34 3in1 s ILE 250 Ca 0.00 1.51 -0.08 0.00 -2.23 0.00 0.00 60.65 59.85 3in1 s ILE 250 Cb 0.00 -4.43 -0.04 0.00 -1.58 0.00 0.00 42.46 36.41 3in1 s ILE 250 CO 0.00 -0.60 1.12 0.00 -1.23 0.00 0.00 174.94 174.24 3in1 h THR 251 N 5.85 0.00 0.00 2.92 1.03 -1.95 -3.49 112.91 117.27 3in1 h THR 251 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.18 3in1 h THR 251 Cb 1.06 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.14 3in1 h THR 251 CO 1.04 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 176.55 3in1 n ALA 252 N -2.32 0.00 -0.02 0.00 0.00 -1.26 -5.05 120.51 111.86 3in1 n ALA 252 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.26 3in1 n ALA 252 Cb 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.45 3in1 n ALA 252 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3in1 h ILE 253 N 0.00 1.47 -1.72 0.00 2.10 -0.62 -3.48 117.51 115.26 3in1 h ILE 253 Ca 0.00 -1.83 0.03 0.00 1.08 0.00 0.00 64.86 64.14 3in1 h ILE 253 Cb 0.00 2.52 -0.24 0.00 -1.09 0.00 0.00 36.82 38.01 3in1 h ILE 253 CO 0.00 0.52 0.37 -0.62 -1.08 0.00 0.00 178.15 177.34 3in1 s ASP 254 N -6.38 -0.52 -0.29 2.19 3.68 -0.95 -5.03 116.67 109.36 3in1 s ASP 254 Ca -0.15 0.93 0.11 0.00 2.13 0.00 0.00 52.55 55.57 3in1 s ASP 254 Cb 0.02 0.91 0.63 0.00 -1.45 0.00 0.00 42.92 43.04 3in1 s ASP 254 CO 0.76 -0.24 1.65 0.35 0.13 0.00 0.00 175.17 177.82 3in1 n THR 255 N 2.01 2.72 -2.07 1.71 -2.24 -1.26 -4.14 114.28 111.02 3in1 n THR 255 Ca -0.13 -1.99 -0.42 0.00 -2.27 0.00 0.00 64.05 59.24 3in1 n THR 255 Cb 0.56 -0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 3in1 n THR 255 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3in1 s ILE 256 N -3.05 3.47 -0.22 2.28 -1.09 -1.26 -2.03 121.20 119.30 3in1 s ILE 256 Ca 0.50 0.79 0.00 0.00 -2.23 0.00 0.00 60.65 59.71 3in1 s ILE 256 Cb 0.41 -3.51 0.00 0.00 -1.58 0.00 0.00 42.46 37.78 3in1 s ILE 256 CO 0.09 -0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.38 3in1 n GLY 257 N 3.91 0.50 0.28 6.18 0.00 -1.26 -4.04 105.19 110.75 3in1 n GLY 257 Ca 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 3in1 n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3in1 h ALA 258 N 0.00 1.34 -0.30 4.61 0.00 -1.75 -1.83 119.26 121.33 3in1 h ALA 258 Ca -0.04 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 3in1 h ALA 258 Cb 0.39 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3in1 h ALA 258 CO 0.06 0.46 -0.32 0.78 0.00 0.00 0.00 179.25 180.23 3in1 h GLY 259 N 0.86 0.69 1.64 0.00 0.00 -1.90 -0.07 103.07 104.29 3in1 h GLY 259 Ca 0.13 -0.63 -0.11 0.00 0.00 0.00 0.00 47.33 46.72 3in1 h GLY 259 CO 0.01 0.57 -0.35 -0.55 0.00 0.00 0.00 176.54 176.22 3in1 h ASP 260 N 0.54 0.42 -0.17 0.19 3.32 -1.82 -1.42 116.42 117.48 3in1 h ASP 260 Ca 0.06 -0.17 -0.19 0.00 0.02 0.00 0.00 57.03 56.76 3in1 h ASP 260 Cb 0.81 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 40.25 3in1 h ASP 260 CO 0.07 0.75 -0.63 0.78 -1.72 0.00 0.00 179.24 178.48 3in1 h ASN 261 N 0.35 0.85 0.20 6.45 2.35 -1.10 -1.95 115.58 122.74 3in1 h ASN 261 Ca 0.04 -0.61 0.00 0.00 -0.55 0.00 0.00 56.30 55.18 3in1 h ASN 261 Cb 0.78 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 3in1 h ASN 261 CO 0.06 1.32 -0.17 0.15 -1.65 0.00 0.00 177.43 177.14 3in1 h PHE 262 N 0.44 -0.45 -0.88 1.19 3.57 -0.81 -1.35 116.94 118.66 3in1 h PHE 262 Ca -0.03 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.48 3in1 h PHE 262 Cb 1.26 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 40.13 3in1 h PHE 262 CO 0.09 -0.26 0.58 0.00 -2.23 0.00 0.00 178.31 176.49 3in1 h ALA 263 N 0.37 1.38 -0.44 2.41 0.00 -1.29 -0.65 119.26 121.04 3in1 h ALA 263 Ca -0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3in1 h ALA 263 Cb 0.36 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3in1 h ALA 263 CO -0.02 0.57 0.16 0.77 0.00 0.00 0.00 179.25 180.73 3in1 h SER 264 N 1.18 0.63 -0.57 0.00 0.02 -1.05 0.79 113.55 114.55 3in1 h SER 264 Ca 0.32 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 61.01 3in1 h SER 264 Cb -0.12 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 3in1 h SER 264 CO -0.07 0.65 0.04 1.23 -1.14 0.00 0.00 176.83 177.53 3in1 h GLY 265 N 0.57 1.06 0.94 -3.77 0.00 -0.88 -1.00 103.07 99.99 3in1 h GLY 265 Ca 0.15 -0.75 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 3in1 h GLY 265 CO -0.01 0.69 -0.02 -2.75 0.00 0.00 0.00 176.54 174.45 3in1 h PHE 266 N 0.87 -0.05 -0.86 5.60 3.57 -0.87 -1.54 116.94 123.66 3in1 h PHE 266 Ca 0.17 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.69 3in1 h PHE 266 Cb 0.49 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 3in1 h PHE 266 CO 0.04 0.03 0.57 0.82 -2.23 0.00 0.00 178.31 177.53 3in1 h ILE 267 N -0.11 1.19 -0.50 1.41 2.04 -0.73 -0.32 117.51 120.49 3in1 h ILE 267 Ca -0.01 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 3in1 h ILE 267 Cb 0.10 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.12 3in1 h ILE 267 CO 0.01 0.21 0.14 0.00 0.00 0.00 0.00 178.15 178.50 3in1 h ALA 268 N 1.48 0.65 -0.63 1.87 0.00 -0.90 -1.68 119.26 120.05 3in1 h ALA 268 Ca 0.33 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3in1 h ALA 268 Cb -0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3in1 h ALA 268 CO -0.08 0.33 0.04 0.00 0.00 0.00 0.00 179.25 179.53 3in1 h ALA 269 N 1.00 0.88 0.01 0.00 0.00 -0.71 -2.12 119.26 118.33 3in1 h ALA 269 Ca 0.16 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3in1 h ALA 269 Cb 0.30 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3in1 h ALA 269 CO -0.00 0.67 -0.05 -0.07 0.00 0.00 0.00 179.25 179.79 3in1 h LEU 270 N 0.99 -0.15 -2.24 0.00 3.38 -0.81 -1.82 115.31 114.66 3in1 h LEU 270 Ca 0.18 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3in1 h LEU 270 Cb 0.52 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3in1 h LEU 270 CO 0.02 -0.08 -0.04 -0.07 0.09 0.00 0.00 178.44 178.37 3in1 h LEU 271 N -0.10 0.00 -0.75 1.67 3.38 -1.18 0.10 115.31 118.43 3in1 h LEU 271 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3in1 h LEU 271 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3in1 h LEU 271 CO -0.05 0.04 0.00 -0.62 0.09 0.00 0.00 178.44 177.90 3in1 n GLU 272 N -3.94 1.49 -1.21 1.13 1.02 -0.75 -4.93 120.64 113.45 3in1 n GLU 272 Ca -0.03 -0.74 -0.07 0.00 -0.02 0.00 0.00 57.16 56.30 3in1 n GLU 272 Cb 0.12 -1.36 -0.03 0.00 -0.02 0.00 0.00 31.44 30.15 3in1 n GLU 272 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3in1 n GLY 273 N 1.02 0.91 3.79 0.62 0.00 0.35 -5.03 105.19 106.86 3in1 n GLY 273 Ca 0.15 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 3in1 n GLY 273 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3in1 s LYS 274 N -2.61 2.86 0.87 1.61 1.02 -0.82 -5.03 119.74 117.64 3in1 s LYS 274 Ca 0.00 1.19 -0.12 0.00 0.02 0.00 0.00 55.97 57.06 3in1 s LYS 274 Cb 0.00 -1.97 0.11 0.00 -0.52 0.00 0.00 37.83 35.45 3in1 s LYS 274 CO 0.00 -1.18 1.12 0.54 -0.92 0.00 0.00 175.35 174.91 3in1 s ASN 275 N -3.11 3.87 0.23 2.83 2.20 -1.26 -4.77 114.94 114.94 3in1 s ASN 275 Ca 0.63 1.14 -0.06 0.00 -0.94 0.00 0.00 52.86 53.63 3in1 s ASN 275 Cb -0.17 -1.79 0.39 0.00 -2.00 0.00 0.00 41.25 37.68 3in1 s ASN 275 CO 0.47 -2.35 1.75 0.25 -2.94 0.00 0.00 177.10 174.28 3in1 h LEU 276 N -1.35 0.36 -0.36 3.54 5.85 -1.99 -0.93 115.31 120.43 3in1 h LEU 276 Ca -0.49 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 3in1 h LEU 276 Cb 1.30 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 3in1 h LEU 276 CO 0.60 0.18 0.12 -0.09 -0.34 0.00 0.00 178.44 178.92 3in1 h ARG 277 N 0.52 0.56 0.00 1.25 2.43 -2.00 -2.06 114.38 115.07 3in1 h ARG 277 Ca 0.38 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3in1 h ARG 277 Cb 0.49 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3in1 h ARG 277 CO -0.33 0.57 0.00 1.05 -1.51 0.00 0.00 179.97 179.74 3in1 h GLU 278 N 0.43 0.00 -0.32 0.20 4.11 -1.82 -1.29 114.58 115.89 3in1 h GLU 278 Ca 0.12 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.45 3in1 h GLU 278 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3in1 h GLU 278 CO -0.01 0.00 -0.17 0.00 0.07 0.00 0.00 179.01 178.91 3in1 h ALA 280 N 0.76 0.89 -0.65 0.00 0.00 -0.93 -0.44 119.26 118.90 3in1 h ALA 280 Ca 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3in1 h ALA 280 Cb 0.70 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3in1 h ALA 280 CO 0.05 0.56 0.33 0.00 0.00 0.00 0.00 179.25 180.19 3in1 h ARG 281 N 0.99 0.92 -0.49 0.00 3.08 -1.12 0.14 114.38 117.91 3in1 h ARG 281 Ca 0.22 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 60.04 3in1 h ARG 281 Cb 0.29 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3in1 h ARG 281 CO -0.01 0.72 -0.12 0.35 -1.07 0.00 0.00 179.97 179.85 3in1 h PHE 282 N 0.89 1.00 -0.27 3.04 3.57 -0.88 0.09 116.94 124.39 3in1 h PHE 282 Ca 0.22 -0.20 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3in1 h PHE 282 Cb 0.09 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 3in1 h PHE 282 CO -0.00 0.96 0.08 0.00 -2.23 0.00 0.00 178.31 177.12 3in1 h ALA 283 N 1.05 0.35 -0.60 2.41 0.00 -0.61 -0.57 119.26 121.30 3in1 h ALA 283 Ca 0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3in1 h ALA 283 Cb 0.65 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3in1 h ALA 283 CO 0.04 -0.02 0.22 -0.91 0.00 0.00 0.00 179.25 178.59 3in1 h ASN 284 N 0.27 0.80 -0.32 0.00 -0.26 -0.58 -0.69 115.58 114.80 3in1 h ASN 284 Ca 0.09 -0.11 -0.15 0.00 -0.56 0.00 0.00 56.30 55.56 3in1 h ASN 284 Cb 0.24 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.29 3in1 h ASN 284 CO -0.00 0.73 -0.37 0.00 -1.06 0.00 0.00 177.43 176.73 3in1 h ALA 285 N 1.38 0.64 -0.29 -0.83 0.00 -0.69 -0.47 119.26 119.00 3in1 h ALA 285 Ca 0.20 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 3in1 h ALA 285 Cb 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3in1 h ALA 285 CO -0.02 0.67 -0.17 1.15 0.00 0.00 0.00 179.25 180.89 3in1 h THR 286 N 0.71 1.30 -0.57 0.00 2.02 -0.85 -2.79 112.91 112.73 3in1 h THR 286 Ca 0.06 -1.28 -0.07 0.00 0.77 0.00 0.00 66.41 65.90 3in1 h THR 286 Cb 0.95 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.83 3in1 h THR 286 CO 0.09 0.41 0.09 0.00 0.37 0.00 0.00 175.52 176.48 3in1 h ALA 287 N 0.74 1.09 -0.26 6.16 0.00 -1.06 -2.81 119.26 123.12 3in1 h ALA 287 Ca 0.06 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3in1 h ALA 287 Cb 0.70 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3in1 h ALA 287 CO 0.05 0.59 0.16 0.00 0.00 0.00 0.00 179.25 180.05 3in1 h ALA 288 N 1.23 0.33 -0.56 0.00 0.00 -0.99 -2.23 119.26 117.05 3in1 h ALA 288 Ca 0.18 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3in1 h ALA 288 Cb 0.38 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3in1 h ALA 288 CO 0.01 -0.22 0.37 0.82 0.00 0.00 0.00 179.25 180.23 3in1 h ILE 289 N 0.33 1.12 -0.03 0.00 2.04 -1.33 -2.72 117.51 116.91 3in1 h ILE 289 Ca 0.10 -0.25 -0.15 0.00 1.00 0.00 0.00 64.86 65.56 3in1 h ILE 289 Cb -0.02 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3in1 h ILE 289 CO -0.04 0.13 -0.67 0.77 0.00 0.00 0.00 178.15 178.35 3in1 h SER 290 N 0.72 0.18 0.58 1.72 4.64 -1.17 -3.04 113.55 117.18 3in1 h SER 290 Ca 0.21 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3in1 h SER 290 Cb -0.03 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3in1 h SER 290 CO -0.05 0.79 0.00 1.33 -0.87 0.00 0.00 176.83 178.03 3in1 n VAL 291 N -3.80 0.40 0.26 0.95 0.24 -0.91 -2.87 118.33 112.60 3in1 n VAL 291 Ca -0.02 0.10 0.12 0.00 -2.04 0.00 0.00 64.34 62.50 3in1 n VAL 291 Cb 0.66 -0.73 0.11 0.00 -1.47 0.00 0.00 33.84 32.41 3in1 n VAL 291 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3in1 h LEU 292 N 0.00 0.00 -8.99 1.34 3.38 -1.52 0.33 115.31 109.85 3in1 h LEU 292 Ca 0.00 -0.04 -0.68 0.00 0.09 0.00 0.00 57.88 57.25 3in1 h LEU 292 Cb 0.29 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.84 3in1 h LEU 292 CO 0.00 0.02 -0.84 -0.44 0.09 0.00 0.00 178.44 177.27 3in1 s SER 293 N -5.34 3.48 0.26 -0.43 0.01 -1.14 -4.65 113.70 105.90 3in1 s SER 293 Ca 0.04 -0.74 -0.30 0.00 1.31 0.00 0.00 55.95 56.26 3in1 s SER 293 Cb 0.09 -0.30 -0.09 0.00 0.21 0.00 0.00 66.02 65.93 3in1 s SER 293 CO 0.73 0.16 1.05 -0.69 0.41 0.00 0.00 173.24 174.90 3in1 s VAL 294 N -1.26 3.66 0.00 3.43 1.01 -1.26 -4.64 120.40 121.34 3in1 s VAL 294 Ca 0.17 1.67 0.00 0.00 0.00 0.00 0.00 61.98 63.81 3in1 s VAL 294 Cb -0.09 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.23 3in1 s VAL 294 CO 0.08 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3in1 n GLY 295 N 1.30 2.42 0.07 4.51 0.00 -1.26 -4.56 105.19 107.68 3in1 n GLY 295 Ca -0.01 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.01 3in1 n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3in1 h ALA 296 N 0.00 -0.01 -0.46 4.61 0.00 -1.89 -3.36 119.26 118.14 3in1 h ALA 296 Ca 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 3in1 h ALA 296 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3in1 h ALA 296 CO 0.00 -0.11 0.03 0.25 0.00 0.00 0.00 179.25 179.42 3in1 n THR 297 N -4.72 2.59 0.06 0.00 -2.24 -1.26 -4.56 114.28 104.14 3in1 n THR 297 Ca -0.09 -1.70 -0.20 0.00 -2.27 0.00 0.00 64.05 59.79 3in1 n THR 297 Cb 0.37 -0.28 -0.14 0.00 -2.10 0.00 0.00 70.33 68.18 3in1 n THR 297 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3in1 h THR 298 N 2.78 1.44 0.31 4.28 2.02 -1.80 -3.39 112.91 118.55 3in1 h THR 298 Ca 0.05 -2.45 -0.02 0.00 0.77 0.00 0.00 66.41 64.76 3in1 h THR 298 Cb 1.80 3.01 0.00 0.00 -1.74 0.00 0.00 68.15 71.22 3in1 h THR 298 CO 0.41 0.71 -0.15 1.23 0.37 0.00 0.00 175.52 178.09 3in1 h GLY 299 N -0.18 -0.44 -7.29 2.16 0.00 -1.81 -3.39 103.07 92.13 3in1 h GLY 299 Ca -0.15 0.16 -0.63 0.00 0.00 0.00 0.00 47.33 46.72 3in1 h GLY 299 CO 0.17 -0.16 1.51 0.14 0.00 0.00 0.00 176.54 178.20 3in1 s VAL 300 N -4.78 4.10 -0.12 4.60 1.01 -1.26 -4.75 120.40 119.19 3in1 s VAL 300 Ca -0.14 -1.10 0.17 0.00 0.00 0.00 0.00 61.98 60.90 3in1 s VAL 300 Cb 0.02 -5.04 -0.15 0.00 0.00 0.00 0.00 36.38 31.21 3in1 s VAL 300 CO 0.55 -1.88 0.77 0.29 0.00 0.00 0.00 175.10 174.83 3in1 n LYS 301 N 8.39 0.63 -3.49 2.72 5.02 -1.26 -4.93 118.16 125.23 3in1 n LYS 301 Ca 0.34 0.20 -0.11 0.00 -2.02 0.00 0.00 58.31 56.72 3in1 n LYS 301 Cb 0.50 -1.79 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 3in1 n LYS 301 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3in1 s ASN 302 N -5.74 -0.48 0.22 4.39 2.20 -1.26 -4.96 114.94 109.31 3in1 s ASN 302 Ca -0.03 -0.11 -0.09 0.00 -0.94 0.00 0.00 52.86 51.69 3in1 s ASN 302 Cb 0.09 0.58 0.18 0.00 -2.00 0.00 0.00 41.25 40.09 3in1 s ASN 302 CO 0.82 -0.97 1.89 -0.09 -2.94 0.00 0.00 177.10 175.81 3in1 h ARG 303 N 2.08 1.07 -0.60 3.55 2.43 -1.91 -2.88 114.38 118.13 3in1 h ARG 303 Ca -0.33 -0.07 0.13 0.00 -0.81 0.00 0.00 59.98 58.90 3in1 h ARG 303 Cb 1.30 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 30.57 3in1 h ARG 303 CO 0.39 0.71 0.41 0.87 -1.51 0.00 0.00 179.97 180.84 3in1 h LYS 304 N 1.10 0.26 -0.84 0.20 1.57 -1.97 -0.29 116.57 116.60 3in1 h LYS 304 Ca 0.30 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 3in1 h LYS 304 Cb -0.12 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.09 3in1 h LYS 304 CO -0.06 0.17 0.45 1.25 -0.57 0.00 0.00 179.45 180.69 3in1 h LEU 305 N 0.27 1.06 -0.07 2.94 5.85 -1.93 -1.19 115.31 122.24 3in1 h LEU 305 Ca 0.28 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.79 3in1 h LEU 305 Cb 0.75 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 41.52 3in1 h LEU 305 CO -0.06 0.87 -0.38 0.58 -0.34 0.00 0.00 178.44 179.10 3in1 h VAL 306 N 1.18 1.42 -0.14 1.05 2.07 -1.20 -2.94 116.25 117.68 3in1 h VAL 306 Ca 0.29 -1.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.00 3in1 h VAL 306 Cb 0.05 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 3in1 h VAL 306 CO -0.05 0.52 -0.07 -0.33 0.02 0.00 0.00 177.57 177.66 3in1 h GLU 307 N -0.10 0.21 0.05 1.57 5.08 -1.20 0.64 114.58 120.83 3in1 h GLU 307 Ca -0.03 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3in1 h GLU 307 Cb 1.04 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3in1 h GLU 307 CO 0.08 0.30 -0.02 1.96 -1.00 0.00 0.00 179.01 180.32 3in1 h GLN 308 N 0.21 -0.06 -0.14 2.33 4.20 -1.25 -2.36 115.11 118.04 3in1 h GLN 308 Ca 0.05 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.80 3in1 h GLN 308 Cb 0.26 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 3in1 h GLN 308 CO 0.01 0.26 0.11 1.25 -0.67 0.00 0.00 178.83 179.80 3in1 h LEU 309 N -0.39 0.00 -0.88 1.46 5.85 -1.24 -1.81 115.31 118.30 3in1 h LEU 309 Ca -0.01 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 3in1 h LEU 309 Cb 0.35 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3in1 h LEU 309 CO 0.01 0.00 -0.00 0.25 -0.34 0.00 0.00 178.44 178.36 3in1 h LEU 310 N 0.00 0.80 -8.92 2.25 5.85 -0.35 -3.21 115.31 111.73 3in1 h LEU 310 Ca 0.07 -0.20 -0.57 0.00 0.84 0.00 0.00 57.88 58.02 3in1 h LEU 310 Cb 0.29 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 3in1 h LEU 310 CO -0.00 0.87 0.92 -1.61 -0.34 0.00 0.00 178.44 178.27 3in1 s GLU 311 N -4.99 3.95 0.00 1.25 2.02 -0.68 -2.18 118.70 118.07 3in1 s GLU 311 Ca -0.10 1.09 0.00 0.00 0.02 0.00 0.00 54.97 55.98 3in1 s GLU 311 Cb 0.14 -3.83 0.00 0.00 0.10 0.00 0.00 34.13 30.55 3in1 s GLU 311 CO 0.82 -1.07 0.00 -0.85 0.02 0.00 0.00 175.26 174.18 3in1 n GLU 312 N 7.21 0.00 -0.35 1.61 0.28 -1.26 -4.93 120.64 123.19 3in1 n GLU 312 Ca 0.13 0.05 0.25 0.00 -0.16 0.00 0.00 57.16 57.43 3in1 n GLU 312 Cb 0.47 -0.53 0.50 0.00 1.43 0.00 0.00 31.44 33.32 3in1 n GLU 312 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 3in1 h TYR 313 N 0.00 0.76 0.00 -1.84 3.20 -1.43 -3.47 116.97 114.18 3in1 h TYR 313 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3in1 h TYR 313 Cb 0.04 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.10 3in1 h TYR 313 CO 0.00 -0.04 0.00 0.39 -1.64 0.00 0.00 178.16 176.87