#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a7r n THR 2 N 0.00 0.00 -3.97 2.46 -2.24 -1.26 -4.97 114.28 104.30 3a7r n THR 2 Ca 0.00 -0.03 -0.27 0.00 -2.27 0.00 0.00 64.05 61.48 3a7r n THR 2 Cb 0.00 0.73 -0.04 0.00 -2.10 0.00 0.00 70.33 68.92 3a7r n THR 2 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3a7r s LEU 3 N -2.91 4.23 -0.02 3.22 1.43 -1.26 0.11 118.68 123.48 3a7r s LEU 3 Ca 0.11 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 3a7r s LEU 3 Cb 0.17 -2.82 0.02 0.00 0.03 0.00 0.00 46.19 43.59 3a7r s LEU 3 CO 0.76 0.08 -0.00 -0.60 0.23 0.00 0.00 176.35 176.81 3a7r s ARG 4 N -3.08 0.21 -0.23 1.70 3.52 0.27 -4.89 118.95 116.45 3a7r s ARG 4 Ca 0.34 0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.97 3a7r s ARG 4 Cb -0.11 -0.34 0.03 0.00 -1.56 0.00 0.00 34.95 32.97 3a7r s ARG 4 CO 0.27 -0.07 -0.11 -1.17 -0.81 0.00 0.00 175.30 173.41 3a7r s LEU 5 N 0.63 2.96 -0.08 -0.88 2.96 -1.26 -0.64 118.68 122.37 3a7r s LEU 5 Ca -0.06 -0.92 0.03 0.00 -0.22 0.00 0.00 54.13 52.97 3a7r s LEU 5 Cb -0.09 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 45.01 3a7r s LEU 5 CO -0.01 -0.10 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.96 3a7r s LEU 6 N 1.27 1.90 -0.12 -0.68 1.43 0.53 -0.78 118.68 122.23 3a7r s LEU 6 Ca -0.00 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 3a7r s LEU 6 Cb -0.16 -1.13 0.01 0.00 0.03 0.00 0.00 46.19 44.93 3a7r s LEU 6 CO -0.07 0.11 -0.19 -0.63 0.23 0.00 0.00 176.35 175.81 3a7r s ILE 7 N 0.41 1.78 0.01 -0.59 -1.09 -0.25 -0.89 121.20 120.57 3a7r s ILE 7 Ca -0.15 -0.81 -0.19 0.00 -2.23 0.00 0.00 60.65 57.27 3a7r s ILE 7 Cb -0.16 -1.59 -0.06 0.00 -1.58 0.00 0.00 42.46 39.07 3a7r s ILE 7 CO 0.06 0.50 0.54 -0.55 -1.23 0.00 0.00 174.94 174.26 3a7r s SER 8 N 0.88 6.94 0.00 3.58 0.15 -0.45 -0.83 113.70 123.97 3a7r s SER 8 Ca -0.07 1.11 0.25 0.00 0.70 0.00 0.00 55.95 57.94 3a7r s SER 8 Cb -0.15 -2.33 0.42 0.00 -1.71 0.00 0.00 66.02 62.25 3a7r s SER 8 CO -0.01 0.18 1.39 0.47 1.20 0.00 0.00 173.24 176.47 3a7r n ASP 9 N 2.39 2.66 -4.81 5.45 8.00 0.38 -4.70 116.55 125.93 3a7r n ASP 9 Ca -0.09 -1.88 -0.35 0.00 0.71 0.00 0.00 54.79 53.18 3a7r n ASP 9 Cb 0.51 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.52 3a7r n ASP 9 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3a7r s SER 10 N -1.94 7.05 -0.17 -2.24 0.15 -1.26 -4.83 113.70 110.47 3a7r s SER 10 Ca 0.31 1.57 0.16 0.00 0.70 0.00 0.00 55.95 58.69 3a7r s SER 10 Cb 0.20 -2.48 0.56 0.00 -1.71 0.00 0.00 66.02 62.59 3a7r s SER 10 CO 0.31 -0.14 1.46 -1.22 1.20 0.00 0.00 173.24 174.85 3a7r n TYR 11 N 0.13 1.07 -3.57 3.44 4.01 -1.26 -4.48 117.16 116.49 3a7r n TYR 11 Ca 0.02 -0.82 -0.40 0.00 -0.16 0.00 0.00 57.90 56.55 3a7r n TYR 11 Cb 0.52 -0.31 -0.11 0.00 -0.31 0.00 0.00 39.34 39.13 3a7r n TYR 11 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3a7r s ASP 12 N -1.67 5.90 0.48 7.72 3.68 -1.26 -1.05 116.67 130.46 3a7r s ASP 12 Ca 0.43 -0.42 0.17 0.00 2.13 0.00 0.00 52.55 54.86 3a7r s ASP 12 Cb 0.33 -2.09 1.16 0.00 -1.45 0.00 0.00 42.92 40.87 3a7r s ASP 12 CO 0.11 -0.21 2.05 1.55 0.13 0.00 0.00 175.17 178.80 3a7r h PRO 13 N 8.44 0.00 -0.24 4.34 0.13 -1.89 -0.55 132.00 142.23 3a7r h PRO 13 Ca -0.32 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.67 3a7r h PRO 13 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3a7r h PRO 13 CO 0.62 0.13 -0.41 -1.49 -0.23 0.00 0.00 178.00 176.63 3a7r h TRP 14 N 0.00 0.87 -0.14 1.56 6.55 -1.93 0.81 115.95 123.67 3a7r h TRP 14 Ca -0.00 -0.30 -0.00 0.00 0.95 0.00 0.00 58.89 59.53 3a7r h TRP 14 Cb 0.25 -0.17 -0.01 0.00 -0.86 0.00 0.00 29.16 28.38 3a7r h TRP 14 CO 0.00 1.08 0.07 0.35 -1.05 0.00 0.00 178.44 178.89 3a7r h PHE 15 N 0.41 0.20 -0.31 0.49 3.57 -1.81 -1.74 116.94 117.76 3a7r h PHE 15 Ca 0.02 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.37 3a7r h PHE 15 Cb 1.01 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 3a7r h PHE 15 CO 0.08 0.22 -0.38 -0.91 -2.23 0.00 0.00 178.31 175.09 3a7r h ASN 16 N 0.12 0.77 -0.45 0.41 2.35 -0.98 -0.52 115.58 117.29 3a7r h ASN 16 Ca 0.05 -0.34 -0.11 0.00 -0.55 0.00 0.00 56.30 55.35 3a7r h ASN 16 Cb 0.09 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3a7r h ASN 16 CO -0.01 1.07 -0.12 -0.07 -1.65 0.00 0.00 177.43 176.65 3a7r h LEU 17 N 0.60 0.92 -0.74 1.61 3.38 -0.87 -0.85 115.31 119.35 3a7r h LEU 17 Ca 0.05 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 3a7r h LEU 17 Cb 0.92 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 3a7r h LEU 17 CO 0.08 1.04 0.17 0.00 0.09 0.00 0.00 178.44 179.82 3a7r h ALA 18 N 1.04 0.97 -0.19 1.53 0.00 -1.00 -0.86 119.26 120.74 3a7r h ALA 18 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3a7r h ALA 18 Cb 0.65 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3a7r h ALA 18 CO 0.05 0.66 0.12 0.28 0.00 0.00 0.00 179.25 180.36 3a7r h VAL 19 N 1.06 1.04 -0.42 0.00 2.07 -0.95 -0.86 116.25 118.19 3a7r h VAL 19 Ca 0.22 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.70 3a7r h VAL 19 Cb 0.37 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3a7r h VAL 19 CO 0.00 0.05 0.16 -0.08 0.02 0.00 0.00 177.57 177.72 3a7r h GLU 20 N 0.25 0.33 -0.33 1.57 4.81 -0.99 0.23 114.58 120.45 3a7r h GLU 20 Ca 0.07 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 3a7r h GLU 20 Cb -0.02 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3a7r h GLU 20 CO -0.02 0.22 0.06 1.49 -0.73 0.00 0.00 179.01 180.02 3a7r h GLU 21 N 0.34 0.54 -0.44 1.92 4.81 -1.01 -0.97 114.58 119.77 3a7r h GLU 21 Ca 0.19 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 3a7r h GLU 21 Cb 0.16 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3a7r h GLU 21 CO -0.18 0.62 -0.05 0.00 -0.73 0.00 0.00 179.01 178.67 3a7r h ILE 23 N 0.63 1.03 -0.39 0.00 1.08 -0.90 -2.51 117.51 116.45 3a7r h ILE 23 Ca 0.12 -0.18 -0.00 0.00 -0.39 0.00 0.00 64.86 64.40 3a7r h ILE 23 Cb 0.56 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 3a7r h ILE 23 CO 0.03 0.10 0.23 0.15 -0.69 0.00 0.00 178.15 177.97 3a7r h PHE 24 N 0.54 0.53 -0.12 1.37 3.57 -0.97 -1.18 116.94 120.67 3a7r h PHE 24 Ca 0.19 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 3a7r h PHE 24 Cb 0.03 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 3a7r h PHE 24 CO -0.07 0.39 -0.14 0.00 -2.23 0.00 0.00 178.31 176.26 3a7r h ARG 25 N 0.51 0.19 -0.01 1.11 2.47 -1.10 -3.02 114.38 114.52 3a7r h ARG 25 Ca 0.14 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 3a7r h ARG 25 Cb 0.03 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3a7r h ARG 25 CO -0.02 0.33 -0.57 0.94 0.56 0.00 0.00 179.97 181.21 3a7r n GLN 26 N -4.29 0.88 -1.72 0.04 7.27 -0.96 -4.98 117.38 113.62 3a7r n GLN 26 Ca -0.01 -0.71 -0.42 0.00 0.07 0.00 0.00 57.00 55.93 3a7r n GLN 26 Cb 0.26 -1.49 -0.03 0.00 2.41 0.00 0.00 30.24 31.40 3a7r n GLN 26 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 3a7r s MET 27 N -2.61 4.12 0.73 3.69 1.75 -0.48 -4.95 119.30 121.55 3a7r s MET 27 Ca 0.17 2.62 -0.16 0.00 -1.25 0.00 0.00 55.69 57.07 3a7r s MET 27 Cb 0.18 -3.10 0.04 0.00 2.84 0.00 0.00 34.83 34.78 3a7r s MET 27 CO 0.64 -0.76 1.26 -2.14 -0.65 0.00 0.00 175.02 173.36 3a7r s PRO 28 N 1.27 2.09 0.36 4.11 0.02 -1.26 -4.89 135.00 136.69 3a7r s PRO 28 Ca 0.75 1.94 0.10 0.00 0.02 0.00 0.00 61.00 63.81 3a7r s PRO 28 Cb -0.50 -1.81 0.86 0.00 0.02 0.00 0.00 34.50 33.08 3a7r s PRO 28 CO 0.32 -1.92 1.84 0.00 -0.33 0.00 0.00 177.00 176.91 3a7r h ALA 29 N -0.16 1.89 -0.02 -1.55 0.00 -1.96 -1.78 119.26 115.68 3a7r h ALA 29 Ca -0.49 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3a7r h ALA 29 Cb 1.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3a7r h ALA 29 CO 0.50 -0.18 -0.19 0.25 0.00 0.00 0.00 179.25 179.63 3a7r n THR 30 N -4.60 0.00 -2.77 0.00 -2.24 -1.26 -3.92 114.28 99.49 3a7r n THR 30 Ca 0.20 -0.30 -0.33 0.00 -2.27 0.00 0.00 64.05 61.34 3a7r n THR 30 Cb 0.56 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.73 3a7r n THR 30 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3a7r s GLN 31 N -2.24 4.17 -0.10 -0.78 0.74 -0.67 -4.85 119.66 115.93 3a7r s GLN 31 Ca 0.27 1.14 0.04 0.00 0.05 0.00 0.00 55.36 56.86 3a7r s GLN 31 Cb 0.20 -2.17 -0.00 0.00 1.10 0.00 0.00 33.01 32.13 3a7r s GLN 31 CO 0.43 -0.09 -0.24 1.03 -0.55 0.00 0.00 175.29 175.88 3a7r s ARG 32 N -3.23 3.00 -0.09 1.67 3.00 0.12 -3.92 118.95 119.50 3a7r s ARG 32 Ca 0.62 -0.88 0.01 0.00 0.00 0.00 0.00 55.73 55.49 3a7r s ARG 32 Cb -0.10 -2.29 -0.02 0.00 0.00 0.00 0.00 34.95 32.54 3a7r s ARG 32 CO 0.15 0.21 -0.12 0.08 0.00 0.00 0.00 175.30 175.61 3a7r s VAL 33 N 0.28 3.19 -0.17 3.52 1.01 -0.71 -0.57 120.40 126.95 3a7r s VAL 33 Ca -0.17 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 3a7r s VAL 33 Cb -0.17 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 3a7r s VAL 33 CO 0.08 0.56 -0.12 -0.22 0.00 0.00 0.00 175.10 175.40 3a7r s LEU 34 N -0.19 2.64 -0.14 3.92 2.96 0.18 -1.46 118.68 126.61 3a7r s LEU 34 Ca 0.01 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 53.53 3a7r s LEU 34 Cb -0.13 -1.62 0.01 0.00 0.50 0.00 0.00 46.19 44.95 3a7r s LEU 34 CO 0.03 0.08 -0.22 0.12 -1.32 0.00 0.00 176.35 175.04 3a7r s PHE 35 N 0.87 2.66 -0.11 5.38 5.36 0.06 -0.34 117.98 131.86 3a7r s PHE 35 Ca -0.03 -1.30 0.03 0.00 -0.96 0.00 0.00 56.93 54.66 3a7r s PHE 35 Cb -0.15 -1.80 -0.00 0.00 -0.34 0.00 0.00 43.02 40.72 3a7r s PHE 35 CO -0.00 -0.59 -0.21 -0.51 -1.46 0.00 0.00 175.22 172.45 3a7r s LEU 36 N 0.75 2.26 0.09 6.12 1.43 -0.07 -0.29 118.68 128.97 3a7r s LEU 36 Ca -0.09 -0.50 -0.24 0.00 -1.03 0.00 0.00 54.13 52.28 3a7r s LEU 36 Cb -0.16 -1.46 0.06 0.00 0.03 0.00 0.00 46.19 44.66 3a7r s LEU 36 CO -0.01 0.16 0.58 -1.66 0.23 0.00 0.00 176.35 175.66 3a7r s TRP 37 N 0.34 -0.52 0.09 0.29 1.48 -0.87 -1.34 118.94 118.42 3a7r s TRP 37 Ca -0.17 0.50 0.03 0.00 -1.06 0.00 0.00 56.10 55.40 3a7r s TRP 37 Cb -0.17 0.46 -0.04 0.00 -1.16 0.00 0.00 33.47 32.56 3a7r s TRP 37 CO 0.08 -0.74 -0.09 1.03 -4.06 0.00 0.00 176.95 173.17 3a7r s ARG 38 N -2.92 0.82 -0.04 3.25 0.52 -1.26 -0.48 118.95 118.84 3a7r s ARG 38 Ca -0.03 -1.17 0.04 0.00 -0.52 0.00 0.00 55.73 54.05 3a7r s ARG 38 Cb -0.00 -0.44 0.00 0.00 0.52 0.00 0.00 34.95 35.03 3a7r s ARG 38 CO -0.05 0.06 -0.15 -0.80 0.02 0.00 0.00 175.30 174.37 3a7r s ASN 39 N -2.52 1.92 0.57 0.23 0.01 -1.26 -4.18 114.94 109.72 3a7r s ASN 39 Ca 0.06 -0.31 -0.17 0.00 -0.71 0.00 0.00 52.86 51.72 3a7r s ASN 39 Cb -0.02 -0.59 -0.05 0.00 0.41 0.00 0.00 41.25 41.01 3a7r s ASN 39 CO -0.01 0.12 1.07 0.00 -1.51 0.00 0.00 177.10 176.77 3a7r s ALA 40 N 0.17 2.72 0.00 0.60 0.00 -0.22 -3.60 121.76 121.43 3a7r s ALA 40 Ca -0.05 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.46 3a7r s ALA 40 Cb -0.12 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3a7r s ALA 40 CO 0.02 -0.75 0.00 -0.25 0.00 0.00 0.00 175.76 174.78 3a7r n ASP 41 N -1.67 0.00 -3.79 0.00 9.92 -1.12 -4.81 116.55 115.07 3a7r n ASP 41 Ca 0.10 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.23 3a7r n ASP 41 Cb 0.52 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.91 3a7r n ASP 41 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3a7r s THR 42 N 0.00 0.06 -0.17 -3.53 2.01 -0.37 -1.73 115.64 111.91 3a7r s THR 42 Ca 0.00 -0.48 -0.02 0.00 0.31 0.00 0.00 61.69 61.51 3a7r s THR 42 Cb 0.00 -0.54 -0.01 0.00 0.01 0.00 0.00 72.50 71.96 3a7r s THR 42 CO 0.00 -0.26 -0.10 -0.69 -0.69 0.00 0.00 174.62 172.88 3a7r s VAL 43 N -1.17 3.09 -0.18 3.82 1.01 0.30 -0.67 120.40 126.58 3a7r s VAL 43 Ca -0.12 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 3a7r s VAL 43 Cb -0.05 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 3a7r s VAL 43 CO 0.03 0.49 0.00 -0.69 0.00 0.00 0.00 175.10 174.93 3a7r s VAL 44 N 0.89 4.10 0.23 2.92 1.01 -0.20 -1.12 120.40 128.23 3a7r s VAL 44 Ca -0.02 -0.27 0.09 0.00 0.00 0.00 0.00 61.98 61.78 3a7r s VAL 44 Cb -0.15 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 3a7r s VAL 44 CO 0.00 0.45 -0.04 0.27 0.00 0.00 0.00 175.10 175.78 3a7r s ILE 45 N 0.70 3.34 0.78 2.22 -4.36 0.06 -1.57 121.20 122.37 3a7r s ILE 45 Ca 0.00 -1.81 -0.11 0.00 -0.26 0.00 0.00 60.65 58.46 3a7r s ILE 45 Cb -0.14 -2.73 0.06 0.00 1.25 0.00 0.00 42.46 40.90 3a7r s ILE 45 CO 0.02 -0.26 1.10 -0.83 0.24 0.00 0.00 174.94 175.20 3a7r s GLY 46 N -3.32 1.63 0.38 6.27 0.00 -1.23 -1.38 107.32 109.67 3a7r s GLY 46 Ca 0.29 -0.22 0.11 0.00 0.00 0.00 0.00 44.72 44.89 3a7r s GLY 46 CO 0.18 0.19 1.91 -0.09 0.00 0.00 0.00 173.10 175.29 3a7r h ARG 47 N -1.00 0.59 -0.53 2.90 9.65 -0.85 -1.93 114.38 123.21 3a7r h ARG 47 Ca -0.47 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 58.32 3a7r h ARG 47 Cb 1.26 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 29.68 3a7r h ARG 47 CO 0.60 0.39 0.07 0.00 2.80 0.00 0.00 179.97 183.82 3a7r n ALA 48 N -2.47 3.86 -2.75 2.80 0.00 -1.26 -4.86 120.51 115.83 3a7r n ALA 48 Ca 0.14 -2.18 -0.27 0.00 0.00 0.00 0.00 53.44 51.14 3a7r n ALA 48 Cb 0.42 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 3a7r n ALA 48 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3a7r s GLN 49 N -2.87 3.52 -0.36 0.00 -0.21 -0.72 -1.87 119.66 117.14 3a7r s GLN 49 Ca 0.51 -0.34 -0.13 0.00 0.02 0.00 0.00 55.36 55.42 3a7r s GLN 49 Cb 0.41 -2.80 -0.00 0.00 1.00 0.00 0.00 33.01 31.61 3a7r s GLN 49 CO 0.13 0.36 0.25 1.21 -2.12 0.00 0.00 175.29 175.11 3a7r s ASN 50 N -3.32 6.00 0.21 5.90 3.84 -1.26 -4.33 114.94 121.97 3a7r s ASN 50 Ca 0.39 -0.63 -0.08 0.00 0.21 0.00 0.00 52.86 52.75 3a7r s ASN 50 Cb -0.11 -2.12 0.15 0.00 -0.55 0.00 0.00 41.25 38.62 3a7r s ASN 50 CO 0.30 -0.31 1.76 1.55 -2.79 0.00 0.00 177.10 177.60 3a7r h PRO 51 N 8.52 1.18 0.00 0.43 0.13 -1.89 -1.58 132.00 138.78 3a7r h PRO 51 Ca -0.30 -0.24 -0.06 0.00 -0.87 0.00 0.00 66.00 64.54 3a7r h PRO 51 Cb 1.14 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 3a7r h PRO 51 CO 0.67 0.98 -0.27 -1.49 -0.23 0.00 0.00 178.00 177.66 3a7r h TRP 52 N 1.14 0.00 0.02 1.56 6.55 -1.95 -0.92 115.95 122.35 3a7r h TRP 52 Ca 0.25 0.00 -0.24 0.00 0.95 0.00 0.00 58.89 59.85 3a7r h TRP 52 Cb 0.28 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.55 3a7r h TRP 52 CO 0.02 0.27 -1.25 -0.22 -1.05 0.00 0.00 178.44 176.22 3a7r h LYS 53 N 0.00 0.04 0.00 0.49 3.64 -1.87 -3.40 116.57 115.47 3a7r h LYS 53 Ca -0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3a7r h LYS 53 Cb 0.49 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3a7r h LYS 53 CO 0.04 0.90 -1.52 0.39 -2.27 0.00 0.00 179.45 176.98 3a7r n GLU 54 N -3.30 0.50 -3.92 1.90 -0.58 -0.63 -4.77 120.64 109.85 3a7r n GLU 54 Ca -0.06 -0.08 -0.09 0.00 -0.42 0.00 0.00 57.16 56.50 3a7r n GLU 54 Cb 0.98 -1.58 -0.06 0.00 -0.57 0.00 0.00 31.44 30.21 3a7r n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3a7r s ASN 56 N -2.96 6.95 0.51 0.00 3.84 0.71 -4.49 114.94 119.50 3a7r s ASN 56 Ca 0.17 -2.71 0.20 0.00 0.21 0.00 0.00 52.86 50.72 3a7r s ASN 56 Cb 0.01 -2.49 1.30 0.00 -0.55 0.00 0.00 41.25 39.52 3a7r s ASN 56 CO 0.02 -0.96 2.10 0.71 -2.79 0.00 0.00 177.10 176.18 3a7r h THR 57 N 5.13 0.90 0.18 -5.21 1.35 -1.84 -0.97 112.91 112.45 3a7r h THR 57 Ca 0.38 -0.29 -0.01 0.00 -0.55 0.00 0.00 66.41 65.94 3a7r h THR 57 Cb 0.87 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 3a7r h THR 57 CO 1.35 0.08 -0.08 -0.09 -0.25 0.00 0.00 175.52 176.53 3a7r h ARG 58 N 0.00 -0.23 -0.82 4.72 2.43 -1.87 -1.57 114.38 117.04 3a7r h ARG 58 Ca -0.00 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3a7r h ARG 58 Cb 0.16 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 3a7r h ARG 58 CO 0.01 0.13 0.54 0.00 -1.51 0.00 0.00 179.97 179.14 3a7r h ARG 59 N -0.63 1.05 -0.30 0.20 3.08 -1.83 -1.76 114.38 114.18 3a7r h ARG 59 Ca -0.02 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.00 3a7r h ARG 59 Cb 0.46 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 3a7r h ARG 59 CO 0.04 0.70 0.07 0.52 -1.07 0.00 0.00 179.97 180.23 3a7r h MET 60 N 1.08 0.19 -0.70 0.04 2.86 -1.16 -0.89 114.93 116.34 3a7r h MET 60 Ca 0.31 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.93 3a7r h MET 60 Cb -0.08 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 3a7r h MET 60 CO -0.08 0.12 0.40 1.49 1.06 0.00 0.00 176.91 179.90 3a7r h GLU 61 N 0.19 0.96 -0.98 1.72 4.81 -0.88 0.20 114.58 120.60 3a7r h GLU 61 Ca 0.14 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3a7r h GLU 61 Cb 0.14 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.27 3a7r h GLU 61 CO -0.17 0.71 0.64 0.93 -0.73 0.00 0.00 179.01 180.39 3a7r h GLU 62 N 0.95 1.29 -0.73 1.92 5.08 -1.01 -3.02 114.58 119.06 3a7r h GLU 62 Ca 0.25 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3a7r h GLU 62 Cb 0.01 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 28.97 3a7r h GLU 62 CO -0.04 0.86 0.00 -0.25 -1.00 0.00 0.00 179.01 178.58 3a7r n ASP 63 N -4.40 3.96 -3.81 1.42 8.00 -0.37 -4.94 116.55 116.41 3a7r n ASP 63 Ca 0.11 -2.00 -0.27 0.00 0.71 0.00 0.00 54.79 53.35 3a7r n ASP 63 Cb 0.02 -0.48 0.03 0.00 -0.02 0.00 0.00 41.12 40.66 3a7r n ASP 63 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a7r n ASN 64 N 1.66 -3.85 -4.67 -2.24 3.02 -0.16 -4.98 115.26 104.05 3a7r n ASN 64 Ca 0.25 -0.77 -0.40 0.00 -0.03 0.00 0.00 54.58 53.63 3a7r n ASN 64 Cb 0.63 -4.07 -0.06 0.00 -0.61 0.00 0.00 39.78 35.67 3a7r n ASN 64 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3a7r s VAL 65 N -3.41 5.04 0.15 2.41 1.01 0.51 -4.96 120.40 121.16 3a7r s VAL 65 Ca 0.45 1.16 -0.30 0.00 0.00 0.00 0.00 61.98 63.29 3a7r s VAL 65 Cb -0.22 -3.93 -0.07 0.00 0.00 0.00 0.00 36.38 32.16 3a7r s VAL 65 CO 0.81 0.14 1.03 -0.60 0.00 0.00 0.00 175.10 176.49 3a7r s ARG 66 N 1.72 4.66 -0.05 2.72 3.52 -0.70 -4.44 118.95 126.37 3a7r s ARG 66 Ca 0.28 1.59 -0.17 0.00 -0.13 0.00 0.00 55.73 57.30 3a7r s ARG 66 Cb -0.16 -3.32 -0.05 0.00 -1.56 0.00 0.00 34.95 29.86 3a7r s ARG 66 CO 0.11 0.17 0.47 -1.17 -0.81 0.00 0.00 175.30 174.06 3a7r s LEU 67 N -0.27 4.37 -0.06 -0.88 2.96 -1.26 -0.54 118.68 123.00 3a7r s LEU 67 Ca 0.48 0.93 0.00 0.00 -0.22 0.00 0.00 54.13 55.32 3a7r s LEU 67 Cb -0.27 -2.69 0.02 0.00 0.50 0.00 0.00 46.19 43.76 3a7r s LEU 67 CO 0.32 0.14 -0.04 0.00 -1.32 0.00 0.00 176.35 175.45 3a7r s ALA 68 N -0.15 0.83 -0.12 5.97 0.00 -0.28 -4.94 121.76 123.07 3a7r s ALA 68 Ca 0.26 -0.17 -0.21 0.00 0.00 0.00 0.00 51.96 51.83 3a7r s ALA 68 Cb -0.16 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 3a7r s ALA 68 CO 0.12 -0.17 0.61 0.50 0.00 0.00 0.00 175.76 176.83 3a7r s ARG 69 N 1.26 4.34 0.54 0.00 3.52 -1.26 -0.76 118.95 126.60 3a7r s ARG 69 Ca -0.05 0.68 0.05 0.00 -0.13 0.00 0.00 55.73 56.27 3a7r s ARG 69 Cb -0.14 -3.48 0.05 0.00 -1.56 0.00 0.00 34.95 29.82 3a7r s ARG 69 CO -0.02 -0.00 0.75 -0.98 -0.81 0.00 0.00 175.30 174.24 3a7r s ARG 70 N 1.10 2.45 0.05 5.12 1.70 -0.48 -4.92 118.95 123.96 3a7r s ARG 70 Ca 0.31 -1.14 0.23 0.00 -0.47 0.00 0.00 55.73 54.67 3a7r s ARG 70 Cb -0.16 -2.58 0.08 0.00 -0.57 0.00 0.00 34.95 31.72 3a7r s ARG 70 CO 0.13 -0.72 1.06 -1.13 -1.08 0.00 0.00 175.30 173.56 3a7r n SER 71 N -2.25 0.62 -4.61 -2.89 3.41 -1.26 -2.86 113.62 103.78 3a7r n SER 71 Ca 0.11 -0.21 -0.29 0.00 -0.26 0.00 0.00 58.87 58.22 3a7r n SER 71 Cb 0.60 0.74 0.12 0.00 -0.26 0.00 0.00 64.21 65.42 3a7r n SER 71 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3a7r s SER 72 N -3.88 4.01 0.73 4.04 1.04 -1.26 -4.68 113.70 113.70 3a7r s SER 72 Ca 0.04 0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.99 3a7r s SER 72 Cb 0.14 -0.85 0.00 0.00 0.10 0.00 0.00 66.02 65.41 3a7r s SER 72 CO 0.79 -2.18 0.00 0.61 0.98 0.00 0.00 173.24 173.44 3a7r n GLY 73 N -3.43 -1.11 4.20 7.32 0.00 -1.21 -0.86 105.19 110.11 3a7r n GLY 73 Ca 0.11 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3a7r n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a7r n GLY 74 N 4.85 -1.81 0.00 -0.02 0.00 -1.26 -4.56 105.19 102.39 3a7r n GLY 74 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 3a7r n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a7r n GLY 75 N 0.00 3.38 3.70 -0.02 0.00 -1.26 -3.54 105.19 107.46 3a7r n GLY 75 Ca 0.00 -2.11 -0.36 0.00 0.00 0.00 0.00 46.02 43.55 3a7r n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a7r s ALA 76 N -2.00 3.63 0.15 4.61 0.00 -1.26 -3.81 121.76 123.08 3a7r s ALA 76 Ca 0.00 -0.68 0.06 0.00 0.00 0.00 0.00 51.96 51.34 3a7r s ALA 76 Cb 0.00 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 3a7r s ALA 76 CO 0.00 0.01 -0.13 0.14 0.00 0.00 0.00 175.76 175.78 3a7r s VAL 77 N 0.66 1.37 -0.11 0.00 -7.23 -0.61 -4.97 120.40 109.51 3a7r s VAL 77 Ca 0.11 -1.95 -0.02 0.00 -1.81 0.00 0.00 61.98 58.31 3a7r s VAL 77 Cb -0.12 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 3a7r s VAL 77 CO 0.02 -0.57 -0.03 0.12 -0.31 0.00 0.00 175.10 174.33 3a7r s PHE 78 N -2.73 3.04 -0.08 2.82 5.36 -1.26 -1.03 117.98 124.09 3a7r s PHE 78 Ca 0.15 -0.06 0.05 0.00 -0.96 0.00 0.00 56.93 56.10 3a7r s PHE 78 Cb -0.01 -1.84 -0.01 0.00 -0.34 0.00 0.00 43.02 40.82 3a7r s PHE 78 CO 0.03 0.21 -0.24 -1.01 -1.46 0.00 0.00 175.22 172.76 3a7r s HIS 79 N -0.32 2.53 0.18 10.12 3.76 0.15 -4.99 115.29 126.72 3a7r s HIS 79 Ca 0.06 -0.88 0.02 0.00 -0.15 0.00 0.00 55.06 54.10 3a7r s HIS 79 Cb -0.12 -1.67 -0.01 0.00 1.11 0.00 0.00 32.58 31.89 3a7r s HIS 79 CO 0.02 -0.32 0.07 -0.40 -0.85 0.00 0.00 174.74 173.27 3a7r n ASP 80 N 3.27 0.90 0.21 1.40 5.68 -1.24 -1.24 116.55 125.53 3a7r n ASP 80 Ca -0.18 -2.00 0.14 0.00 -0.50 0.00 0.00 54.79 52.25 3a7r n ASP 80 Cb 0.53 0.51 0.72 0.00 -1.14 0.00 0.00 41.12 41.74 3a7r n ASP 80 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3a7r h LEU 81 N 0.00 0.00 0.00 -2.12 3.38 -1.93 -0.43 115.31 114.22 3a7r h LEU 81 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3a7r h LEU 81 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3a7r h LEU 81 CO 0.22 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.36 3a7r n GLY 82 N -0.95 -0.83 3.51 0.83 0.00 -1.26 -4.75 105.19 101.74 3a7r n GLY 82 Ca -0.01 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 3a7r n GLY 82 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3a7r s ASN 83 N -1.98 4.41 -0.06 1.61 2.47 -0.17 -0.88 114.94 120.33 3a7r s ASN 83 Ca 0.39 -0.13 0.04 0.00 0.42 0.00 0.00 52.86 53.58 3a7r s ASN 83 Cb 0.18 -1.24 -0.02 0.00 -1.45 0.00 0.00 41.25 38.72 3a7r s ASN 83 CO 0.30 0.30 -0.20 -0.89 -3.72 0.00 0.00 177.10 172.89 3a7r s THR 84 N -0.45 2.53 0.10 -5.21 2.01 -0.22 -4.58 115.64 109.82 3a7r s THR 84 Ca 0.06 -0.90 0.05 0.00 0.31 0.00 0.00 61.69 61.22 3a7r s THR 84 Cb -0.12 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 3a7r s THR 84 CO 0.02 0.57 -0.01 0.00 -0.69 0.00 0.00 174.62 174.51 3a7r s PHE 86 N -1.33 1.08 -0.06 0.00 -0.12 -0.59 -2.05 117.98 114.92 3a7r s PHE 86 Ca 0.25 -0.45 0.02 0.00 -0.05 0.00 0.00 56.93 56.71 3a7r s PHE 86 Cb -0.11 -0.62 0.01 0.00 -0.63 0.00 0.00 43.02 41.67 3a7r s PHE 86 CO 0.18 0.02 -0.12 0.99 -0.05 0.00 0.00 175.22 176.24 3a7r s THR 87 N -1.21 1.12 -0.17 -4.49 2.01 0.60 -1.49 115.64 112.00 3a7r s THR 87 Ca -0.03 -0.48 -0.01 0.00 0.31 0.00 0.00 61.69 61.47 3a7r s THR 87 Cb -0.10 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 71.39 3a7r s THR 87 CO 0.02 0.35 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.83 3a7r s PHE 88 N 0.58 2.87 0.13 4.92 0.08 0.10 -0.76 117.98 125.89 3a7r s PHE 88 Ca -0.13 -0.84 0.10 0.00 0.12 0.00 0.00 56.93 56.19 3a7r s PHE 88 Cb -0.15 -1.95 -0.04 0.00 -0.57 0.00 0.00 43.02 40.31 3a7r s PHE 88 CO 0.03 -0.38 -0.24 -1.64 -0.10 0.00 0.00 175.22 172.89 3a7r s MET 89 N 0.84 1.52 0.10 0.44 -1.94 -0.53 -0.80 119.30 118.94 3a7r s MET 89 Ca -0.03 -1.30 -0.24 0.00 -1.71 0.00 0.00 55.69 52.42 3a7r s MET 89 Cb -0.15 -1.97 0.06 0.00 2.01 0.00 0.00 34.83 34.79 3a7r s MET 89 CO 0.01 0.46 0.58 0.00 -0.01 0.00 0.00 175.02 176.06 3a7r s ALA 90 N -1.09 -1.52 0.63 3.03 0.00 -0.62 -1.74 121.76 120.45 3a7r s ALA 90 Ca 0.15 0.59 -0.14 0.00 0.00 0.00 0.00 51.96 52.56 3a7r s ALA 90 Cb -0.10 0.65 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 3a7r s ALA 90 CO 0.07 -0.65 1.06 0.20 0.00 0.00 0.00 175.76 176.44 3a7r s GLY 91 N -2.38 1.96 0.25 0.00 0.00 -1.25 -1.18 107.32 104.71 3a7r s GLY 91 Ca -0.02 0.28 -0.12 0.00 0.00 0.00 0.00 44.72 44.86 3a7r s GLY 91 CO -0.07 0.59 0.62 0.54 0.00 0.00 0.00 173.10 174.77 3a7r s LYS 92 N -4.42 3.91 0.00 2.90 1.02 -0.26 -0.23 119.74 122.65 3a7r s LYS 92 Ca 0.61 0.46 0.21 0.00 0.02 0.00 0.00 55.97 57.27 3a7r s LYS 92 Cb -0.15 -2.63 0.61 0.00 -0.52 0.00 0.00 37.83 35.14 3a7r s LYS 92 CO 0.43 0.29 1.48 -0.35 -0.92 0.00 0.00 175.35 176.29 3a7r n PRO 93 N -0.04 2.00 0.06 -1.68 -0.04 -1.26 -4.83 135.00 129.22 3a7r n PRO 93 Ca 0.01 -1.51 -0.03 0.00 -0.04 0.00 0.00 63.50 61.92 3a7r n PRO 93 Cb 0.52 -1.43 0.19 0.00 -0.04 0.00 0.00 33.50 32.75 3a7r n PRO 93 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3a7r h GLU 94 N 3.00 0.33 -6.34 0.54 4.81 -1.89 -3.45 114.58 111.58 3a7r h GLU 94 Ca 0.00 -0.16 -0.65 0.00 -0.13 0.00 0.00 59.36 58.42 3a7r h GLU 94 Cb 0.66 -0.00 0.06 0.00 0.63 0.00 0.00 28.75 30.09 3a7r h GLU 94 CO 0.00 0.68 0.51 0.98 -0.73 0.00 0.00 179.01 180.45 3a7r n TYR 95 N -4.03 1.67 -3.32 0.92 9.36 0.67 -4.96 117.16 117.47 3a7r n TYR 95 Ca -0.01 0.56 -0.00 0.00 3.32 0.00 0.00 57.90 61.76 3a7r n TYR 95 Cb 0.48 -2.37 -0.03 0.00 -0.63 0.00 0.00 39.34 36.78 3a7r n TYR 95 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3a7r s ASP 96 N 0.51 -1.00 0.40 2.98 2.15 -1.26 -4.96 116.67 115.50 3a7r s ASP 96 Ca 0.81 0.92 0.28 0.00 0.43 0.00 0.00 52.55 55.00 3a7r s ASP 96 Cb -0.87 1.97 1.42 0.00 -0.30 0.00 0.00 42.92 45.13 3a7r s ASP 96 CO 0.46 -0.26 1.84 0.07 -0.17 0.00 0.00 175.17 177.11 3a7r h LYS 97 N 8.04 0.00 -0.10 4.34 5.09 -1.96 -1.32 116.57 130.65 3a7r h LYS 97 Ca -0.21 0.00 -0.08 0.00 0.09 0.00 0.00 60.65 60.45 3a7r h LYS 97 Cb 1.14 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.46 3a7r h LYS 97 CO 0.22 0.00 -0.31 1.15 -2.09 0.00 0.00 179.45 178.42 3a7r h THR 98 N 0.00 1.26 -0.14 0.07 2.02 -1.99 -2.07 112.91 112.06 3a7r h THR 98 Ca 0.00 -1.22 -0.02 0.00 0.77 0.00 0.00 66.41 65.94 3a7r h THR 98 Cb 0.11 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3a7r h THR 98 CO 0.00 0.37 0.00 0.40 0.37 0.00 0.00 175.52 176.66 3a7r h ILE 99 N 0.17 1.25 -0.08 3.11 2.04 -1.66 -1.24 117.51 121.10 3a7r h ILE 99 Ca 0.02 -0.81 -0.13 0.00 1.00 0.00 0.00 64.86 64.94 3a7r h ILE 99 Cb 0.63 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 3a7r h ILE 99 CO 0.05 0.24 -0.54 0.77 0.00 0.00 0.00 178.15 178.66 3a7r h SER 100 N -0.00 0.27 -0.67 1.72 4.64 -1.65 -1.37 113.55 116.48 3a7r h SER 100 Ca 0.04 -0.14 0.01 0.00 -0.47 0.00 0.00 61.79 61.23 3a7r h SER 100 Cb 0.36 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 3a7r h SER 100 CO 0.01 0.76 0.44 0.74 -0.87 0.00 0.00 176.83 177.91 3a7r h THR 101 N 0.19 1.16 0.00 2.95 2.02 -1.22 -1.72 112.91 116.28 3a7r h THR 101 Ca 0.00 -0.31 -0.09 0.00 0.77 0.00 0.00 66.41 66.78 3a7r h THR 101 Cb 1.02 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3a7r h THR 101 CO 0.08 0.16 -0.44 0.77 0.37 0.00 0.00 175.52 176.46 3a7r h SER 102 N 0.90 0.00 -0.42 4.18 4.64 -0.60 -1.45 113.55 120.80 3a7r h SER 102 Ca 0.25 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.50 3a7r h SER 102 Cb -0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 3a7r h SER 102 CO -0.06 0.44 -0.02 0.40 -0.87 0.00 0.00 176.83 176.72 3a7r h ILE 103 N 0.00 1.26 -0.51 0.95 2.04 -0.78 -0.26 117.51 120.21 3a7r h ILE 103 Ca -0.00 -1.07 -0.09 0.00 1.00 0.00 0.00 64.86 64.70 3a7r h ILE 103 Cb 0.82 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 3a7r h ILE 103 CO 0.06 0.36 -0.04 0.58 0.00 0.00 0.00 178.15 179.12 3a7r h VAL 104 N 0.58 1.27 -0.76 1.67 2.07 -1.02 -0.75 116.25 119.30 3a7r h VAL 104 Ca 0.12 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 3a7r h VAL 104 Cb 0.52 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 3a7r h VAL 104 CO 0.03 0.40 0.44 -0.07 0.02 0.00 0.00 177.57 178.39 3a7r h LEU 105 N 0.80 0.93 -0.64 2.57 3.38 -1.13 -0.06 115.31 121.15 3a7r h LEU 105 Ca 0.14 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 3a7r h LEU 105 Cb 0.57 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3a7r h LEU 105 CO 0.03 0.72 -0.08 0.78 0.09 0.00 0.00 178.44 179.99 3a7r h ASN 106 N 1.06 0.98 -0.47 -0.43 2.35 -0.69 0.31 115.58 118.69 3a7r h ASN 106 Ca 0.27 -0.31 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 3a7r h ASN 106 Cb -0.02 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 3a7r h ASN 106 CO -0.05 1.08 0.20 0.00 -1.65 0.00 0.00 177.43 177.01 3a7r h ALA 107 N 1.01 0.60 -0.45 -0.83 0.00 -0.65 -0.30 119.26 118.64 3a7r h ALA 107 Ca 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3a7r h ALA 107 Cb 0.63 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3a7r h ALA 107 CO 0.04 0.20 0.20 -0.07 0.00 0.00 0.00 179.25 179.62 3a7r h LEU 108 N 0.61 0.60 -0.65 0.00 3.38 -0.80 -2.12 115.31 116.33 3a7r h LEU 108 Ca 0.16 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.08 3a7r h LEU 108 Cb 0.17 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 3a7r h LEU 108 CO -0.01 0.58 0.28 -1.13 0.09 0.00 0.00 178.44 178.24 3a7r h ASN 109 N 0.58 0.33 0.17 -0.43 -1.24 -0.42 0.77 115.58 115.34 3a7r h ASN 109 Ca 0.15 0.07 -0.01 0.00 0.71 0.00 0.00 56.30 57.22 3a7r h ASN 109 Cb 0.15 0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.22 3a7r h ASN 109 CO -0.02 0.19 -0.06 0.00 -1.29 0.00 0.00 177.43 176.26 3a7r h ALA 110 N 1.42 1.40 -0.00 1.57 0.00 -0.44 -0.50 119.26 122.71 3a7r h ALA 110 Ca 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3a7r h ALA 110 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3a7r h ALA 110 CO -0.29 0.07 -0.45 1.28 0.00 0.00 0.00 179.25 179.87 3a7r n LEU 111 N -3.73 0.47 0.00 0.00 4.77 -0.62 -4.92 117.00 112.96 3a7r n LEU 111 Ca -0.02 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3a7r n LEU 111 Cb 0.15 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3a7r n LEU 111 CO 0.28 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3a7r n GLY 112 N 1.49 1.19 3.31 -0.72 0.00 -0.19 -5.06 105.19 105.22 3a7r n GLY 112 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3a7r n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a7r s VAL 113 N -2.00 2.66 -0.37 1.61 1.01 0.17 -4.99 120.40 118.49 3a7r s VAL 113 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 3a7r s VAL 113 Cb 0.00 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.31 3a7r s VAL 113 CO 0.00 0.54 0.23 -0.55 0.00 0.00 0.00 175.10 175.32 3a7r s SER 114 N 0.33 5.88 0.31 3.32 0.15 -1.26 -2.17 113.70 120.26 3a7r s SER 114 Ca -0.14 -0.82 0.07 0.00 0.70 0.00 0.00 55.95 55.76 3a7r s SER 114 Cb -0.17 -2.08 -0.06 0.00 -1.71 0.00 0.00 66.02 62.00 3a7r s SER 114 CO 0.07 -0.36 -0.04 0.00 1.20 0.00 0.00 173.24 174.11 3a7r s ALA 115 N 1.63 2.52 0.09 5.45 0.00 -1.26 -4.49 121.76 125.70 3a7r s ALA 115 Ca 0.04 -1.99 -0.12 0.00 0.00 0.00 0.00 51.96 49.89 3a7r s ALA 115 Cb -0.19 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.15 3a7r s ALA 115 CO 0.08 -0.08 0.27 -1.83 0.00 0.00 0.00 175.76 174.20 3a7r s GLU 116 N -3.73 0.90 0.40 0.00 -1.05 -0.62 -4.96 118.70 109.64 3a7r s GLU 116 Ca 0.31 -0.81 -0.25 0.00 -0.15 0.00 0.00 54.97 54.07 3a7r s GLU 116 Cb 0.05 0.38 -0.08 0.00 -0.44 0.00 0.00 34.13 34.03 3a7r s GLU 116 CO 0.14 -0.31 1.20 0.00 0.95 0.00 0.00 175.26 177.24 3a7r s ALA 117 N -3.62 3.17 -0.04 -0.84 0.00 -1.26 -0.98 121.76 118.19 3a7r s ALA 117 Ca 0.03 1.02 -0.01 0.00 0.00 0.00 0.00 51.96 53.00 3a7r s ALA 117 Cb 0.03 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.78 3a7r s ALA 117 CO -0.10 -0.59 0.03 0.45 0.00 0.00 0.00 175.76 175.55 3a7r s SER 118 N -1.05 0.98 0.48 0.00 0.15 0.23 -4.85 113.70 109.64 3a7r s SER 118 Ca 0.57 0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.24 3a7r s SER 118 Cb -0.32 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 63.77 3a7r s SER 118 CO 0.41 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.26 3a7r n GLY 119 N 4.89 1.36 0.08 9.45 0.00 -1.26 -2.14 105.19 117.58 3a7r n GLY 119 Ca -0.12 -0.70 -0.07 0.00 0.00 0.00 0.00 46.02 45.13 3a7r n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a7r n ARG 120 N 10.46 0.63 0.00 1.61 1.74 -1.26 -4.67 116.66 125.17 3a7r n ARG 120 Ca 0.00 0.28 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 3a7r n ARG 120 Cb 0.00 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 29.65 3a7r n ARG 120 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3a7r n ASN 121 N -3.01 0.20 -4.89 0.55 6.94 -1.24 -5.01 115.26 108.79 3a7r n ASN 121 Ca -0.16 -1.04 -0.28 0.00 -0.02 0.00 0.00 54.58 53.09 3a7r n ASN 121 Cb 1.02 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 38.39 3a7r n ASN 121 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 3a7r s ASP 122 N -0.04 6.06 -0.09 0.53 1.01 -0.91 -1.01 116.67 122.22 3a7r s ASP 122 Ca 0.00 0.10 0.01 0.00 0.71 0.00 0.00 52.55 53.37 3a7r s ASP 122 Cb 0.00 -1.76 -0.02 0.00 1.01 0.00 0.00 42.92 42.15 3a7r s ASP 122 CO 0.00 0.09 -0.12 -0.76 0.21 0.00 0.00 175.17 174.59 3a7r s LEU 123 N -2.95 2.83 0.06 1.23 1.43 -0.77 -0.60 118.68 119.91 3a7r s LEU 123 Ca 0.33 -0.21 0.07 0.00 -1.03 0.00 0.00 54.13 53.29 3a7r s LEU 123 Cb -0.11 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 3a7r s LEU 123 CO 0.26 0.27 -0.19 0.68 0.23 0.00 0.00 176.35 177.61 3a7r s VAL 124 N -0.26 1.50 0.21 -1.59 -7.23 -0.15 -1.48 120.40 111.40 3a7r s VAL 124 Ca 0.02 -1.25 0.09 0.00 -1.81 0.00 0.00 61.98 59.03 3a7r s VAL 124 Cb -0.13 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 3a7r s VAL 124 CO 0.03 0.05 -0.03 0.68 -0.31 0.00 0.00 175.10 175.53 3a7r s VAL 125 N -0.94 3.49 0.18 1.32 -7.23 -0.33 -1.59 120.40 115.29 3a7r s VAL 125 Ca 0.05 -1.66 -0.24 0.00 -1.81 0.00 0.00 61.98 58.32 3a7r s VAL 125 Cb -0.09 -2.79 -0.08 0.00 0.56 0.00 0.00 36.38 33.98 3a7r s VAL 125 CO 0.02 -0.21 0.76 -0.54 -0.31 0.00 0.00 175.10 174.83 3a7r s LYS 126 N -3.19 4.48 0.17 4.82 1.02 -1.26 -0.85 119.74 124.93 3a7r s LYS 126 Ca 0.28 1.08 -0.03 0.00 0.02 0.00 0.00 55.97 57.31 3a7r s LYS 126 Cb -0.08 -3.15 -0.03 0.00 -0.52 0.00 0.00 37.83 34.05 3a7r s LYS 126 CO 0.18 0.52 0.16 0.95 -0.92 0.00 0.00 175.35 176.24 3a7r s THR 127 N -1.25 0.05 0.20 2.17 -4.23 -1.12 -4.93 115.64 106.52 3a7r s THR 127 Ca 0.38 -1.81 0.28 0.00 -1.18 0.00 0.00 61.69 59.35 3a7r s THR 127 Cb -0.21 -2.19 0.28 0.00 1.34 0.00 0.00 72.50 71.72 3a7r s THR 127 CO 0.24 -0.23 1.83 -0.37 -0.54 0.00 0.00 174.62 175.56 3a7r h VAL 128 N 2.67 0.00 -0.20 2.29 -1.51 -2.02 -0.32 116.25 117.15 3a7r h VAL 128 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 3a7r h VAL 128 Cb 1.23 0.61 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 3a7r h VAL 128 CO 0.53 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 176.25 3a7r n GLU 129 N -2.53 2.01 0.00 5.19 -0.58 -1.26 -5.08 120.64 118.39 3a7r n GLU 129 Ca -0.02 -1.90 0.00 0.00 -0.42 0.00 0.00 57.16 54.83 3a7r n GLU 129 Cb 0.14 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 3a7r n GLU 129 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a7r n GLY 130 N 1.14 1.41 3.76 0.62 0.00 -0.13 -5.03 105.19 106.96 3a7r n GLY 130 Ca 0.14 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 3a7r n GLY 130 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a7r s ASP 131 N 0.00 6.70 -0.01 1.61 1.01 -1.26 -2.80 116.67 121.92 3a7r s ASP 131 Ca 0.00 2.71 0.05 0.00 0.71 0.00 0.00 52.55 56.02 3a7r s ASP 131 Cb 0.00 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.28 3a7r s ASP 131 CO 0.00 -0.61 -0.15 -0.13 0.21 0.00 0.00 175.17 174.48 3a7r s ARG 132 N -1.37 1.24 -0.11 8.23 1.81 -0.03 -4.89 118.95 123.82 3a7r s ARG 132 Ca 0.52 -0.56 -0.30 0.00 -1.72 0.00 0.00 55.73 53.68 3a7r s ARG 132 Cb -0.41 -1.20 -0.02 0.00 -0.45 0.00 0.00 34.95 32.87 3a7r s ARG 132 CO 0.51 0.33 1.17 0.21 -0.68 0.00 0.00 175.30 176.83 3a7r s LYS 133 N -0.40 4.32 0.00 3.54 2.20 -0.24 -1.19 119.74 127.97 3a7r s LYS 133 Ca 0.06 1.59 0.10 0.00 -0.36 0.00 0.00 55.97 57.35 3a7r s LYS 133 Cb -0.06 -3.62 -0.02 0.00 -1.51 0.00 0.00 37.83 32.62 3a7r s LYS 133 CO -0.01 -0.52 0.60 1.33 -0.36 0.00 0.00 175.35 176.39 3a7r n VAL 134 N 4.90 0.00 -3.72 4.02 0.24 -0.55 -1.88 118.33 121.34 3a7r n VAL 134 Ca 0.12 -0.38 -0.12 0.00 -2.04 0.00 0.00 64.34 61.91 3a7r n VAL 134 Cb 0.46 1.10 -0.10 0.00 -1.47 0.00 0.00 33.84 33.83 3a7r n VAL 134 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3a7r s SER 135 N -1.41 -0.47 0.04 -1.34 0.15 -1.17 -0.88 113.70 108.63 3a7r s SER 135 Ca 0.08 0.88 0.09 0.00 0.70 0.00 0.00 55.95 57.69 3a7r s SER 135 Cb 0.08 0.85 -0.03 0.00 -1.71 0.00 0.00 66.02 65.21 3a7r s SER 135 CO 0.26 -0.16 -0.24 -0.83 1.20 0.00 0.00 173.24 173.47 3a7r s GLY 136 N 0.55 1.29 0.23 9.45 0.00 -1.25 -1.85 107.32 115.75 3a7r s GLY 136 Ca -0.03 -1.19 0.10 0.00 0.00 0.00 0.00 44.72 43.61 3a7r s GLY 136 CO -0.03 -1.09 -0.18 -0.56 0.00 0.00 0.00 173.10 171.24 3a7r s SER 137 N -1.21 3.13 0.17 1.64 0.01 -0.18 -1.41 113.70 115.85 3a7r s SER 137 Ca 0.10 -0.99 -0.11 0.00 1.31 0.00 0.00 55.95 56.26 3a7r s SER 137 Cb -0.10 -0.22 -0.00 0.00 0.21 0.00 0.00 66.02 65.91 3a7r s SER 137 CO 0.02 -0.03 0.34 0.00 0.41 0.00 0.00 173.24 173.98 3a7r s ALA 138 N -2.54 -0.22 0.04 1.44 0.00 0.12 -4.84 121.76 115.75 3a7r s ALA 138 Ca 0.25 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.49 3a7r s ALA 138 Cb -0.04 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.91 3a7r s ALA 138 CO 0.11 -0.69 -0.06 0.71 0.00 0.00 0.00 175.76 175.84 3a7r s TYR 139 N -3.95 0.50 -0.01 0.00 2.02 -1.26 -1.58 117.35 113.07 3a7r s TYR 139 Ca 0.15 -0.56 -0.01 0.00 -0.37 0.00 0.00 57.07 56.28 3a7r s TYR 139 Cb 0.02 -0.32 0.00 0.00 -0.40 0.00 0.00 41.96 41.27 3a7r s TYR 139 CO -0.01 -0.14 0.03 0.50 -1.57 0.00 0.00 175.55 174.36 3a7r s ARG 140 N -1.75 0.04 0.04 -0.62 3.52 -0.73 -3.33 118.95 116.12 3a7r s ARG 140 Ca -0.11 0.05 0.04 0.00 -0.13 0.00 0.00 55.73 55.58 3a7r s ARG 140 Cb -0.08 0.02 -0.02 0.00 -1.56 0.00 0.00 34.95 33.30 3a7r s ARG 140 CO -0.01 -0.01 -0.12 -1.21 -0.81 0.00 0.00 175.30 173.15 3a7r s GLU 141 N 0.03 0.77 0.00 5.12 2.02 -1.26 -0.46 118.70 124.92 3a7r s GLU 141 Ca -0.00 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.30 3a7r s GLU 141 Cb -0.00 -0.72 0.00 0.00 0.10 0.00 0.00 34.13 33.50 3a7r s GLU 141 CO -0.00 0.17 0.00 0.25 0.02 0.00 0.00 175.26 175.70 3a7r n THR 142 N 1.92 0.00 0.24 3.63 -2.24 0.20 -5.00 114.28 113.03 3a7r n THR 142 Ca -0.18 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.67 3a7r n THR 142 Cb 0.55 -0.13 0.59 0.00 -2.10 0.00 0.00 70.33 69.24 3a7r n THR 142 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3a7r h LYS 143 N 0.00 0.00 0.00 -0.78 2.10 -2.03 -3.32 116.57 112.54 3a7r h LYS 143 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3a7r h LYS 143 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3a7r h LYS 143 CO 0.00 0.13 0.00 -0.40 -2.00 0.00 0.00 179.45 177.18 3a7r n ASP 144 N -4.23 1.15 -3.57 7.07 5.75 -1.26 -4.89 116.55 116.58 3a7r n ASP 144 Ca -0.03 -1.50 -0.08 0.00 -0.01 0.00 0.00 54.79 53.17 3a7r n ASP 144 Cb 0.20 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.28 3a7r n ASP 144 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a7r s ARG 145 N -0.50 1.17 0.10 0.11 1.70 -1.25 -1.10 118.95 119.17 3a7r s ARG 145 Ca 0.00 -0.51 -0.06 0.00 -0.47 0.00 0.00 55.73 54.69 3a7r s ARG 145 Cb 0.00 0.48 -0.02 0.00 -0.57 0.00 0.00 34.95 34.84 3a7r s ARG 145 CO 0.00 -0.52 0.13 0.20 -1.08 0.00 0.00 175.30 174.03 3a7r s GLY 146 N -2.71 0.38 0.04 3.88 0.00 -0.33 -0.63 107.32 107.96 3a7r s GLY 146 Ca 0.06 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.85 3a7r s GLY 146 CO -0.06 -1.03 -0.07 -0.11 0.00 0.00 0.00 173.10 171.83 3a7r s PHE 147 N -3.92 0.59 -0.20 1.90 -0.12 0.39 -1.59 117.98 115.03 3a7r s PHE 147 Ca 0.10 -0.55 0.01 0.00 -0.05 0.00 0.00 56.93 56.45 3a7r s PHE 147 Cb 0.06 -0.36 0.03 0.00 -0.63 0.00 0.00 43.02 42.12 3a7r s PHE 147 CO -0.07 -0.12 -0.16 -1.58 -0.05 0.00 0.00 175.22 173.24 3a7r s HIS 148 N -1.60 2.81 0.14 3.49 5.65 0.02 -1.77 115.29 124.03 3a7r s HIS 148 Ca -0.10 -1.78 0.11 0.00 0.25 0.00 0.00 55.06 53.54 3a7r s HIS 148 Cb -0.09 -1.86 -0.04 0.00 -1.18 0.00 0.00 32.58 29.41 3a7r s HIS 148 CO -0.00 -0.81 -0.26 -3.38 -0.65 0.00 0.00 174.74 169.64 3a7r s HIS 149 N 1.27 2.25 0.33 3.88 -3.43 -0.62 -0.72 115.29 118.26 3a7r s HIS 149 Ca 0.01 -0.38 -0.15 0.00 -0.80 0.00 0.00 55.06 53.73 3a7r s HIS 149 Cb -0.15 -1.20 0.03 0.00 -1.43 0.00 0.00 32.58 29.83 3a7r s HIS 149 CO -0.10 0.35 0.70 0.20 -2.00 0.00 0.00 174.74 173.89 3a7r s GLY 150 N -2.15 0.40 0.35 -1.38 0.00 -0.56 -0.71 107.32 103.27 3a7r s GLY 150 Ca 0.14 -0.73 0.08 0.00 0.00 0.00 0.00 44.72 44.21 3a7r s GLY 150 CO 0.06 -0.37 0.09 -0.51 0.00 0.00 0.00 173.10 172.37 3a7r s THR 151 N -3.05 2.79 -0.04 0.90 -4.23 -0.50 -1.55 115.64 109.96 3a7r s THR 151 Ca 0.17 -1.82 -0.00 0.00 -1.18 0.00 0.00 61.69 58.86 3a7r s THR 151 Cb -0.04 -2.90 0.03 0.00 1.34 0.00 0.00 72.50 70.92 3a7r s THR 151 CO 0.11 -0.18 0.00 -0.76 -0.54 0.00 0.00 174.62 173.26 3a7r s LEU 152 N -3.79 0.98 -0.58 4.79 1.43 0.11 -3.96 118.68 117.66 3a7r s LEU 152 Ca 0.37 -0.03 -0.24 0.00 -1.03 0.00 0.00 54.13 53.20 3a7r s LEU 152 Cb -0.01 -0.26 0.05 0.00 0.03 0.00 0.00 46.19 46.00 3a7r s LEU 152 CO 0.21 -0.13 0.95 -0.76 0.23 0.00 0.00 176.35 176.85 3a7r s LEU 153 N 1.27 4.15 -0.17 1.79 1.43 -0.05 -1.05 118.68 126.04 3a7r s LEU 153 Ca -0.06 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.41 3a7r s LEU 153 Cb -0.13 -2.73 -0.08 0.00 0.03 0.00 0.00 46.19 43.28 3a7r s LEU 153 CO -0.02 -1.28 -0.13 0.18 0.23 0.00 0.00 176.35 175.33 3a7r n LEU 154 N 7.54 1.85 -2.75 1.79 4.32 -0.06 -0.38 117.00 129.31 3a7r n LEU 154 Ca 0.00 0.52 -0.02 0.00 -0.02 0.00 0.00 56.01 56.49 3a7r n LEU 154 Cb 0.47 -0.87 0.08 0.00 -1.62 0.00 0.00 43.42 41.48 3a7r n LEU 154 CO 0.64 -0.19 0.26 -3.20 -1.22 0.00 0.00 177.39 173.68 3a7r n ASN 155 N -4.52 0.15 -4.77 -1.43 5.15 -0.38 -1.42 115.26 108.04 3a7r n ASN 155 Ca -0.17 -2.19 -0.35 0.00 -0.60 0.00 0.00 54.58 51.26 3a7r n ASN 155 Cb 0.45 0.07 0.02 0.00 -0.53 0.00 0.00 39.78 39.78 3a7r n ASN 155 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3a7r s ALA 156 N -1.96 2.62 -0.64 5.20 0.00 -1.16 -4.34 121.76 121.49 3a7r s ALA 156 Ca 0.20 0.79 -0.27 0.00 0.00 0.00 0.00 51.96 52.68 3a7r s ALA 156 Cb 0.39 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 20.16 3a7r s ALA 156 CO -0.07 -0.93 1.38 0.34 0.00 0.00 0.00 175.76 176.48 3a7r s ASP 157 N -1.92 6.09 0.38 0.00 -1.08 -1.26 -4.84 116.67 114.04 3a7r s ASP 157 Ca 0.72 -0.02 0.21 0.00 -0.52 0.00 0.00 52.55 52.94 3a7r s ASP 157 Cb -0.24 -2.55 0.45 0.00 -1.46 0.00 0.00 42.92 39.12 3a7r s ASP 157 CO 0.31 -1.80 1.63 -0.07 0.52 0.00 0.00 175.17 175.75 3a7r h LEU 158 N 13.27 0.00 -0.75 -1.34 3.38 -1.99 -1.27 115.31 126.62 3a7r h LEU 158 Ca -0.27 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.59 3a7r h LEU 158 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3a7r h LEU 158 CO 1.22 0.27 -0.21 -1.28 0.09 0.00 0.00 178.44 178.53 3a7r h SER 159 N 0.00 0.73 -0.13 -0.43 0.87 -2.00 -1.96 113.55 110.63 3a7r h SER 159 Ca -0.00 -0.25 -0.19 0.00 -1.23 0.00 0.00 61.79 60.11 3a7r h SER 159 Cb 1.06 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 3a7r h SER 159 CO 0.04 0.93 -0.62 0.03 -0.53 0.00 0.00 176.83 176.68 3a7r h ARG 160 N 0.64 0.74 -0.37 2.24 3.08 -1.86 -1.71 114.38 117.15 3a7r h ARG 160 Ca 0.09 -0.51 0.06 0.00 0.07 0.00 0.00 59.98 59.69 3a7r h ARG 160 Cb 0.70 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.77 3a7r h ARG 160 CO 0.05 1.13 0.03 1.25 -1.07 0.00 0.00 179.97 181.37 3a7r h LEU 161 N 0.55 -0.08 -0.35 3.04 6.46 -1.17 -1.15 115.31 122.61 3a7r h LEU 161 Ca -0.01 0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 3a7r h LEU 161 Cb 1.22 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.25 3a7r h LEU 161 CO 0.13 -0.00 0.08 0.00 -0.62 0.00 0.00 178.44 178.03 3a7r h ALA 162 N 1.30 0.46 -0.33 1.25 0.00 -1.23 -2.67 119.26 118.05 3a7r h ALA 162 Ca 0.18 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3a7r h ALA 162 Cb 0.23 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 3a7r h ALA 162 CO -0.27 0.12 -0.03 -0.97 0.00 0.00 0.00 179.25 178.11 3a7r h ASN 163 N 0.41 -0.19 1.16 0.00 -1.24 -0.82 -2.13 115.58 112.77 3a7r h ASN 163 Ca 0.11 0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.20 3a7r h ASN 163 Cb 0.30 0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.50 3a7r h ASN 163 CO 0.00 -0.06 -0.22 -1.22 -1.29 0.00 0.00 177.43 174.64 3a7r n TYR 164 N -5.20 0.63 -0.38 0.67 4.01 -0.48 -3.14 117.16 113.27 3a7r n TYR 164 Ca 0.01 0.18 0.10 0.00 -0.16 0.00 0.00 57.90 58.03 3a7r n TYR 164 Cb 0.17 -0.75 0.29 0.00 -0.31 0.00 0.00 39.34 38.75 3a7r n TYR 164 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3a7r n LEU 165 N -2.06 3.86 -4.11 7.72 4.77 -1.01 -0.21 117.00 125.97 3a7r n LEU 165 Ca 0.05 -2.07 -0.37 0.00 -0.03 0.00 0.00 56.01 53.59 3a7r n LEU 165 Cb 0.41 -0.45 -0.09 0.00 -2.33 0.00 0.00 43.42 40.96 3a7r n LEU 165 CO 0.32 0.91 0.07 0.21 -1.33 0.00 0.00 177.39 177.57 3a7r s ASN 166 N -1.00 5.35 0.73 -1.43 2.47 -0.83 -4.72 114.94 115.51 3a7r s ASN 166 Ca 0.44 -2.86 -0.13 0.00 0.42 0.00 0.00 52.86 50.74 3a7r s ASN 166 Cb 0.24 -1.88 0.04 0.00 -1.45 0.00 0.00 41.25 38.20 3a7r s ASN 166 CO 0.28 -0.38 1.11 -2.16 -3.72 0.00 0.00 177.10 172.23 3a7r s PRO 167 N -0.07 2.40 0.59 0.43 0.04 -1.26 -4.35 135.00 132.78 3a7r s PRO 167 Ca 0.17 1.32 -0.20 0.00 0.04 0.00 0.00 61.00 62.33 3a7r s PRO 167 Cb -0.19 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 3a7r s PRO 167 CO -0.04 -1.55 1.28 -0.51 0.04 0.00 0.00 177.00 176.23 3a7r s ASP 168 N -2.93 5.06 -0.09 6.66 1.01 -1.26 -4.93 116.67 120.19 3a7r s ASP 168 Ca 0.65 2.59 -0.30 0.00 0.71 0.00 0.00 52.55 56.20 3a7r s ASP 168 Cb -0.20 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.07 3a7r s ASP 168 CO 0.49 -1.69 1.60 -0.75 0.21 0.00 0.00 175.17 175.03 3a7r s LYS 169 N -3.18 4.14 0.00 8.23 2.47 -1.26 -4.99 119.74 125.16 3a7r s LYS 169 Ca 0.77 2.06 -0.02 0.00 -1.56 0.00 0.00 55.97 57.22 3a7r s LYS 169 Cb -0.36 -3.96 -0.01 0.00 -1.46 0.00 0.00 37.83 32.04 3a7r s LYS 169 CO 0.40 -0.88 0.02 0.15 0.16 0.00 0.00 175.35 175.21 3a7r s LYS 170 N 4.04 0.24 -1.26 4.03 1.02 -1.26 -5.08 119.74 121.47 3a7r s LYS 170 Ca 0.71 -0.32 -0.15 0.00 0.02 0.00 0.00 55.97 56.23 3a7r s LYS 170 Cb -0.31 0.09 0.13 0.00 -0.52 0.00 0.00 37.83 37.23 3a7r s LYS 170 CO 0.27 -0.04 1.62 1.63 -0.92 0.00 0.00 175.35 177.91 3a7r n LYS 171 N 2.12 3.32 -4.21 1.68 5.02 -1.26 -4.93 118.16 119.90 3a7r n LYS 171 Ca -0.19 -3.58 -0.34 0.00 -2.02 0.00 0.00 58.31 52.18 3a7r n LYS 171 Cb 0.57 -3.18 -0.13 0.00 -0.02 0.00 0.00 35.03 32.27 3a7r n LYS 171 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3a7r s LEU 172 N 2.21 3.21 -0.49 -0.35 1.43 -1.26 -1.51 118.68 121.92 3a7r s LEU 172 Ca 0.46 -0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 53.27 3a7r s LEU 172 Cb 0.01 -1.80 0.12 0.00 0.03 0.00 0.00 46.19 44.56 3a7r s LEU 172 CO 0.02 0.10 0.37 0.00 0.23 0.00 0.00 176.35 177.07 3a7r s ALA 173 N 0.77 3.44 -0.09 4.21 0.00 -0.34 -4.97 121.76 124.78 3a7r s ALA 173 Ca -0.01 -2.59 0.04 0.00 0.00 0.00 0.00 51.96 49.40 3a7r s ALA 173 Cb -0.14 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.11 3a7r s ALA 173 CO 0.02 -1.93 -0.22 0.00 0.00 0.00 0.00 175.76 173.63 3a7r s ALA 174 N 1.28 2.02 0.61 0.00 0.00 -1.26 -1.39 121.76 123.03 3a7r s ALA 174 Ca 0.06 -0.88 -0.17 0.00 0.00 0.00 0.00 51.96 50.98 3a7r s ALA 174 Cb -0.26 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 3a7r s ALA 174 CO -0.01 0.26 1.11 0.15 0.00 0.00 0.00 175.76 177.28 3a7r s LYS 175 N 0.38 3.04 0.00 0.00 1.02 -0.91 -5.00 119.74 118.27 3a7r s LYS 175 Ca -0.18 1.44 0.00 0.00 0.02 0.00 0.00 55.97 57.25 3a7r s LYS 175 Cb -0.18 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 3a7r s LYS 175 CO 0.08 -1.07 0.00 0.41 -0.92 0.00 0.00 175.35 173.85 3a7r n GLY 176 N -0.34 0.96 3.75 -3.33 0.00 -1.26 -4.52 105.19 100.44 3a7r n GLY 176 Ca 0.11 -2.16 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 3a7r n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a7r s ILE 177 N -1.01 5.03 0.03 -0.61 -1.09 -0.78 -5.00 121.20 117.77 3a7r s ILE 177 Ca 0.00 1.14 -0.01 0.00 -2.23 0.00 0.00 60.65 59.55 3a7r s ILE 177 Cb 0.00 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 3a7r s ILE 177 CO 0.00 0.38 0.19 0.42 -1.23 0.00 0.00 174.94 174.69 3a7r s THR 178 N 0.15 5.35 0.54 2.92 -4.23 -1.26 -4.58 115.64 114.53 3a7r s THR 178 Ca 0.30 -0.31 -0.20 0.00 -1.18 0.00 0.00 61.69 60.30 3a7r s THR 178 Cb -0.17 -3.56 -0.06 0.00 1.34 0.00 0.00 72.50 70.06 3a7r s THR 178 CO 0.15 0.22 1.13 -0.44 -0.54 0.00 0.00 174.62 175.14 3a7r s SER 179 N -2.24 5.71 -0.38 3.99 0.01 -1.26 -4.78 113.70 114.75 3a7r s SER 179 Ca 0.31 2.19 -0.11 0.00 1.31 0.00 0.00 55.95 59.65 3a7r s SER 179 Cb -0.13 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.55 3a7r s SER 179 CO 0.23 -1.22 0.22 -0.69 0.41 0.00 0.00 173.24 172.19 3a7r s VAL 180 N -1.76 4.60 0.34 3.43 1.01 -1.26 -5.03 120.40 121.74 3a7r s VAL 180 Ca 0.73 -0.90 -0.26 0.00 0.00 0.00 0.00 61.98 61.54 3a7r s VAL 180 Cb -0.24 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 3a7r s VAL 180 CO 0.27 -0.28 1.03 -0.13 0.00 0.00 0.00 175.10 175.99 3a7r s ARG 181 N 1.55 4.42 0.20 2.72 0.52 -1.26 -5.03 118.95 122.07 3a7r s ARG 181 Ca 0.02 1.53 0.00 0.00 -0.52 0.00 0.00 55.73 56.76 3a7r s ARG 181 Cb -0.20 -2.79 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 3a7r s ARG 181 CO 0.07 0.08 0.08 -1.12 0.02 0.00 0.00 175.30 174.43 3a7r s SER 182 N -1.40 0.64 0.02 0.23 0.01 -1.26 -5.14 113.70 106.80 3a7r s SER 182 Ca 0.52 -1.31 -0.23 0.00 1.31 0.00 0.00 55.95 56.24 3a7r s SER 182 Cb -0.24 0.26 -0.05 0.00 0.21 0.00 0.00 66.02 66.20 3a7r s SER 182 CO 0.30 -0.74 0.70 -0.13 0.41 0.00 0.00 173.24 173.77 3a7r s ARG 183 N -4.06 4.43 0.35 12.44 0.52 -1.26 -4.96 118.95 126.40 3a7r s ARG 183 Ca 0.33 0.93 0.09 0.00 -0.52 0.00 0.00 55.73 56.56 3a7r s ARG 183 Cb 0.07 -3.36 -0.05 0.00 0.52 0.00 0.00 34.95 32.13 3a7r s ARG 183 CO 0.09 0.31 0.03 0.14 0.02 0.00 0.00 175.30 175.89 3a7r s VAL 184 N -0.09 2.57 0.16 3.52 -7.23 -1.26 -1.08 120.40 117.00 3a7r s VAL 184 Ca 0.36 -1.94 -0.10 0.00 -1.81 0.00 0.00 61.98 58.48 3a7r s VAL 184 Cb -0.20 -2.83 -0.00 0.00 0.56 0.00 0.00 36.38 33.91 3a7r s VAL 184 CO 0.21 -0.17 0.31 0.28 -0.31 0.00 0.00 175.10 175.42 3a7r s THR 185 N -2.53 0.07 0.16 5.32 -1.32 -0.79 -4.78 115.64 111.76 3a7r s THR 185 Ca 0.35 -1.27 -0.14 0.00 -1.21 0.00 0.00 61.69 59.43 3a7r s THR 185 Cb 0.01 -1.75 -0.07 0.00 -1.51 0.00 0.00 72.50 69.18 3a7r s THR 185 CO 0.20 -0.31 0.55 0.20 -2.21 0.00 0.00 174.62 173.06 3a7r s ASN 186 N -2.94 6.81 0.40 8.08 0.01 -1.26 -4.50 114.94 121.54 3a7r s ASN 186 Ca 0.15 1.07 0.12 0.00 -0.71 0.00 0.00 52.86 53.48 3a7r s ASN 186 Cb 0.03 -2.29 0.83 0.00 0.41 0.00 0.00 41.25 40.23 3a7r s ASN 186 CO -0.02 0.08 1.92 -0.07 -1.51 0.00 0.00 177.10 177.50 3a7r h LEU 187 N 3.45 0.11 -1.84 0.60 3.38 -0.62 -1.15 115.31 119.24 3a7r h LEU 187 Ca -0.48 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.46 3a7r h LEU 187 Cb 1.19 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3a7r h LEU 187 CO 0.66 0.32 0.22 0.00 0.09 0.00 0.00 178.44 179.74 3a7r h THR 188 N 0.11 0.00 0.00 0.22 1.03 -1.40 0.34 112.91 113.21 3a7r h THR 188 Ca 0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 66.41 66.34 3a7r h THR 188 Cb 0.42 0.61 -0.01 0.00 -1.07 0.00 0.00 68.15 68.11 3a7r h THR 188 CO 0.03 0.00 -0.39 -0.33 -0.01 0.00 0.00 175.52 174.82 3a7r h GLU 189 N 0.00 0.00 0.01 0.00 4.39 -1.48 -2.90 114.58 114.61 3a7r h GLU 189 Ca 0.00 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.34 3a7r h GLU 189 Cb 0.45 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.04 3a7r h GLU 189 CO 0.00 0.39 -2.22 1.28 -1.16 0.00 0.00 179.01 177.30 3a7r n LEU 190 N -3.45 1.16 -3.62 1.33 4.32 0.90 -4.81 117.00 112.83 3a7r n LEU 190 Ca 0.00 0.08 -0.29 0.00 -0.02 0.00 0.00 56.01 55.78 3a7r n LEU 190 Cb 0.55 -0.07 -0.14 0.00 -1.62 0.00 0.00 43.42 42.14 3a7r n LEU 190 CO 0.37 0.62 -0.31 -0.76 -1.22 0.00 0.00 177.39 176.08 3a7r s LEU 191 N -6.03 1.60 0.41 2.23 1.43 0.49 -5.02 118.68 113.79 3a7r s LEU 191 Ca -0.16 -1.84 0.12 0.00 -1.03 0.00 0.00 54.13 51.22 3a7r s LEU 191 Cb 0.07 -0.66 0.87 0.00 0.03 0.00 0.00 46.19 46.50 3a7r s LEU 191 CO 0.77 -0.37 1.95 -0.65 0.23 0.00 0.00 176.35 178.27 3a7r h PRO 192 N 7.70 0.14 -0.17 1.29 0.11 -1.77 -0.73 132.00 138.56 3a7r h PRO 192 Ca -0.09 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.04 3a7r h PRO 192 Cb 0.99 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3a7r h PRO 192 CO 0.42 0.30 0.13 0.78 -0.21 0.00 0.00 178.00 179.42 3a7r h GLY 193 N 0.67 0.00 -4.46 -0.55 0.00 -1.96 -3.47 103.07 93.30 3a7r h GLY 193 Ca 0.03 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.80 3a7r h GLY 193 CO 0.02 0.00 0.74 4.51 0.00 0.00 0.00 176.54 181.81 3a7r n ILE 194 N -4.30 1.03 -4.44 2.60 3.06 -0.28 -5.00 119.36 112.04 3a7r n ILE 194 Ca 0.01 -0.26 -0.22 0.00 -2.50 0.00 0.00 62.75 59.78 3a7r n ILE 194 Cb 0.26 -1.71 -0.10 0.00 0.54 0.00 0.00 39.64 38.63 3a7r n ILE 194 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3a7r s THR 195 N -0.08 1.92 0.15 9.51 -4.23 -1.26 -4.91 115.64 116.74 3a7r s THR 195 Ca 0.66 -2.21 -0.18 0.00 -1.18 0.00 0.00 61.69 58.78 3a7r s THR 195 Cb -0.57 -2.36 0.03 0.00 1.34 0.00 0.00 72.50 70.94 3a7r s THR 195 CO 0.50 -0.37 1.71 -0.74 -0.54 0.00 0.00 174.62 175.17 3a7r h HIS 196 N 2.30 -0.03 -0.68 3.99 2.76 -1.94 -1.42 115.15 120.12 3a7r h HIS 196 Ca -0.40 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 57.83 3a7r h HIS 196 Cb 1.24 0.06 -0.05 0.00 1.55 0.00 0.00 27.41 30.22 3a7r h HIS 196 CO 0.73 -0.06 0.42 0.93 -1.30 0.00 0.00 177.93 178.64 3a7r h GLU 197 N 0.08 0.79 -0.78 5.26 4.39 -1.99 -0.06 114.58 122.27 3a7r h GLU 197 Ca 0.15 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 3a7r h GLU 197 Cb 0.21 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 3a7r h GLU 197 CO -0.26 0.52 0.43 1.96 -1.16 0.00 0.00 179.01 180.50 3a7r h GLN 198 N 0.81 1.09 -0.35 2.33 4.20 -1.87 -0.98 115.11 120.34 3a7r h GLN 198 Ca 0.28 -0.12 -0.14 0.00 0.06 0.00 0.00 58.65 58.73 3a7r h GLN 198 Cb 0.05 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 3a7r h GLN 198 CO -0.12 0.80 -0.31 0.28 -0.67 0.00 0.00 178.83 178.81 3a7r h VAL 199 N 1.08 1.29 -0.83 -0.54 2.07 -0.88 -1.70 116.25 116.74 3a7r h VAL 199 Ca 0.28 -1.48 0.03 0.00 0.82 0.00 0.00 66.70 66.35 3a7r h VAL 199 Cb 0.02 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 3a7r h VAL 199 CO -0.05 0.49 0.53 0.00 0.02 0.00 0.00 177.57 178.56 3a7r h GLU 201 N 1.03 0.36 -0.58 0.00 5.08 -1.09 0.09 114.58 119.46 3a7r h GLU 201 Ca 0.33 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3a7r h GLU 201 Cb 0.01 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3a7r h GLU 201 CO -0.12 0.51 0.38 0.00 -1.00 0.00 0.00 179.01 178.78 3a7r h ALA 202 N 0.83 0.73 -0.62 3.43 0.00 -1.05 0.12 119.26 122.70 3a7r h ALA 202 Ca 0.06 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3a7r h ALA 202 Cb 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3a7r h ALA 202 CO 0.01 0.18 0.09 0.82 0.00 0.00 0.00 179.25 180.34 3a7r h ILE 203 N 0.78 1.26 0.04 0.00 2.04 -0.95 -1.51 117.51 119.17 3a7r h ILE 203 Ca 0.21 -1.02 0.01 0.00 1.00 0.00 0.00 64.86 65.06 3a7r h ILE 203 Cb -0.08 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3a7r h ILE 203 CO -0.04 0.38 -0.10 0.74 0.00 0.00 0.00 178.15 179.12 3a7r h THR 204 N 0.94 0.75 -0.72 -0.27 2.02 -0.67 -0.09 112.91 114.87 3a7r h THR 204 Ca 0.19 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.38 3a7r h THR 204 Cb 0.44 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 3a7r h THR 204 CO 0.01 0.00 0.48 -0.33 0.37 0.00 0.00 175.52 176.05 3a7r h GLU 205 N -0.19 0.92 -0.00 6.66 4.39 -0.57 -0.92 114.58 124.86 3a7r h GLU 205 Ca 0.03 -0.06 -0.17 0.00 0.34 0.00 0.00 59.36 59.50 3a7r h GLU 205 Cb 0.22 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 3a7r h GLU 205 CO -0.08 0.61 -0.79 0.00 -1.16 0.00 0.00 179.01 177.59 3a7r h ALA 206 N 1.56 0.68 0.00 3.43 0.00 -0.92 0.46 119.26 124.47 3a7r h ALA 206 Ca 0.27 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 3a7r h ALA 206 Cb -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3a7r h ALA 206 CO -0.06 0.96 -0.00 0.35 0.00 0.00 0.00 179.25 180.49 3a7r h PHE 207 N 0.03 -0.00 -0.72 0.00 3.57 -0.72 -1.09 116.94 118.01 3a7r h PHE 207 Ca -0.02 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 3a7r h PHE 207 Cb 1.40 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.10 3a7r h PHE 207 CO 0.01 0.23 0.44 0.74 -2.23 0.00 0.00 178.31 177.50 3a7r h PHE 208 N -0.23 0.93 -0.60 0.41 0.04 -1.07 -2.32 116.94 114.10 3a7r h PHE 208 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3a7r h PHE 208 Cb 0.23 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.05 3a7r h PHE 208 CO 0.00 0.62 0.28 0.00 -0.60 0.00 0.00 178.31 178.62 3a7r h ALA 209 N 1.24 0.77 -0.47 2.45 0.00 -0.83 0.10 119.26 122.52 3a7r h ALA 209 Ca 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3a7r h ALA 209 Cb -0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3a7r h ALA 209 CO -0.05 0.34 0.18 1.25 0.00 0.00 0.00 179.25 180.97 3a7r h HIS 210 N 0.82 0.71 0.00 0.00 -0.00 -0.85 -3.18 115.15 112.66 3a7r h HIS 210 Ca 0.21 -0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.52 3a7r h HIS 210 Cb 0.13 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.32 3a7r h HIS 210 CO 0.00 0.61 -0.69 0.66 -0.00 0.00 0.00 177.93 178.51 3a7r n TYR 211 N -4.58 0.36 -1.56 5.26 4.01 -0.90 -4.98 117.16 114.77 3a7r n TYR 211 Ca 0.01 0.11 -0.04 0.00 -0.16 0.00 0.00 57.90 57.82 3a7r n TYR 211 Cb 0.16 -0.52 -0.01 0.00 -0.31 0.00 0.00 39.34 38.66 3a7r n TYR 211 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a7r n GLY 212 N 1.38 0.46 3.15 2.72 0.00 0.35 -5.03 105.19 108.21 3a7r n GLY 212 Ca 0.03 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 3a7r n GLY 212 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a7r s GLU 213 N -3.19 0.79 0.06 1.61 2.02 -1.14 -5.05 118.70 113.78 3a7r s GLU 213 Ca 0.00 -1.25 0.05 0.00 0.02 0.00 0.00 54.97 53.80 3a7r s GLU 213 Cb 0.00 0.25 -0.03 0.00 0.10 0.00 0.00 34.13 34.46 3a7r s GLU 213 CO 0.00 -0.20 -0.15 1.03 0.02 0.00 0.00 175.26 175.96 3a7r s ARG 214 N -3.95 0.89 0.08 1.61 0.52 -1.26 -4.45 118.95 112.38 3a7r s ARG 214 Ca 0.13 -0.88 0.01 0.00 -0.52 0.00 0.00 55.73 54.47 3a7r s ARG 214 Cb 0.07 -0.91 -0.04 0.00 0.52 0.00 0.00 34.95 34.59 3a7r s ARG 214 CO -0.06 0.21 -0.06 0.14 0.02 0.00 0.00 175.30 175.56 3a7r s VAL 215 N -1.08 0.54 0.23 3.52 -7.23 -1.26 -5.02 120.40 110.10 3a7r s VAL 215 Ca 0.00 -1.85 -0.30 0.00 -1.81 0.00 0.00 61.98 58.02 3a7r s VAL 215 Cb -0.09 -1.58 -0.09 0.00 0.56 0.00 0.00 36.38 35.19 3a7r s VAL 215 CO 0.02 -0.89 1.11 -0.70 -0.31 0.00 0.00 175.10 174.33 3a7r s GLU 216 N -3.75 4.60 0.46 4.82 2.12 -1.26 -4.90 118.70 120.79 3a7r s GLU 216 Ca 0.09 1.78 -0.24 0.00 0.36 0.00 0.00 54.97 56.97 3a7r s GLU 216 Cb 0.05 -3.23 -0.07 0.00 0.26 0.00 0.00 34.13 31.14 3a7r s GLU 216 CO -0.06 0.12 1.24 0.00 -0.54 0.00 0.00 175.26 176.02 3a7r s ALA 217 N -0.66 3.02 -0.14 6.30 0.00 -1.26 -4.57 121.76 124.44 3a7r s ALA 217 Ca 0.47 1.09 -0.01 0.00 0.00 0.00 0.00 51.96 53.51 3a7r s ALA 217 Cb -0.31 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.35 3a7r s ALA 217 CO 0.38 -0.83 -0.10 -1.21 0.00 0.00 0.00 175.76 174.00 3a7r s GLU 218 N -2.60 3.47 -0.09 0.00 2.02 0.04 -5.02 118.70 116.52 3a7r s GLU 218 Ca 0.63 -0.63 -0.20 0.00 0.02 0.00 0.00 54.97 54.79 3a7r s GLU 218 Cb -0.33 -2.74 -0.04 0.00 0.10 0.00 0.00 34.13 31.11 3a7r s GLU 218 CO 0.41 0.19 0.56 0.42 0.02 0.00 0.00 175.26 176.87 3a7r s ILE 219 N 0.43 5.12 -0.20 -1.63 -1.09 -1.26 -1.09 121.20 121.49 3a7r s ILE 219 Ca -0.08 1.15 -0.03 0.00 -2.23 0.00 0.00 60.65 59.46 3a7r s ILE 219 Cb -0.15 -3.90 -0.01 0.00 -1.58 0.00 0.00 42.46 36.81 3a7r s ILE 219 CO 0.04 0.31 -0.05 -0.63 -1.23 0.00 0.00 174.94 173.38 3a7r s ILE 220 N 0.63 3.46 0.02 2.92 1.01 -0.01 -4.93 121.20 124.31 3a7r s ILE 220 Ca 0.30 -0.48 0.08 0.00 0.00 0.00 0.00 60.65 60.56 3a7r s ILE 220 Cb -0.16 -2.55 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 3a7r s ILE 220 CO 0.14 0.45 -0.24 -0.55 0.00 0.00 0.00 174.94 174.73 3a7r s SER 221 N 1.11 2.84 0.00 3.58 0.15 -1.26 -0.47 113.70 119.65 3a7r s SER 221 Ca 0.01 -0.52 0.20 0.00 0.70 0.00 0.00 55.95 56.34 3a7r s SER 221 Cb -0.15 -0.27 1.02 0.00 -1.71 0.00 0.00 66.02 64.91 3a7r s SER 221 CO -0.00 0.24 1.60 -0.81 1.20 0.00 0.00 173.24 175.47 3a7r n PRO 222 N 2.04 0.33 0.15 5.44 -0.04 -1.26 -2.68 135.00 138.99 3a7r n PRO 222 Ca -0.17 0.09 0.13 0.00 -0.04 0.00 0.00 63.50 63.51 3a7r n PRO 222 Cb 0.52 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.91 3a7r n PRO 222 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3a7r h ASN 223 N 0.00 0.00 -3.19 3.54 4.21 -1.98 -3.40 115.58 114.76 3a7r h ASN 223 Ca 0.00 0.00 -0.49 0.00 1.21 0.00 0.00 56.30 57.02 3a7r h ASN 223 Cb 0.15 0.00 -0.40 0.00 -1.12 0.00 0.00 38.32 36.95 3a7r h ASN 223 CO 0.00 0.00 -0.76 -0.75 -1.29 0.00 0.00 177.43 174.63 3a7r s LYS 224 N -3.25 0.42 -0.33 0.81 2.47 -1.09 -5.11 119.74 113.66 3a7r s LYS 224 Ca 0.07 -0.25 -0.41 0.00 -1.56 0.00 0.00 55.97 53.82 3a7r s LYS 224 Cb 0.10 -1.91 -0.16 0.00 -1.46 0.00 0.00 37.83 34.40 3a7r s LYS 224 CO 0.54 -0.62 1.81 2.41 0.16 0.00 0.00 175.35 179.65 3a7r n THR 225 N 5.14 0.24 -1.68 3.43 -1.04 -1.26 -4.62 114.28 114.49 3a7r n THR 225 Ca -0.08 -0.07 -0.44 0.00 -2.04 0.00 0.00 64.05 61.42 3a7r n THR 225 Cb 0.48 -1.15 -0.03 0.00 -1.82 0.00 0.00 70.33 67.81 3a7r n THR 225 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3a7r n PRO 226 N 5.75 2.17 -1.76 -2.82 -0.02 -1.26 -4.84 135.00 132.21 3a7r n PRO 226 Ca 0.31 0.77 -0.40 0.00 -2.02 0.00 0.00 63.50 62.16 3a7r n PRO 226 Cb 0.11 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.11 3a7r n PRO 226 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3a7r n ASP 227 N 2.35 7.99 -4.64 2.55 -0.08 -1.26 -4.83 116.55 118.63 3a7r n ASP 227 Ca 0.12 -2.93 -0.33 0.00 -1.51 0.00 0.00 54.79 50.14 3a7r n ASP 227 Cb 0.32 -1.45 -0.10 0.00 2.34 0.00 0.00 41.12 42.23 3a7r n ASP 227 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3a7r s LEU 228 N -1.05 3.37 0.23 -2.67 1.43 -1.26 -5.07 118.68 113.67 3a7r s LEU 228 Ca 0.59 -0.03 -0.31 0.00 -1.03 0.00 0.00 54.13 53.34 3a7r s LEU 228 Cb 0.18 -1.89 -0.13 0.00 0.03 0.00 0.00 46.19 44.37 3a7r s LEU 228 CO -0.08 0.30 1.46 -2.65 0.23 0.00 0.00 176.35 175.61 3a7r n PRO 229 N 1.64 2.13 -1.54 1.29 -0.02 -1.26 -2.35 135.00 134.89 3a7r n PRO 229 Ca -0.16 0.76 -0.17 0.00 -2.02 0.00 0.00 63.50 61.91 3a7r n PRO 229 Cb 0.53 -2.45 -0.07 0.00 -0.02 0.00 0.00 33.50 31.49 3a7r n PRO 229 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3a7r n ASN 230 N 2.36 -5.08 0.02 2.55 4.13 -1.26 -4.90 115.26 113.08 3a7r n ASN 230 Ca 0.12 0.41 -0.11 0.00 1.68 0.00 0.00 54.58 56.67 3a7r n ASN 230 Cb 0.32 -4.10 -0.06 0.00 -1.54 0.00 0.00 39.78 34.40 3a7r n ASN 230 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 3a7r h PHE 231 N 0.00 0.01 -0.56 3.10 3.57 -1.79 -0.90 116.94 120.37 3a7r h PHE 231 Ca -0.36 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.19 3a7r h PHE 231 Cb 1.13 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.83 3a7r h PHE 231 CO 0.48 0.00 0.31 0.00 -2.23 0.00 0.00 178.31 176.87 3a7r h ALA 232 N 1.04 0.72 -0.38 2.41 0.00 -1.90 0.19 119.26 121.33 3a7r h ALA 232 Ca 0.02 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 3a7r h ALA 232 Cb 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3a7r h ALA 232 CO -0.03 -0.01 -0.39 1.49 0.00 0.00 0.00 179.25 180.31 3a7r h GLU 233 N 0.59 0.93 -0.12 0.00 4.81 -1.96 -0.48 114.58 118.35 3a7r h GLU 233 Ca 0.24 -0.49 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 3a7r h GLU 233 Cb 0.11 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3a7r h GLU 233 CO -0.14 1.14 0.04 1.15 -0.73 0.00 0.00 179.01 180.47 3a7r h THR 234 N 0.76 1.17 -0.17 0.32 2.02 -0.72 -1.63 112.91 114.66 3a7r h THR 234 Ca 0.06 -0.52 0.03 0.00 0.77 0.00 0.00 66.41 66.75 3a7r h THR 234 Cb 0.98 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.65 3a7r h THR 234 CO 0.09 0.15 0.01 0.15 0.37 0.00 0.00 175.52 176.30 3a7r h PHE 235 N 0.02 0.01 -0.64 3.16 3.57 -0.57 0.12 116.94 122.60 3a7r h PHE 235 Ca 0.04 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.59 3a7r h PHE 235 Cb 0.21 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 3a7r h PHE 235 CO -0.01 -0.01 0.39 0.00 -2.23 0.00 0.00 178.31 176.45 3a7r h ALA 236 N 1.14 0.84 -0.37 2.41 0.00 -1.02 -1.04 119.26 121.22 3a7r h ALA 236 Ca 0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3a7r h ALA 236 Cb 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3a7r h ALA 236 CO -0.13 0.12 0.08 -0.09 0.00 0.00 0.00 179.25 179.23 3a7r h ARG 237 N 0.75 0.59 -0.31 0.00 2.43 -1.05 -2.57 114.38 114.22 3a7r h ARG 237 Ca 0.27 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3a7r h ARG 237 Cb 0.07 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3a7r h ARG 237 CO -0.13 0.64 0.18 0.37 -1.51 0.00 0.00 179.97 179.52 3a7r h GLN 238 N 0.45 0.41 0.00 0.20 5.75 -0.71 -1.60 115.11 119.60 3a7r h GLN 238 Ca 0.11 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.58 3a7r h GLN 238 Cb 0.32 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.78 3a7r h GLN 238 CO 0.00 0.29 -0.00 0.43 -2.65 0.00 0.00 178.83 176.90 3a7r n SER 239 N -4.47 0.83 -4.81 -0.69 7.64 -0.42 -4.67 113.62 107.04 3a7r n SER 239 Ca 0.02 0.58 -0.35 0.00 1.01 0.00 0.00 58.87 60.12 3a7r n SER 239 Cb 0.09 -0.80 -0.06 0.00 -1.01 0.00 0.00 64.21 62.42 3a7r n SER 239 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3a7r s SER 240 N -4.56 7.12 0.27 6.43 1.04 -0.60 -4.93 113.70 118.46 3a7r s SER 240 Ca 0.11 1.66 -0.01 0.00 0.48 0.00 0.00 55.95 58.19 3a7r s SER 240 Cb 0.12 -2.52 0.51 0.00 0.10 0.00 0.00 66.02 64.23 3a7r s SER 240 CO 0.60 -0.15 1.81 -0.25 0.98 0.00 0.00 173.24 176.24 3a7r h TRP 241 N 2.76 1.00 -0.78 5.02 7.01 -1.92 -1.59 115.95 127.45 3a7r h TRP 241 Ca -0.48 0.03 0.07 0.00 2.11 0.00 0.00 58.89 60.62 3a7r h TRP 241 Cb 1.19 -0.31 -0.05 0.00 -2.10 0.00 0.00 29.16 27.89 3a7r h TRP 241 CO 0.62 0.37 0.51 0.93 -2.79 0.00 0.00 178.44 178.08 3a7r h GLU 242 N 0.87 0.80 0.00 2.65 3.07 -1.92 0.71 114.58 120.77 3a7r h GLU 242 Ca 0.46 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.27 3a7r h GLU 242 Cb 0.49 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.21 3a7r h GLU 242 CO -0.28 0.53 -0.03 2.35 -1.40 0.00 0.00 179.01 180.19 3a7r h TRP 243 N 0.83 0.00 -0.61 4.33 2.91 -1.67 -1.71 115.95 120.03 3a7r h TRP 243 Ca 0.34 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.31 3a7r h TRP 243 Cb 0.25 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 28.88 3a7r h TRP 243 CO -0.00 0.26 0.22 -0.91 -1.03 0.00 0.00 178.44 176.97 3a7r h ASN 244 N -1.00 0.86 0.00 2.65 2.35 -1.20 -3.26 115.58 115.99 3a7r h ASN 244 Ca -0.00 -0.19 -0.38 0.00 -0.55 0.00 0.00 56.30 55.18 3a7r h ASN 244 Cb 0.27 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.36 3a7r h ASN 244 CO -0.00 0.82 -2.30 0.49 -1.65 0.00 0.00 177.43 174.78 3a7r n PHE 245 N -4.42 0.00 0.25 1.19 3.72 0.13 -4.59 117.46 113.73 3a7r n PHE 245 Ca 0.04 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.56 3a7r n PHE 245 Cb 0.19 -0.85 0.63 0.00 -0.94 0.00 0.00 39.48 38.51 3a7r n PHE 245 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3a7r h GLY 246 N -0.22 0.00 1.63 1.37 0.00 -0.78 -2.38 103.07 102.68 3a7r h GLY 246 Ca -0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.76 3a7r h GLY 246 CO -0.29 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.19 3a7r n GLN 247 N -3.50 0.30 -1.55 4.80 1.13 -0.69 -2.51 117.38 115.37 3a7r n GLN 247 Ca -0.01 0.06 -0.49 0.00 -1.94 0.00 0.00 57.00 54.63 3a7r n GLN 247 Cb 0.32 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.13 3a7r n GLN 247 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3a7r n ALA 248 N -1.31 -1.21 -0.87 -1.58 0.00 -0.90 -4.90 120.51 109.73 3a7r n ALA 248 Ca 0.11 0.46 -0.33 0.00 0.00 0.00 0.00 53.44 53.68 3a7r n ALA 248 Cb 0.20 -1.94 0.13 0.00 0.00 0.00 0.00 19.45 17.84 3a7r n ALA 248 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3a7r n PRO 249 N 1.44 -0.18 -1.60 0.00 -0.02 -1.26 -4.27 135.00 129.11 3a7r n PRO 249 Ca 0.15 0.01 -0.43 0.00 -2.02 0.00 0.00 63.50 61.21 3a7r n PRO 249 Cb 0.25 -2.18 -0.01 0.00 -0.02 0.00 0.00 33.50 31.54 3a7r n PRO 249 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a7r n ALA 250 N -3.64 0.01 -3.34 3.55 0.00 -1.26 -4.64 120.51 111.19 3a7r n ALA 250 Ca 0.11 0.34 -0.09 0.00 0.00 0.00 0.00 53.44 53.80 3a7r n ALA 250 Cb 0.52 -2.05 -0.04 0.00 0.00 0.00 0.00 19.45 17.87 3a7r n ALA 250 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3a7r s PHE 251 N -1.13 0.16 0.12 0.00 -0.71 -0.86 -2.13 117.98 113.41 3a7r s PHE 251 Ca 0.59 -0.54 0.09 0.00 -1.04 0.00 0.00 56.93 56.03 3a7r s PHE 251 Cb -0.65 0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 41.46 3a7r s PHE 251 CO 0.59 -1.03 -0.22 -1.12 -1.34 0.00 0.00 175.22 172.11 3a7r s SER 252 N -2.97 2.71 -0.07 1.98 0.01 -0.49 -0.50 113.70 114.37 3a7r s SER 252 Ca 0.17 -0.73 0.01 0.00 1.31 0.00 0.00 55.95 56.71 3a7r s SER 252 Cb -0.02 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.07 3a7r s SER 252 CO 0.06 0.07 -0.07 -2.28 0.41 0.00 0.00 173.24 171.43 3a7r s HIS 253 N -1.29 1.15 -0.42 2.43 2.46 0.28 -1.20 115.29 118.69 3a7r s HIS 253 Ca 0.09 -0.45 -0.12 0.00 0.47 0.00 0.00 55.06 55.05 3a7r s HIS 253 Cb -0.09 -0.97 0.06 0.00 -0.13 0.00 0.00 32.58 31.45 3a7r s HIS 253 CO 0.05 -0.33 0.29 -1.17 -2.47 0.00 0.00 174.74 171.11 3a7r s LEU 254 N 1.24 5.19 0.01 8.88 2.96 -0.57 -1.01 118.68 135.39 3a7r s LEU 254 Ca -0.05 -1.26 0.01 0.00 -0.22 0.00 0.00 54.13 52.61 3a7r s LEU 254 Cb -0.14 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 3a7r s LEU 254 CO -0.02 -0.53 0.07 -0.76 -1.32 0.00 0.00 176.35 173.79 3a7r s LEU 255 N 1.55 3.81 -0.03 -0.68 1.02 0.08 -4.27 118.68 120.16 3a7r s LEU 255 Ca 0.03 0.08 -0.21 0.00 0.02 0.00 0.00 54.13 54.06 3a7r s LEU 255 Cb -0.22 -2.27 0.04 0.00 0.02 0.00 0.00 46.19 43.76 3a7r s LEU 255 CO 0.06 0.25 0.45 1.51 0.02 0.00 0.00 176.35 178.64 3a7r s ASP 256 N -1.85 -0.38 -0.25 2.29 -4.77 -1.26 -0.19 116.67 110.27 3a7r s ASP 256 Ca 0.24 0.36 -0.22 0.00 -3.30 0.00 0.00 52.55 49.63 3a7r s ASP 256 Cb -0.12 0.43 0.07 0.00 -1.09 0.00 0.00 42.92 42.20 3a7r s ASP 256 CO 0.15 -0.50 0.66 -0.70 0.70 0.00 0.00 175.17 175.49 3a7r s GLU 257 N -1.21 0.75 -0.23 2.11 2.56 -0.47 -5.01 118.70 117.20 3a7r s GLU 257 Ca -0.12 0.97 -0.16 0.00 0.00 0.00 0.00 54.97 55.66 3a7r s GLU 257 Cb -0.03 0.33 -0.04 0.00 2.00 0.00 0.00 34.13 36.39 3a7r s GLU 257 CO 0.06 -0.10 0.41 1.03 -0.56 0.00 0.00 175.26 176.10 3a7r s ARG 258 N 0.57 4.11 0.32 4.30 1.81 -1.26 -1.15 118.95 127.65 3a7r s ARG 258 Ca -0.02 0.17 0.08 0.00 -1.72 0.00 0.00 55.73 54.24 3a7r s ARG 258 Cb -0.05 -3.59 -0.04 0.00 -0.45 0.00 0.00 34.95 30.82 3a7r s ARG 258 CO -0.03 -0.16 0.18 -0.06 -0.68 0.00 0.00 175.30 174.56 3a7r s PHE 259 N 1.71 2.81 0.46 -0.53 0.08 0.32 -4.98 117.98 117.85 3a7r s PHE 259 Ca 0.18 -0.31 0.19 0.00 0.12 0.00 0.00 56.93 57.11 3a7r s PHE 259 Cb -0.15 -1.63 1.17 0.00 -0.57 0.00 0.00 43.02 41.84 3a7r s PHE 259 CO 0.09 0.33 1.93 1.79 -0.10 0.00 0.00 175.22 179.26 3a7r h THR 260 N 1.47 0.75 -0.24 0.64 1.35 -2.04 -1.37 112.91 113.48 3a7r h THR 260 Ca -0.45 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 3a7r h THR 260 Cb 1.25 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 3a7r h THR 260 CO 0.61 0.05 0.00 -2.67 -0.25 0.00 0.00 175.52 173.26 3a7r n TRP 261 N -4.44 0.31 0.00 4.73 4.27 -1.26 -5.01 117.44 116.03 3a7r n TRP 261 Ca 0.14 -0.15 0.00 0.00 -3.89 0.00 0.00 57.50 53.60 3a7r n TRP 261 Cb 0.59 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.54 3a7r n TRP 261 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 3a7r n GLY 262 N 1.26 1.71 3.85 -1.67 0.00 -0.52 -4.05 105.19 105.77 3a7r n GLY 262 Ca 0.17 -1.92 -0.34 0.00 0.00 0.00 0.00 46.02 43.93 3a7r n GLY 262 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a7r s GLY 263 N 0.00 2.41 -0.02 -0.02 0.00 -1.26 -0.52 107.32 107.90 3a7r s GLY 263 Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 44.72 44.61 3a7r s GLY 263 CO 0.00 0.10 -0.10 0.14 0.00 0.00 0.00 173.10 173.24 3a7r s VAL 264 N -1.61 0.85 -0.05 1.40 1.01 -0.30 -2.50 120.40 119.20 3a7r s VAL 264 Ca 0.42 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.02 3a7r s VAL 264 Cb -0.14 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.50 3a7r s VAL 264 CO 0.20 0.26 -0.14 -0.70 0.00 0.00 0.00 175.10 174.72 3a7r s GLU 265 N 0.08 1.60 -0.04 2.72 2.12 0.75 -1.36 118.70 124.56 3a7r s GLU 265 Ca -0.01 -0.48 0.05 0.00 0.36 0.00 0.00 54.97 54.89 3a7r s GLU 265 Cb -0.08 -1.37 -0.01 0.00 0.26 0.00 0.00 34.13 32.94 3a7r s GLU 265 CO 0.00 0.14 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.16 3a7r s LEU 266 N 0.30 1.95 -0.26 2.70 1.43 0.74 -0.63 118.68 124.91 3a7r s LEU 266 Ca -0.08 -0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 52.61 3a7r s LEU 266 Cb -0.13 -1.05 0.02 0.00 0.03 0.00 0.00 46.19 45.07 3a7r s LEU 266 CO 0.02 0.18 -0.02 -1.00 0.23 0.00 0.00 176.35 175.76 3a7r s HIS 267 N -0.04 3.10 -0.15 0.29 3.76 -0.22 -0.74 115.29 121.30 3a7r s HIS 267 Ca -0.03 -1.43 -0.05 0.00 -0.15 0.00 0.00 55.06 53.41 3a7r s HIS 267 Cb -0.12 -2.11 -0.03 0.00 1.11 0.00 0.00 32.58 31.43 3a7r s HIS 267 CO 0.02 -0.69 0.01 -0.06 -0.85 0.00 0.00 174.74 173.17 3a7r s PHE 268 N 1.37 3.15 -0.11 1.40 0.08 -0.18 -1.50 117.98 122.18 3a7r s PHE 268 Ca 0.00 -0.05 -0.11 0.00 0.12 0.00 0.00 56.93 56.89 3a7r s PHE 268 Cb -0.17 -1.97 -0.05 0.00 -0.57 0.00 0.00 43.02 40.26 3a7r s PHE 268 CO -0.02 0.15 0.25 -0.51 -0.10 0.00 0.00 175.22 174.99 3a7r s ASP 269 N 0.11 6.50 -0.06 1.36 1.01 -0.27 -0.56 116.67 124.75 3a7r s ASP 269 Ca 0.02 0.59 0.03 0.00 0.71 0.00 0.00 52.55 53.90 3a7r s ASP 269 Cb -0.13 -2.15 0.00 0.00 1.01 0.00 0.00 42.92 41.65 3a7r s ASP 269 CO 0.02 0.28 -0.16 -0.69 0.21 0.00 0.00 175.17 174.83 3a7r s VAL 270 N -0.48 1.36 -0.03 -1.27 1.01 0.35 -0.23 120.40 121.11 3a7r s VAL 270 Ca 0.17 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.51 3a7r s VAL 270 Cb -0.13 -1.20 0.03 0.00 0.00 0.00 0.00 36.38 35.07 3a7r s VAL 270 CO 0.06 0.40 -0.00 -1.61 0.00 0.00 0.00 175.10 173.95 3a7r s GLU 271 N 0.35 0.35 -1.54 2.72 2.02 -0.08 -2.03 118.70 120.49 3a7r s GLU 271 Ca -0.11 0.05 -0.03 0.00 0.02 0.00 0.00 54.97 54.90 3a7r s GLU 271 Cb -0.14 -0.50 0.01 0.00 0.10 0.00 0.00 34.13 33.60 3a7r s GLU 271 CO 0.04 -0.12 0.35 1.63 0.02 0.00 0.00 175.26 177.18 3a7r n LYS 272 N 4.08 -3.51 -0.95 1.61 5.02 -1.25 -1.58 118.16 121.57 3a7r n LYS 272 Ca -0.26 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 3a7r n LYS 272 Cb 0.51 -5.61 0.00 0.00 -0.02 0.00 0.00 35.03 29.90 3a7r n LYS 272 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a7r n GLY 273 N -1.26 0.67 3.63 0.72 0.00 -1.04 -4.83 105.19 103.09 3a7r n GLY 273 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 3a7r n GLY 273 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3a7r s HIS 274 N -2.85 2.98 -0.37 1.61 3.76 -0.62 -0.48 115.29 119.33 3a7r s HIS 274 Ca 0.00 0.02 -0.29 0.00 -0.15 0.00 0.00 55.06 54.64 3a7r s HIS 274 Cb 0.00 -1.64 0.00 0.00 1.11 0.00 0.00 32.58 32.05 3a7r s HIS 274 CO 0.00 0.41 1.47 0.42 -0.85 0.00 0.00 174.74 176.19 3a7r s ILE 275 N -1.03 3.86 -0.21 0.60 1.01 0.22 -0.90 121.20 124.75 3a7r s ILE 275 Ca 0.18 0.90 0.22 0.00 0.00 0.00 0.00 60.65 61.95 3a7r s ILE 275 Cb -0.11 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 3a7r s ILE 275 CO 0.08 -0.62 0.97 0.35 0.00 0.00 0.00 174.94 175.72 3a7r n THR 276 N 6.94 0.59 -3.72 2.92 -2.24 0.68 0.69 114.28 120.13 3a7r n THR 276 Ca 0.17 -0.55 -0.12 0.00 -2.27 0.00 0.00 64.05 61.28 3a7r n THR 276 Cb 0.47 -0.32 -0.11 0.00 -2.10 0.00 0.00 70.33 68.27 3a7r n THR 276 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3a7r s ARG 277 N -3.36 0.35 -0.06 -0.78 3.52 -1.17 -4.75 118.95 112.71 3a7r s ARG 277 Ca -0.01 0.62 0.04 0.00 -0.13 0.00 0.00 55.73 56.24 3a7r s ARG 277 Cb 0.10 0.02 0.00 0.00 -1.56 0.00 0.00 34.95 33.51 3a7r s ARG 277 CO 0.80 -0.12 -0.17 0.00 -0.81 0.00 0.00 175.30 175.00 3a7r s ALA 278 N 0.96 1.57 -0.03 6.12 0.00 -1.26 -1.12 121.76 128.00 3a7r s ALA 278 Ca -0.06 -0.68 0.05 0.00 0.00 0.00 0.00 51.96 51.27 3a7r s ALA 278 Cb -0.07 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 3a7r s ALA 278 CO -0.07 0.25 -0.19 -0.65 0.00 0.00 0.00 175.76 175.09 3a7r s GLN 279 N 0.21 1.74 -0.06 0.00 -0.21 -0.56 -4.72 119.66 116.06 3a7r s GLN 279 Ca -0.08 -0.68 0.06 0.00 0.02 0.00 0.00 55.36 54.68 3a7r s GLN 279 Cb -0.13 -1.59 -0.01 0.00 1.00 0.00 0.00 33.01 32.28 3a7r s GLN 279 CO 0.03 0.34 -0.23 0.08 -2.12 0.00 0.00 175.29 173.40 3a7r s VAL 280 N -0.23 2.23 -0.04 1.09 1.01 -1.26 -1.05 120.40 122.14 3a7r s VAL 280 Ca 0.02 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.02 3a7r s VAL 280 Cb -0.10 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.47 3a7r s VAL 280 CO 0.01 0.57 -0.14 -0.36 0.00 0.00 0.00 175.10 175.18 3a7r s PHE 281 N -0.26 1.44 -0.03 5.22 0.08 0.19 -4.99 117.98 119.63 3a7r s PHE 281 Ca -0.00 -0.42 -0.20 0.00 0.12 0.00 0.00 56.93 56.42 3a7r s PHE 281 Cb -0.13 -1.00 0.04 0.00 -0.57 0.00 0.00 43.02 41.36 3a7r s PHE 281 CO 0.03 -0.17 0.44 -0.08 -0.10 0.00 0.00 175.22 175.34 3a7r s THR 282 N 0.20 0.04 -0.20 0.64 -1.32 -1.26 -0.17 115.64 113.57 3a7r s THR 282 Ca -0.06 -0.30 0.15 0.00 -1.21 0.00 0.00 61.69 60.27 3a7r s THR 282 Cb -0.11 -0.74 0.49 0.00 -1.51 0.00 0.00 72.50 70.62 3a7r s THR 282 CO 0.02 -0.17 1.39 -0.90 -2.21 0.00 0.00 174.62 172.75 3a7r n ASP 283 N 1.20 3.31 -4.62 8.08 5.68 -1.04 -5.01 116.55 124.14 3a7r n ASP 283 Ca -0.21 -3.20 -0.41 0.00 -0.50 0.00 0.00 54.79 50.47 3a7r n ASP 283 Cb 0.56 -0.55 0.01 0.00 -1.14 0.00 0.00 41.12 40.01 3a7r n ASP 283 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3a7r n SER 284 N -0.80 1.42 0.07 -1.12 2.88 -1.26 -4.73 113.62 110.07 3a7r n SER 284 Ca 0.23 1.03 0.10 0.00 -1.33 0.00 0.00 58.87 58.90 3a7r n SER 284 Cb 0.88 -1.38 0.43 0.00 -0.75 0.00 0.00 64.21 63.39 3a7r n SER 284 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3a7r n LEU 285 N 0.37 0.40 -3.47 2.46 4.77 -1.26 -3.77 117.00 116.49 3a7r n LEU 285 Ca 0.09 0.59 -0.26 0.00 -0.03 0.00 0.00 56.01 56.39 3a7r n LEU 285 Cb 0.40 -0.52 -0.09 0.00 -2.33 0.00 0.00 43.42 40.88 3a7r n LEU 285 CO 0.57 -0.37 -0.14 0.59 -1.33 0.00 0.00 177.39 176.71 3a7r n ASN 286 N -1.92 1.69 0.01 -1.43 4.13 -1.26 -4.97 115.26 111.51 3a7r n ASN 286 Ca 0.03 -2.95 0.14 0.00 1.68 0.00 0.00 54.58 53.48 3a7r n ASN 286 Cb 0.24 -0.66 0.60 0.00 -1.54 0.00 0.00 39.78 38.42 3a7r n ASN 286 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 3a7r n PRO 287 N 1.70 0.02 -0.15 3.52 -0.04 -1.25 -4.21 135.00 134.58 3a7r n PRO 287 Ca 0.25 0.02 -0.03 0.00 -0.04 0.00 0.00 63.50 63.71 3a7r n PRO 287 Cb 0.44 -1.52 0.05 0.00 -0.04 0.00 0.00 33.50 32.43 3a7r n PRO 287 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a7r h ALA 288 N 2.95 0.40 -0.05 0.55 0.00 -1.93 -0.46 119.26 120.71 3a7r h ALA 288 Ca 0.00 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3a7r h ALA 288 Cb 0.51 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3a7r h ALA 288 CO 0.00 -0.42 -0.35 -1.00 0.00 0.00 0.00 179.25 177.49 3a7r h PRO 289 N 0.06 0.10 -0.47 0.00 0.13 -1.99 -0.54 132.00 129.29 3a7r h PRO 289 Ca 0.24 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 65.22 3a7r h PRO 289 Cb 0.37 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.48 3a7r h PRO 289 CO -0.45 0.44 -0.15 -0.07 -0.23 0.00 0.00 178.00 177.54 3a7r h LEU 290 N 0.09 0.90 -0.75 1.56 3.38 -1.53 -0.47 115.31 118.50 3a7r h LEU 290 Ca 0.01 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 3a7r h LEU 290 Cb 0.66 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3a7r h LEU 290 CO 0.05 1.05 0.12 -0.33 0.09 0.00 0.00 178.44 179.41 3a7r h GLU 291 N 0.79 1.07 -0.74 1.13 5.08 -0.65 -2.40 114.58 118.86 3a7r h GLU 291 Ca 0.12 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 3a7r h GLU 291 Cb 0.69 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 3a7r h GLU 291 CO 0.05 0.97 0.33 0.00 -1.00 0.00 0.00 179.01 179.36 3a7r h ALA 292 N 1.11 0.95 -0.99 3.43 0.00 -0.90 -2.75 119.26 120.12 3a7r h ALA 292 Ca 0.20 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3a7r h ALA 292 Cb 0.42 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3a7r h ALA 292 CO 0.01 0.54 0.65 1.25 0.00 0.00 0.00 179.25 181.70 3a7r h LEU 293 N 1.05 1.14 -0.73 0.00 5.85 -0.87 -2.47 115.31 119.27 3a7r h LEU 293 Ca 0.25 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.97 3a7r h LEU 293 Cb 0.16 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 3a7r h LEU 293 CO -0.03 0.83 0.46 0.00 -0.34 0.00 0.00 178.44 179.37 3a7r h ALA 294 N 1.36 0.96 -0.25 1.25 0.00 -1.12 -1.23 119.26 120.22 3a7r h ALA 294 Ca 0.36 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.07 3a7r h ALA 294 Cb -0.14 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 3a7r h ALA 294 CO -0.08 0.25 -0.54 0.78 0.00 0.00 0.00 179.25 179.67 3a7r h GLY 295 N 0.90 0.81 2.00 0.00 0.00 -1.51 -3.11 103.07 102.16 3a7r h GLY 295 Ca 0.29 -0.93 0.00 0.00 0.00 0.00 0.00 47.33 46.69 3a7r h GLY 295 CO -0.11 0.84 0.00 3.21 0.00 0.00 0.00 176.54 180.48 3a7r h ARG 296 N 0.57 0.00 0.00 4.80 3.08 -0.91 -2.95 114.38 118.97 3a7r h ARG 296 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3a7r h ARG 296 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 3a7r h ARG 296 CO 0.11 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.29 3a7r n LEU 297 N -3.08 0.72 -4.70 3.04 4.77 -0.54 -4.71 117.00 112.50 3a7r n LEU 297 Ca 0.01 0.59 -0.42 0.00 -0.03 0.00 0.00 56.01 56.16 3a7r n LEU 297 Cb 0.36 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 3a7r n LEU 297 CO 0.29 -0.26 1.24 -1.58 -1.33 0.00 0.00 177.39 175.75 3a7r s GLN 298 N -3.14 4.23 0.00 3.23 0.74 -1.12 -1.14 119.66 122.45 3a7r s GLN 298 Ca 0.09 2.28 0.00 0.00 0.05 0.00 0.00 55.36 57.79 3a7r s GLN 298 Cb 0.12 -3.38 0.00 0.00 1.10 0.00 0.00 33.01 30.85 3a7r s GLN 298 CO 0.54 -0.64 0.00 0.41 -0.55 0.00 0.00 175.29 175.06 3a7r n GLY 299 N 3.81 1.49 3.77 2.59 0.00 0.22 -5.02 105.19 112.05 3a7r n GLY 299 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3a7r n GLY 299 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a7r n LEU 301 N 0.13 4.59 -4.03 0.00 4.77 -1.26 -0.61 117.00 120.58 3a7r n LEU 301 Ca 0.04 1.22 -0.42 0.00 -0.03 0.00 0.00 56.01 56.82 3a7r n LEU 301 Cb 0.48 -1.60 -0.00 0.00 -2.33 0.00 0.00 43.42 39.97 3a7r n LEU 301 CO 0.48 0.08 2.42 0.00 -1.33 0.00 0.00 177.39 179.04 3a7r n TYR 302 N 0.60 3.90 -3.67 -1.77 9.36 0.37 -4.46 117.16 121.49 3a7r n TYR 302 Ca 0.02 -2.90 -0.13 0.00 3.32 0.00 0.00 57.90 58.22 3a7r n TYR 302 Cb 0.38 -2.57 -0.08 0.00 -0.63 0.00 0.00 39.34 36.44 3a7r n TYR 302 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 3a7r s ARG 303 N 3.62 0.69 0.25 2.98 3.52 -1.26 -5.02 118.95 123.73 3a7r s ARG 303 Ca 0.50 0.88 -0.03 0.00 -0.13 0.00 0.00 55.73 56.95 3a7r s ARG 303 Cb 0.10 0.30 0.49 0.00 -1.56 0.00 0.00 34.95 34.28 3a7r s ARG 303 CO -0.03 -0.10 1.74 0.00 -0.81 0.00 0.00 175.30 176.11 3a7r h ALA 304 N 5.49 1.15 -0.79 6.12 0.00 -1.88 -1.28 119.26 128.06 3a7r h ALA 304 Ca -0.29 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3a7r h ALA 304 Cb 1.18 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 3a7r h ALA 304 CO 0.14 -0.17 0.43 0.38 0.00 0.00 0.00 179.25 180.03 3a7r h ASP 305 N 0.51 1.00 0.59 0.00 2.03 -1.96 -0.50 116.42 118.08 3a7r h ASP 305 Ca 0.43 -0.10 -0.28 0.00 -0.73 0.00 0.00 57.03 56.36 3a7r h ASP 305 Cb 0.64 -0.25 0.01 0.00 -0.83 0.00 0.00 39.33 38.90 3a7r h ASP 305 CO -0.39 0.81 -1.24 0.24 -1.03 0.00 0.00 179.24 177.64 3a7r h MET 306 N 1.10 0.30 -0.61 4.15 2.86 -1.72 -1.90 114.93 119.12 3a7r h MET 306 Ca 0.28 -0.50 -0.08 0.00 -2.06 0.00 0.00 59.70 57.34 3a7r h MET 306 Cb 0.04 0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3a7r h MET 306 CO -0.04 1.23 0.06 -0.07 1.06 0.00 0.00 176.91 179.15 3a7r h LEU 307 N 0.09 0.99 -0.74 1.22 3.38 -1.02 -2.14 115.31 117.10 3a7r h LEU 307 Ca -0.14 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.44 3a7r h LEU 307 Cb 1.96 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 3a7r h LEU 307 CO 0.21 1.02 -0.27 1.56 0.09 0.00 0.00 178.44 181.05 3a7r h GLN 308 N 0.93 0.67 -0.84 1.13 4.20 -1.07 -1.77 115.11 118.36 3a7r h GLN 308 Ca 0.18 -0.28 0.06 0.00 0.06 0.00 0.00 58.65 58.67 3a7r h GLN 308 Cb 0.47 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.17 3a7r h GLN 308 CO 0.02 0.86 0.52 1.96 -0.67 0.00 0.00 178.83 181.52 3a7r h GLN 309 N 0.58 0.93 -0.36 1.46 4.20 -1.14 -0.22 115.11 120.55 3a7r h GLN 309 Ca 0.08 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 3a7r h GLN 309 Cb 0.75 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3a7r h GLN 309 CO 0.06 0.62 -0.20 0.93 -0.67 0.00 0.00 178.83 179.57 3a7r h GLU 310 N 0.96 0.77 -0.25 1.46 4.39 -0.97 -0.42 114.58 120.52 3a7r h GLU 310 Ca 0.36 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3a7r h GLU 310 Cb 0.14 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3a7r h GLU 310 CO -0.16 0.97 0.16 0.00 -1.16 0.00 0.00 179.01 178.82 3a7r h GLU 312 N 0.34 0.00 0.00 0.00 5.08 -0.96 -2.96 114.58 116.07 3a7r h GLU 312 Ca 0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3a7r h GLU 312 Cb -0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 3a7r h GLU 312 CO -0.02 0.18 -0.08 0.00 -1.00 0.00 0.00 179.01 178.09 3a7r h ALA 313 N 1.82 1.18 0.00 3.43 0.00 -0.86 -2.12 119.26 122.71 3a7r h ALA 313 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3a7r h ALA 313 Cb 0.94 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3a7r h ALA 313 CO 0.02 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.66 3a7r n LEU 314 N -3.44 0.31 0.24 0.00 4.77 -1.12 -3.19 117.00 114.57 3a7r n LEU 314 Ca -0.01 0.56 0.08 0.00 -0.03 0.00 0.00 56.01 56.60 3a7r n LEU 314 Cb 0.23 -0.50 0.59 0.00 -2.33 0.00 0.00 43.42 41.41 3a7r n LEU 314 CO 0.28 -0.30 0.95 -0.07 -1.33 0.00 0.00 177.39 176.91 3a7r h LEU 315 N 0.00 0.00 0.20 2.23 3.38 -1.57 0.60 115.31 120.16 3a7r h LEU 315 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3a7r h LEU 315 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3a7r h LEU 315 CO 0.00 0.14 -0.10 0.58 0.09 0.00 0.00 178.44 179.15 3a7r h VAL 316 N 0.00 0.86 0.00 1.22 2.07 -1.78 -2.91 116.25 115.70 3a7r h VAL 316 Ca -0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3a7r h VAL 316 Cb 0.27 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3a7r h VAL 316 CO 0.02 0.06 -0.65 0.47 0.02 0.00 0.00 177.57 177.49 3a7r n ASP 317 N -5.15 0.63 -2.67 0.57 8.00 -1.15 -4.33 116.55 112.46 3a7r n ASP 317 Ca -0.09 -0.43 -0.20 0.00 0.71 0.00 0.00 54.79 54.77 3a7r n ASP 317 Cb 0.18 0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 3a7r n ASP 317 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3a7r n PHE 318 N -1.52 2.45 0.30 1.24 3.72 0.19 -4.92 117.46 118.91 3a7r n PHE 318 Ca 0.05 -3.19 0.18 0.00 -0.05 0.00 0.00 57.45 54.44 3a7r n PHE 318 Cb 0.34 -0.26 0.89 0.00 -0.94 0.00 0.00 39.48 39.51 3a7r n PHE 318 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3a7r h PRO 319 N 2.81 0.00 0.00 -1.08 0.13 -1.70 -1.28 132.00 130.88 3a7r h PRO 319 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3a7r h PRO 319 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3a7r h PRO 319 CO 0.70 0.04 0.00 0.93 -0.23 0.00 0.00 178.00 179.44 3a7r h GLU 320 N 0.00 0.00 -0.64 0.86 4.39 -1.91 -2.83 114.58 114.45 3a7r h GLU 320 Ca -0.00 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.36 3a7r h GLU 320 Cb 0.27 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 28.72 3a7r h GLU 320 CO 0.00 0.00 0.23 1.04 -1.16 0.00 0.00 179.01 179.13 3a7r n GLN 321 N -2.59 2.06 -0.25 2.33 3.00 -0.48 -4.72 117.38 116.72 3a7r n GLN 321 Ca 0.02 -3.15 -0.02 0.00 -0.01 0.00 0.00 57.00 53.85 3a7r n GLN 321 Cb 0.31 -1.99 0.10 0.00 0.00 0.00 0.00 30.24 28.66 3a7r n GLN 321 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 3a7r h GLU 322 N 1.05 0.77 -0.25 -1.09 4.81 -1.60 -0.41 114.58 117.86 3a7r h GLU 322 Ca 0.41 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.59 3a7r h GLU 322 Cb 2.13 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 31.32 3a7r h GLU 322 CO 0.73 0.51 0.14 -0.22 -0.73 0.00 0.00 179.01 179.44 3a7r h LYS 323 N 0.79 0.34 -0.23 1.92 3.64 -1.88 -1.02 116.57 120.14 3a7r h LYS 323 Ca 0.30 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 3a7r h LYS 323 Cb 0.12 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3a7r h LYS 323 CO -0.15 0.29 0.11 0.93 -2.27 0.00 0.00 179.45 178.35 3a7r h GLU 324 N 0.30 0.34 -0.62 1.90 3.07 -1.83 -1.90 114.58 115.83 3a7r h GLU 324 Ca 0.09 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.83 3a7r h GLU 324 Cb 0.04 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 27.87 3a7r h GLU 324 CO -0.02 0.36 0.14 -0.07 -1.40 0.00 0.00 179.01 178.02 3a7r h LEU 325 N 0.24 0.92 -0.52 1.33 3.38 -0.89 0.12 115.31 119.88 3a7r h LEU 325 Ca 0.08 -0.18 -0.16 0.00 0.09 0.00 0.00 57.88 57.71 3a7r h LEU 325 Cb 0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3a7r h LEU 325 CO -0.01 0.90 -0.53 0.03 0.09 0.00 0.00 178.44 178.92 3a7r h ARG 326 N 0.93 0.58 -0.16 1.13 3.08 -1.06 0.32 114.38 119.21 3a7r h ARG 326 Ca 0.20 -0.36 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 3a7r h ARG 326 Cb 0.34 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3a7r h ARG 326 CO 0.00 0.97 0.03 0.93 -1.07 0.00 0.00 179.97 180.82 3a7r h GLU 327 N 0.45 0.26 -0.50 0.04 5.08 -1.08 -1.95 114.58 116.89 3a7r h GLU 327 Ca 0.01 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.38 3a7r h GLU 327 Cb 1.07 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.23 3a7r h GLU 327 CO 0.10 0.44 0.17 1.25 -1.00 0.00 0.00 179.01 179.96 3a7r h LEU 328 N 0.05 0.15 -0.15 1.33 5.85 -0.69 -1.57 115.31 120.27 3a7r h LEU 328 Ca 0.05 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3a7r h LEU 328 Cb 0.30 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3a7r h LEU 328 CO 0.00 0.11 0.10 -1.28 -0.34 0.00 0.00 178.44 177.03 3a7r h SER 329 N 0.33 0.17 -0.70 1.25 0.87 -0.77 0.18 113.55 114.87 3a7r h SER 329 Ca 0.24 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.73 3a7r h SER 329 Cb 0.27 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 3a7r h SER 329 CO -0.26 0.12 0.15 0.00 -0.53 0.00 0.00 176.83 176.31 3a7r h ALA 330 N 1.06 0.93 -0.15 6.23 0.00 -1.26 -1.54 119.26 124.53 3a7r h ALA 330 Ca 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3a7r h ALA 330 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3a7r h ALA 330 CO -0.02 0.67 0.05 2.35 0.00 0.00 0.00 179.25 182.31 3a7r h TRP 331 N 1.08 0.24 -0.66 0.00 7.01 -1.14 -2.75 115.95 119.71 3a7r h TRP 331 Ca 0.22 -0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.13 3a7r h TRP 331 Cb 0.40 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.37 3a7r h TRP 331 CO 0.03 0.34 0.16 1.98 -2.79 0.00 0.00 178.44 178.16 3a7r h MET 332 N 0.07 1.06 -0.24 2.65 4.05 -0.69 0.10 114.93 121.93 3a7r h MET 332 Ca 0.05 -0.26 0.05 0.00 -0.28 0.00 0.00 59.70 59.26 3a7r h MET 332 Cb 0.21 -0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 30.83 3a7r h MET 332 CO -0.00 0.95 -0.06 0.00 0.23 0.00 0.00 176.91 178.03 3a7r h ALA 333 N 1.07 0.16 -0.02 0.39 0.00 -1.25 -1.98 119.26 117.62 3a7r h ALA 333 Ca 0.21 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 3a7r h ALA 333 Cb 0.37 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3a7r h ALA 333 CO 0.00 -0.47 -0.25 0.78 0.00 0.00 0.00 179.25 179.32 3a7r h GLY 334 N 0.00 0.04 2.00 0.00 0.00 -1.07 -2.20 103.07 101.84 3a7r h GLY 334 Ca 0.11 -0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.32 3a7r h GLY 334 CO -0.24 0.03 -0.44 0.00 0.00 0.00 0.00 176.54 175.88 3a7r h ALA 335 N 1.72 0.92 0.00 3.60 0.00 -0.28 -3.25 119.26 121.96 3a7r h ALA 335 Ca 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3a7r h ALA 335 Cb 0.46 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3a7r h ALA 335 CO 0.03 0.55 -0.95 1.33 0.00 0.00 0.00 179.25 180.22 3a7r n VAL 336 N -3.50 0.00 0.51 0.00 0.24 -0.90 -5.09 118.33 109.59 3a7r n VAL 336 Ca 0.00 -0.12 0.04 0.00 -2.04 0.00 0.00 64.34 62.22 3a7r n VAL 336 Cb 0.57 0.89 0.24 0.00 -1.47 0.00 0.00 33.84 34.08 3a7r n VAL 336 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23