#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3b s SER 40 N 0.00 -0.50 0.85 0.00 1.04 -0.51 -4.96 113.70 109.62 2a3b s SER 40 Ca 0.00 0.71 -0.11 0.00 0.48 0.00 0.00 55.95 57.03 2a3b s SER 40 Cb 0.00 0.63 0.10 0.00 0.10 0.00 0.00 66.02 66.85 2a3b s SER 40 CO 0.00 -0.35 1.09 -0.94 0.98 0.00 0.00 173.24 174.02 2a3b s SER 41 N -0.64 3.84 0.00 7.02 1.04 -1.26 -0.24 113.70 123.46 2a3b s SER 41 Ca -0.03 1.67 0.00 0.00 0.48 0.00 0.00 55.95 58.07 2a3b s SER 41 Cb -0.02 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.76 2a3b s SER 41 CO 0.02 -2.43 0.00 0.61 0.98 0.00 0.00 173.24 172.41 2a3b n GLY 42 N -1.06 -1.47 3.81 7.32 0.00 -1.26 -4.49 105.19 108.05 2a3b n GLY 42 Ca 0.08 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 2a3b n GLY 42 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a3b s TYR 43 N -2.85 3.34 0.08 1.61 2.02 -0.19 -3.99 117.35 117.37 2a3b s TYR 43 Ca 0.00 1.63 0.02 0.00 -0.37 0.00 0.00 57.07 58.35 2a3b s TYR 43 Cb 0.00 -2.87 -0.04 0.00 -0.40 0.00 0.00 41.96 38.65 2a3b s TYR 43 CO 0.00 -0.10 0.15 1.03 -1.57 0.00 0.00 175.55 175.06 2a3b s ARG 44 N -3.04 3.16 -0.28 -0.62 0.52 -0.35 -0.07 118.95 118.27 2a3b s ARG 44 Ca 0.61 -0.59 -0.01 0.00 -0.52 0.00 0.00 55.73 55.22 2a3b s ARG 44 Cb -0.10 -2.87 0.09 0.00 0.52 0.00 0.00 34.95 32.58 2a3b s ARG 44 CO 0.15 0.57 0.07 0.45 0.02 0.00 0.00 175.30 176.56 2a3b s SER 45 N -2.56 3.84 -0.08 0.23 0.15 -1.26 -1.05 113.70 112.97 2a3b s SER 45 Ca 0.32 -1.47 0.02 0.00 0.70 0.00 0.00 55.95 55.52 2a3b s SER 45 Cb -0.12 -0.86 -0.02 0.00 -1.71 0.00 0.00 66.02 63.30 2a3b s SER 45 CO 0.25 -0.38 -0.12 -0.69 1.20 0.00 0.00 173.24 173.50 2a3b s VAL 46 N 1.62 3.18 -0.02 4.45 1.01 0.23 -0.37 120.40 130.50 2a3b s VAL 46 Ca 0.07 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 2a3b s VAL 46 Cb -0.17 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.92 2a3b s VAL 46 CO -0.20 0.57 0.05 0.54 0.00 0.00 0.00 175.10 176.05 2a3b s VAL 47 N -0.35 0.00 0.06 2.92 0.11 -0.74 -0.82 120.40 121.59 2a3b s VAL 47 Ca 0.04 -0.03 -0.27 0.00 -2.93 0.00 0.00 61.98 58.78 2a3b s VAL 47 Cb -0.12 -0.09 -0.05 0.00 -1.53 0.00 0.00 36.38 34.59 2a3b s VAL 47 CO 0.02 -0.02 0.87 -0.31 -3.33 0.00 0.00 175.10 172.33 2a3b s TYR 48 N -0.03 3.75 -0.24 1.54 1.51 -0.67 -0.82 117.35 122.39 2a3b s TYR 48 Ca -0.01 1.62 -0.01 0.00 -1.01 0.00 0.00 57.07 57.66 2a3b s TYR 48 Cb -0.01 -2.95 0.02 0.00 -0.11 0.00 0.00 41.96 38.92 2a3b s TYR 48 CO 0.00 0.20 -0.08 0.12 -1.11 0.00 0.00 175.55 174.69 2a3b s PHE 49 N 0.13 3.03 -0.04 2.71 2.19 0.17 -0.81 117.98 125.37 2a3b s PHE 49 Ca 0.43 -1.54 -0.17 0.00 0.33 0.00 0.00 56.93 55.99 2a3b s PHE 49 Cb -0.22 -2.04 -0.05 0.00 -1.31 0.00 0.00 43.02 39.40 2a3b s PHE 49 CO 0.26 -0.73 0.45 0.14 1.83 0.00 0.00 175.22 177.18 2a3b s VAL 50 N 1.33 5.05 0.29 3.12 -7.23 -1.26 -1.36 120.40 120.34 2a3b s VAL 50 Ca 0.01 0.93 0.37 0.00 -1.81 0.00 0.00 61.98 61.48 2a3b s VAL 50 Cb -0.16 -3.78 0.40 0.00 0.56 0.00 0.00 36.38 33.41 2a3b s VAL 50 CO -0.05 0.48 2.12 -0.55 -0.31 0.00 0.00 175.10 176.79 2a3b h ASN 51 N 5.45 0.00 -0.01 4.85 7.08 -0.72 -1.13 115.58 131.10 2a3b h ASN 51 Ca -0.47 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.75 2a3b h ASN 51 Cb 1.20 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.44 2a3b h ASN 51 CO 0.67 0.00 0.00 -2.67 -2.08 0.00 0.00 177.43 173.35 2a3b n TRP 52 N -3.02 0.01 0.29 4.14 2.14 -1.26 -3.48 117.44 116.25 2a3b n TRP 52 Ca -0.01 -0.00 0.18 0.00 2.07 0.00 0.00 57.50 59.74 2a3b n TRP 52 Cb 0.20 0.00 0.78 0.00 -0.81 0.00 0.00 31.31 31.48 2a3b n TRP 52 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2a3b h ALA 53 N 4.00 1.00 0.00 -1.67 0.00 -1.47 -2.63 119.26 118.49 2a3b h ALA 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2a3b h ALA 53 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2a3b h ALA 53 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.69 2a3b n ILE 54 N -3.07 0.50 0.00 0.00 -5.35 -1.18 -1.20 119.36 109.07 2a3b n ILE 54 Ca -0.00 0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.61 2a3b n ILE 54 Cb 0.26 -0.81 0.00 0.00 -1.74 0.00 0.00 39.64 37.36 2a3b n ILE 54 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2a3b n TYR 55 N -1.35 0.00 -0.21 4.28 4.01 -0.99 -4.36 117.16 118.53 2a3b n TYR 55 Ca 0.08 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.91 2a3b n TYR 55 Cb 0.17 0.00 0.38 0.00 -0.31 0.00 0.00 39.34 39.58 2a3b n TYR 55 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2a3b h GLY 56 N 0.00 1.02 2.00 2.72 0.00 -1.81 -0.61 103.07 106.39 2a3b h GLY 56 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2a3b h GLY 56 CO 0.00 0.16 0.00 3.21 0.00 0.00 0.00 176.54 179.91 2a3b h ARG 57 N 0.70 0.00 -6.60 4.80 3.08 -1.82 -3.47 114.38 111.07 2a3b h ARG 57 Ca 0.37 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.90 2a3b h ARG 57 Cb 0.49 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.49 2a3b h ARG 57 CO -0.14 0.00 -0.92 -1.71 -1.07 0.00 0.00 179.97 176.13 2a3b n ASN 58 N -2.65 -1.23 -3.96 7.04 4.05 -0.24 -4.96 115.26 113.31 2a3b n ASN 58 Ca 0.01 -1.09 -0.25 0.00 0.45 0.00 0.00 54.58 53.71 2a3b n ASN 58 Cb 0.27 -2.72 -0.17 0.00 1.23 0.00 0.00 39.78 38.40 2a3b n ASN 58 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 177.26 171.93 2a3b s HIS 59 N -3.92 1.41 0.32 1.20 2.46 -0.34 -5.00 115.29 111.42 2a3b s HIS 59 Ca 0.12 -0.59 0.10 0.00 0.47 0.00 0.00 55.06 55.17 2a3b s HIS 59 Cb -0.05 -1.10 -0.06 0.00 -0.13 0.00 0.00 32.58 31.24 2a3b s HIS 59 CO 0.91 -0.37 -0.12 -0.80 -2.47 0.00 0.00 174.74 171.90 2a3b s ASN 60 N 1.11 3.76 0.39 9.88 0.01 -1.26 -3.08 114.94 125.75 2a3b s ASN 60 Ca -0.06 -1.10 0.14 0.00 -0.71 0.00 0.00 52.86 51.13 2a3b s ASN 60 Cb -0.14 -0.37 0.97 0.00 0.41 0.00 0.00 41.25 42.11 2a3b s ASN 60 CO -0.01 -0.11 1.86 -0.65 -1.51 0.00 0.00 177.10 176.67 2a3b h PRO 61 N 2.08 0.51 0.00 -0.60 0.11 -1.94 0.15 132.00 132.32 2a3b h PRO 61 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2a3b h PRO 61 Cb 1.25 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2a3b h PRO 61 CO 0.66 0.34 0.15 1.96 -0.21 0.00 0.00 178.00 180.90 2a3b h GLN 62 N 0.53 0.00 -0.00 1.05 7.50 -1.96 -1.01 115.11 121.21 2a3b h GLN 62 Ca 0.46 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.61 2a3b h GLN 62 Cb 0.98 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.51 2a3b h GLN 62 CO -0.20 0.00 -0.29 -0.25 -1.50 0.00 0.00 178.83 176.59 2a3b n ASP 63 N -2.90 0.42 -4.77 1.46 8.00 0.52 -4.93 116.55 114.34 2a3b n ASP 63 Ca -0.02 -0.17 -0.41 0.00 0.71 0.00 0.00 54.79 54.90 2a3b n ASP 63 Cb 0.21 -0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.30 2a3b n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2a3b s LEU 64 N -2.87 4.35 -1.41 0.64 1.43 -0.39 -4.88 118.68 115.55 2a3b s LEU 64 Ca 0.16 2.83 -0.14 0.00 -1.03 0.00 0.00 54.13 55.94 2a3b s LEU 64 Cb 0.18 -3.69 0.02 0.00 0.03 0.00 0.00 46.19 42.73 2a3b s LEU 64 CO 0.61 -0.71 2.24 -0.81 0.23 0.00 0.00 176.35 177.90 2a3b n PRO 65 N 0.57 2.78 -0.24 1.29 -0.04 -1.26 -4.78 135.00 133.32 2a3b n PRO 65 Ca 0.01 -2.52 0.20 0.00 -0.04 0.00 0.00 63.50 61.14 2a3b n PRO 65 Cb 0.41 -3.24 0.52 0.00 -0.04 0.00 0.00 33.50 31.16 2a3b n PRO 65 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2a3b h VAL 66 N 3.99 0.67 0.00 0.52 -1.51 -1.94 0.08 116.25 118.06 2a3b h VAL 66 Ca 0.57 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.91 2a3b h VAL 66 Cb 0.62 0.25 0.00 0.00 -2.13 0.00 0.00 31.29 30.04 2a3b h VAL 66 CO 1.89 0.07 0.00 -0.33 -1.23 0.00 0.00 177.57 177.97 2a3b h GLU 67 N 0.38 0.00 -0.37 5.19 4.39 -2.00 -2.99 114.58 119.17 2a3b h GLU 67 Ca 0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.17 2a3b h GLU 67 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2a3b h GLU 67 CO -0.17 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.22 2a3b n ARG 68 N -2.67 3.27 -4.25 2.33 1.74 0.01 -4.92 116.66 112.18 2a3b n ARG 68 Ca 0.01 -2.72 -0.17 0.00 -0.77 0.00 0.00 57.85 54.20 2a3b n ARG 68 Cb 0.26 -1.78 -0.11 0.00 -1.02 0.00 0.00 32.46 29.82 2a3b n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2a3b s LEU 69 N -2.30 2.45 -0.01 0.55 1.43 -1.13 -4.85 118.68 114.81 2a3b s LEU 69 Ca 0.41 -0.88 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 2a3b s LEU 69 Cb 0.30 -0.49 -0.03 0.00 0.03 0.00 0.00 46.19 46.01 2a3b s LEU 69 CO 0.13 -0.21 0.02 0.35 0.23 0.00 0.00 176.35 176.87 2a3b n THR 70 N 0.25 0.09 -3.85 5.49 -2.24 0.50 -4.70 114.28 109.83 2a3b n THR 70 Ca -0.13 -0.07 -0.12 0.00 -2.27 0.00 0.00 64.05 61.45 2a3b n THR 70 Cb 0.58 -0.57 -0.13 0.00 -2.10 0.00 0.00 70.33 68.11 2a3b n THR 70 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2a3b s HIS 71 N -2.07 -0.07 -0.09 4.78 3.76 -0.62 -1.19 115.29 119.78 2a3b s HIS 71 Ca -0.01 0.18 0.04 0.00 -0.15 0.00 0.00 55.06 55.12 2a3b s HIS 71 Cb 0.01 0.02 -0.00 0.00 1.11 0.00 0.00 32.58 33.72 2a3b s HIS 71 CO 0.08 -0.04 -0.23 0.08 -0.85 0.00 0.00 174.74 173.78 2a3b s VAL 72 N 0.01 2.20 -0.31 -0.90 1.01 0.01 -1.79 120.40 120.63 2a3b s VAL 72 Ca -0.00 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 60.91 2a3b s VAL 72 Cb -0.01 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.54 2a3b s VAL 72 CO 0.00 0.56 0.13 -0.76 0.00 0.00 0.00 175.10 175.03 2a3b s LEU 73 N 0.21 4.10 -0.44 3.92 1.43 -0.00 -1.02 118.68 126.88 2a3b s LEU 73 Ca -0.14 -0.66 -0.22 0.00 -1.03 0.00 0.00 54.13 52.07 2a3b s LEU 73 Cb -0.17 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.12 2a3b s LEU 73 CO 0.07 -0.22 0.74 -0.47 0.23 0.00 0.00 176.35 176.70 2a3b s TYR 74 N 1.56 3.02 -0.12 0.29 5.04 0.55 -0.66 117.35 127.03 2a3b s TYR 74 Ca 0.03 0.10 -0.04 0.00 -2.44 0.00 0.00 57.07 54.73 2a3b s TYR 74 Cb -0.17 -3.54 -0.04 0.00 0.35 0.00 0.00 41.96 38.56 2a3b s TYR 74 CO 0.05 -0.94 0.03 0.00 -1.34 0.00 0.00 175.55 173.36 2a3b s ALA 75 N 3.12 3.39 0.07 3.97 0.00 -0.46 -1.08 121.76 130.77 2a3b s ALA 75 Ca 0.27 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.47 2a3b s ALA 75 Cb -0.13 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 2a3b s ALA 75 CO 0.21 0.47 -0.05 -0.06 0.00 0.00 0.00 175.76 176.33 2a3b s PHE 76 N -0.50 0.67 0.12 0.00 0.08 -1.26 0.10 117.98 117.18 2a3b s PHE 76 Ca 0.10 -0.90 0.03 0.00 0.12 0.00 0.00 56.93 56.27 2a3b s PHE 76 Cb -0.12 -0.43 -0.04 0.00 -0.57 0.00 0.00 43.02 41.87 2a3b s PHE 76 CO 0.02 -0.24 0.18 0.00 -0.10 0.00 0.00 175.22 175.08 2a3b s ALA 77 N -3.32 3.76 0.46 5.36 0.00 -0.23 -4.18 121.76 123.60 2a3b s ALA 77 Ca 0.05 -1.05 0.08 0.00 0.00 0.00 0.00 51.96 51.04 2a3b s ALA 77 Cb 0.03 -1.58 0.01 0.00 0.00 0.00 0.00 23.12 21.58 2a3b s ALA 77 CO -0.06 0.63 0.49 1.21 0.00 0.00 0.00 175.76 178.03 2a3b s ASN 78 N -2.87 5.16 -0.05 0.00 2.47 0.14 -1.81 114.94 117.98 2a3b s ASN 78 Ca 0.32 -0.74 0.01 0.00 0.42 0.00 0.00 52.86 52.87 2a3b s ASN 78 Cb -0.11 -0.35 0.02 0.00 -1.45 0.00 0.00 41.25 39.36 2a3b s ASN 78 CO 0.25 -0.83 -0.04 0.54 -3.72 0.00 0.00 177.10 173.30 2a3b s VAL 79 N -2.51 0.50 -0.09 -5.21 0.11 -1.26 -1.29 120.40 110.65 2a3b s VAL 79 Ca 0.50 -0.08 -0.30 0.00 -2.93 0.00 0.00 61.98 59.18 2a3b s VAL 79 Cb -0.05 -0.55 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 2a3b s VAL 79 CO 0.30 0.23 1.34 -0.13 -3.33 0.00 0.00 175.10 173.51 2a3b s ARG 80 N 1.09 4.26 0.37 1.54 0.52 0.53 -4.79 118.95 122.47 2a3b s ARG 80 Ca -0.08 1.82 0.04 0.00 -0.52 0.00 0.00 55.73 56.98 2a3b s ARG 80 Cb -0.14 -3.71 0.72 0.00 0.52 0.00 0.00 34.95 32.34 2a3b s ARG 80 CO -0.01 -0.64 2.02 -1.00 0.02 0.00 0.00 175.30 175.69 2a3b h PRO 81 N 8.16 0.70 0.00 3.54 0.13 -1.91 0.43 132.00 143.06 2a3b h PRO 81 Ca -0.33 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.73 2a3b h PRO 81 Cb 1.14 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 2a3b h PRO 81 CO 0.93 0.48 -0.37 1.05 -0.23 0.00 0.00 178.00 179.87 2a3b h GLU 82 N 0.72 0.00 0.00 0.86 9.09 -1.91 -2.87 114.58 120.48 2a3b h GLU 82 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.60 2a3b h GLU 82 Cb -0.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.04 2a3b h GLU 82 CO -0.04 0.11 -0.81 0.25 0.05 0.00 0.00 179.01 178.57 2a3b n THR 83 N -3.03 0.00 -0.68 -1.06 -2.24 -1.15 -4.99 114.28 101.14 2a3b n THR 83 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2a3b n THR 83 Cb 0.59 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 2a3b n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a3b n GLY 84 N 2.06 0.82 3.71 3.38 0.00 0.15 -4.47 105.19 110.84 2a3b n GLY 84 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2a3b n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2a3b s GLU 85 N -0.32 4.21 -0.16 1.61 2.12 -1.25 -2.82 118.70 122.09 2a3b s GLU 85 Ca 0.00 2.36 -0.13 0.00 0.36 0.00 0.00 54.97 57.56 2a3b s GLU 85 Cb 0.00 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 31.08 2a3b s GLU 85 CO 0.00 -0.64 0.25 0.08 -0.54 0.00 0.00 175.26 174.42 2a3b s VAL 86 N 1.50 5.33 0.03 3.70 1.01 -1.26 -0.35 120.40 130.35 2a3b s VAL 86 Ca 0.71 0.47 -0.08 0.00 0.00 0.00 0.00 61.98 63.07 2a3b s VAL 86 Cb -0.43 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2a3b s VAL 86 CO 0.31 0.43 0.16 -0.72 0.00 0.00 0.00 175.10 175.29 2a3b s TYR 87 N 0.24 0.07 0.60 5.22 1.13 -0.41 -4.59 117.35 119.61 2a3b s TYR 87 Ca 0.15 -0.26 -0.17 0.00 -1.41 0.00 0.00 57.07 55.38 2a3b s TYR 87 Cb -0.13 -0.05 -0.03 0.00 -1.10 0.00 0.00 41.96 40.65 2a3b s TYR 87 CO 0.03 -0.38 1.11 -1.64 -2.51 0.00 0.00 175.55 172.17 2a3b s MET 88 N -2.20 3.13 0.00 -3.49 -1.94 -1.26 -0.68 119.30 112.86 2a3b s MET 88 Ca -0.08 1.47 0.10 0.00 -1.71 0.00 0.00 55.69 55.47 2a3b s MET 88 Cb -0.03 -1.99 -0.00 0.00 2.01 0.00 0.00 34.83 34.82 2a3b s MET 88 CO -0.02 -1.00 0.61 0.25 -0.01 0.00 0.00 175.02 174.84 2a3b n THR 89 N -1.84 0.00 -3.35 2.05 -2.24 -1.26 -4.83 114.28 102.81 2a3b n THR 89 Ca 0.11 -0.40 -0.14 0.00 -2.27 0.00 0.00 64.05 61.34 2a3b n THR 89 Cb 0.52 1.11 -0.08 0.00 -2.10 0.00 0.00 70.33 69.78 2a3b n THR 89 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2a3b s ASP 90 N -1.32 1.03 0.33 3.42 -1.08 -1.26 -5.02 116.67 112.78 2a3b s ASP 90 Ca 0.08 -1.02 0.05 0.00 -0.52 0.00 0.00 52.55 51.14 2a3b s ASP 90 Cb 0.08 0.73 0.68 0.00 -1.46 0.00 0.00 42.92 42.95 2a3b s ASP 90 CO 0.24 -0.32 1.88 0.28 0.52 0.00 0.00 175.17 177.77 2a3b h SER 91 N 7.68 0.78 0.56 -0.34 0.02 -1.98 0.46 113.55 120.73 2a3b h SER 91 Ca -0.04 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 2a3b h SER 91 Cb 1.08 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.50 2a3b h SER 91 CO 0.25 0.44 -0.27 -0.25 -1.14 0.00 0.00 176.83 175.86 2a3b h TRP 92 N 0.85 -0.70 -0.47 3.45 2.91 -1.95 0.77 115.95 120.81 2a3b h TRP 92 Ca 0.43 -0.02 -0.10 0.00 1.13 0.00 0.00 58.89 60.33 2a3b h TRP 92 Cb 0.49 0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 29.36 2a3b h TRP 92 CO -0.00 -0.37 -0.09 0.00 -1.03 0.00 0.00 178.44 176.95 2a3b h ALA 93 N -0.71 0.65 0.33 2.65 0.00 -1.83 0.17 119.26 120.52 2a3b h ALA 93 Ca -0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2a3b h ALA 93 Cb 0.64 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2a3b h ALA 93 CO 0.13 0.53 -0.16 -0.44 0.00 0.00 0.00 179.25 179.31 2a3b h ASP 94 N 0.75 -0.37 0.00 0.00 3.32 -0.15 -0.35 116.42 119.62 2a3b h ASP 94 Ca 0.12 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2a3b h ASP 94 Cb 0.64 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2a3b h ASP 94 CO 0.04 0.05 0.00 2.30 -1.72 0.00 0.00 179.24 179.91 2a3b n ILE 95 N -5.11 0.00 -0.09 0.35 -5.35 -0.45 -1.74 119.36 106.97 2a3b n ILE 95 Ca -0.09 -0.16 -0.10 0.00 -0.27 0.00 0.00 62.75 62.12 2a3b n ILE 95 Cb 0.27 1.23 -0.13 0.00 -1.74 0.00 0.00 39.64 39.27 2a3b n ILE 95 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2a3b n GLU 96 N -0.21 1.00 -1.60 6.28 1.02 0.14 -0.63 120.64 126.64 2a3b n GLU 96 Ca 0.00 0.03 -0.46 0.00 -0.02 0.00 0.00 57.16 56.71 2a3b n GLU 96 Cb 0.06 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 2a3b n GLU 96 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2a3b n LYS 97 N -2.78 1.41 -3.53 3.49 4.81 0.59 -4.51 118.16 117.64 2a3b n LYS 97 Ca -0.31 0.50 -0.37 0.00 -0.87 0.00 0.00 58.31 57.26 2a3b n LYS 97 Cb 1.03 -1.98 -0.07 0.00 0.02 0.00 0.00 35.03 34.03 2a3b n LYS 97 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 2a3b s HIS 98 N -0.53 3.48 0.24 5.64 3.76 -1.26 -0.91 115.29 125.72 2a3b s HIS 98 Ca 0.66 0.63 0.10 0.00 -0.15 0.00 0.00 55.06 56.31 2a3b s HIS 98 Cb -0.75 -2.34 -0.04 0.00 1.11 0.00 0.00 32.58 30.56 2a3b s HIS 98 CO 0.55 0.28 -0.10 0.71 -0.85 0.00 0.00 174.74 175.32 2a3b s TYR 99 N 0.33 2.53 0.12 1.40 2.02 -1.26 -5.01 117.35 117.48 2a3b s TYR 99 Ca 0.17 -0.26 -0.35 0.00 -0.37 0.00 0.00 57.07 56.26 2a3b s TYR 99 Cb -0.13 -1.15 -0.15 0.00 -0.40 0.00 0.00 41.96 40.13 2a3b s TYR 99 CO 0.05 0.62 1.49 -2.30 -1.57 0.00 0.00 175.55 173.84 2a3b n PRO 100 N -0.51 1.74 0.00 -1.71 -0.02 -1.26 -1.03 135.00 132.21 2a3b n PRO 100 Ca -0.07 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2a3b n PRO 100 Cb 0.58 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2a3b n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a3b n GLY 101 N 3.09 0.41 3.72 -1.23 0.00 -1.26 -5.07 105.19 104.85 2a3b n GLY 101 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2a3b n GLY 101 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2a3b s ASP 102 N -2.41 6.49 -0.00 1.61 1.01 -0.20 -5.08 116.67 118.09 2a3b s ASP 102 Ca 0.00 0.58 0.03 0.00 0.71 0.00 0.00 52.55 53.87 2a3b s ASP 102 Cb 0.00 -2.21 -0.01 0.00 1.01 0.00 0.00 42.92 41.71 2a3b s ASP 102 CO 0.00 0.06 -0.10 -0.94 0.21 0.00 0.00 175.17 174.39 2a3b s SER 103 N 0.58 1.21 0.00 0.27 1.04 -1.26 -4.88 113.70 110.65 2a3b s SER 103 Ca 0.19 -0.22 0.16 0.00 0.48 0.00 0.00 55.95 56.56 2a3b s SER 103 Cb -0.14 -0.12 0.80 0.00 0.10 0.00 0.00 66.02 66.66 2a3b s SER 103 CO 0.06 0.10 1.47 0.79 0.98 0.00 0.00 173.24 176.64 2a3b n TRP 104 N 2.69 0.00 0.29 5.02 5.03 -1.26 -2.68 117.44 126.54 2a3b n TRP 104 Ca -0.14 0.00 0.17 0.00 3.03 0.00 0.00 57.50 60.56 2a3b n TRP 104 Cb 0.56 -0.31 0.84 0.00 -1.03 0.00 0.00 31.31 31.37 2a3b n TRP 104 CO 0.00 0.00 0.00 0.66 -0.03 0.00 0.00 177.69 178.32 2a3b h SER 105 N 0.00 0.00 -2.76 -0.99 4.64 -2.02 -3.41 113.55 109.01 2a3b h SER 105 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2a3b h SER 105 Cb 0.17 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.28 2a3b h SER 105 CO 0.00 0.00 0.94 -1.81 -0.87 0.00 0.00 176.83 175.09 2a3b s ASP 106 N -4.91 6.63 0.60 4.97 1.01 -1.09 -4.98 116.67 118.90 2a3b s ASP 106 Ca -0.01 2.48 -0.03 0.00 0.71 0.00 0.00 52.55 55.69 2a3b s ASP 106 Cb 0.10 -2.57 0.03 0.00 1.01 0.00 0.00 42.92 41.49 2a3b s ASP 106 CO 0.40 -0.84 0.87 0.42 0.21 0.00 0.00 175.17 176.22 2a3b s THR 107 N 2.17 2.98 0.00 -1.27 -4.23 -1.26 -4.92 115.64 109.11 2a3b s THR 107 Ca 0.72 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 2a3b s THR 107 Cb -0.40 -3.19 0.00 0.00 1.34 0.00 0.00 72.50 70.26 2a3b s THR 107 CO 0.31 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.83 2a3b n GLY 108 N -2.56 -0.32 3.48 3.99 0.00 -1.26 -4.72 105.19 103.80 2a3b n GLY 108 Ca 0.06 -1.06 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 2a3b n GLY 108 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2a3b s ASN 109 N -4.00 5.49 0.12 1.61 2.47 -1.26 -4.99 114.94 114.38 2a3b s ASN 109 Ca 0.00 -0.25 0.09 0.00 0.42 0.00 0.00 52.86 53.13 2a3b s ASN 109 Cb 0.00 -2.00 -0.04 0.00 -1.45 0.00 0.00 41.25 37.76 2a3b s ASN 109 CO 0.00 -0.09 -0.23 0.20 -3.72 0.00 0.00 177.10 173.26 2a3b s ASN 110 N 1.65 2.88 -0.14 -4.21 0.01 -1.26 0.07 114.94 113.95 2a3b s ASN 110 Ca 0.06 -0.72 -0.03 0.00 -0.71 0.00 0.00 52.86 51.47 2a3b s ASN 110 Cb -0.16 -0.17 -0.03 0.00 0.41 0.00 0.00 41.25 41.30 2a3b s ASN 110 CO 0.06 0.11 -0.05 0.54 -1.51 0.00 0.00 177.10 176.25 2a3b s VAL 111 N -1.15 3.77 0.00 1.60 0.11 -1.26 -5.00 120.40 118.46 2a3b s VAL 111 Ca 0.10 -0.41 0.00 0.00 -2.93 0.00 0.00 61.98 58.74 2a3b s VAL 111 Cb -0.10 -2.62 0.00 0.00 -1.53 0.00 0.00 36.38 32.13 2a3b s VAL 111 CO 0.05 0.52 0.00 -1.22 -3.33 0.00 0.00 175.10 171.12 2a3b n TYR 112 N 3.31 0.00 -4.57 1.54 4.02 0.20 -4.51 117.16 117.15 2a3b n TYR 112 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 2a3b n TYR 112 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 2a3b n TYR 112 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2a3b n GLY 113 N 4.31 0.96 0.25 2.72 0.00 -0.09 -2.07 105.19 111.27 2a3b n GLY 113 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2a3b n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a3b h ILE 115 N 0.34 0.97 -0.53 0.00 1.08 -1.31 0.14 117.51 118.20 2a3b h ILE 115 Ca 0.07 -0.06 -0.04 0.00 -0.39 0.00 0.00 64.86 64.44 2a3b h ILE 115 Cb 0.44 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 34.96 2a3b h ILE 115 CO 0.03 0.03 0.18 0.50 -0.69 0.00 0.00 178.15 178.20 2a3b h LYS 116 N 0.17 0.81 -0.73 2.37 3.64 -1.38 -2.04 116.57 119.41 2a3b h LYS 116 Ca 0.08 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2a3b h LYS 116 Cb 0.03 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 2a3b h LYS 116 CO -0.07 0.74 0.47 1.96 -2.27 0.00 0.00 179.45 180.28 2a3b h GLN 117 N 0.73 0.97 -0.42 1.90 1.08 -1.28 -1.03 115.11 117.05 2a3b h GLN 117 Ca 0.17 -0.07 -0.14 0.00 -1.45 0.00 0.00 58.65 57.17 2a3b h GLN 117 Cb 0.25 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 2a3b h GLN 117 CO -0.01 0.65 -0.29 -0.07 -0.95 0.00 0.00 178.83 178.16 2a3b h LEU 118 N 0.99 0.97 -0.77 1.46 3.38 -0.54 -2.55 115.31 118.25 2a3b h LEU 118 Ca 0.27 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2a3b h LEU 118 Cb -0.09 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.35 2a3b h LEU 118 CO -0.06 1.18 0.35 0.22 0.09 0.00 0.00 178.44 180.23 2a3b h TYR 119 N 0.78 1.12 -0.76 1.13 3.20 -0.74 -1.86 116.97 119.84 2a3b h TYR 119 Ca 0.09 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2a3b h TYR 119 Cb 0.87 -0.35 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 2a3b h TYR 119 CO 0.05 0.83 0.49 -0.07 -1.64 0.00 0.00 178.16 177.83 2a3b h LEU 120 N 1.09 0.88 -0.78 2.82 3.38 -1.02 -1.48 115.31 120.19 2a3b h LEU 120 Ca 0.26 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 2a3b h LEU 120 Cb 0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2a3b h LEU 120 CO -0.03 0.65 0.07 -0.07 0.09 0.00 0.00 178.44 179.14 2a3b h LEU 121 N 1.03 0.95 -1.48 1.67 3.38 -1.00 -2.04 115.31 117.82 2a3b h LEU 121 Ca 0.28 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2a3b h LEU 121 Cb -0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 2a3b h LEU 121 CO -0.06 0.96 0.02 0.11 0.09 0.00 0.00 178.44 179.56 2a3b h LYS 122 N 0.92 0.35 -0.14 1.13 1.57 -0.51 0.18 116.57 120.07 2a3b h LYS 122 Ca 0.18 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.74 2a3b h LYS 122 Cb 0.44 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2a3b h LYS 122 CO 0.02 0.37 -0.62 0.87 -0.57 0.00 0.00 179.45 179.51 2a3b h LYS 123 N 0.34 0.50 0.00 3.15 1.57 -0.82 -3.19 116.57 118.13 2a3b h LYS 123 Ca 0.08 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2a3b h LYS 123 Cb 0.21 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2a3b h LYS 123 CO 0.00 0.96 -0.12 1.96 -0.57 0.00 0.00 179.45 181.69 2a3b h GLN 124 N 0.37 0.00 -2.61 3.15 4.20 -0.77 -3.40 115.11 116.05 2a3b h GLN 124 Ca -0.01 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 2a3b h GLN 124 Cb 1.17 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 28.56 2a3b h GLN 124 CO 0.11 0.00 -0.82 -0.80 -0.67 0.00 0.00 178.83 176.65 2a3b s ASN 125 N -5.62 3.03 0.17 1.46 0.01 -0.00 -5.00 114.94 109.00 2a3b s ASN 125 Ca 0.07 -1.90 0.15 0.00 -0.71 0.00 0.00 52.86 50.47 2a3b s ASN 125 Cb 0.08 -0.33 0.73 0.00 0.41 0.00 0.00 41.25 42.13 2a3b s ASN 125 CO 0.66 -0.34 1.46 0.54 -1.51 0.00 0.00 177.10 177.91 2a3b n ARG 126 N 4.39 0.09 -0.18 -0.60 5.12 -1.23 -1.39 116.66 122.87 2a3b n ARG 126 Ca 0.07 0.50 0.11 0.00 -1.93 0.00 0.00 57.85 56.61 2a3b n ARG 126 Cb 0.39 -1.75 0.25 0.00 -1.16 0.00 0.00 32.46 30.19 2a3b n ARG 126 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2a3b n ASN 127 N -1.94 3.04 -4.56 0.55 5.15 -1.26 -0.15 115.26 116.10 2a3b n ASN 127 Ca 0.00 -1.94 -0.40 0.00 -0.60 0.00 0.00 54.58 51.65 2a3b n ASN 127 Cb 0.08 -0.23 -0.10 0.00 -0.53 0.00 0.00 39.78 39.00 2a3b n ASN 127 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2a3b s LEU 128 N -1.46 4.30 -0.07 1.20 2.96 -0.49 -4.65 118.68 120.47 2a3b s LEU 128 Ca 0.37 -0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 54.07 2a3b s LEU 128 Cb 0.21 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 2a3b s LEU 128 CO 0.30 -0.21 0.13 -0.54 -1.32 0.00 0.00 176.35 174.71 2a3b s LYS 129 N 1.87 3.34 -0.18 1.98 3.01 -0.34 -4.70 119.74 124.72 2a3b s LYS 129 Ca 0.09 -0.25 0.01 0.00 -1.01 0.00 0.00 55.97 54.81 2a3b s LYS 129 Cb -0.17 -3.08 0.02 0.00 -1.01 0.00 0.00 37.83 33.60 2a3b s LYS 129 CO 0.11 0.73 -0.18 0.08 0.51 0.00 0.00 175.35 176.60 2a3b s VAL 130 N -1.11 1.96 0.12 3.17 1.01 -1.26 -0.81 120.40 123.47 2a3b s VAL 130 Ca 0.19 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.31 2a3b s VAL 130 Cb -0.12 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2a3b s VAL 130 CO 0.09 0.48 -0.05 -0.76 0.00 0.00 0.00 175.10 174.86 2a3b s LEU 131 N 1.32 3.23 -0.19 3.92 1.02 -0.19 0.30 118.68 128.10 2a3b s LEU 131 Ca 0.04 -0.33 -0.18 0.00 0.02 0.00 0.00 54.13 53.68 2a3b s LEU 131 Cb -0.14 -1.97 -0.03 0.00 0.02 0.00 0.00 46.19 44.07 2a3b s LEU 131 CO -0.12 0.15 0.49 -0.22 0.02 0.00 0.00 176.35 176.68 2a3b s LEU 132 N -2.42 4.17 -0.20 1.79 2.96 -0.82 -0.33 118.68 123.82 2a3b s LEU 132 Ca 0.24 0.67 -0.15 0.00 -0.22 0.00 0.00 54.13 54.67 2a3b s LEU 132 Cb -0.11 -2.67 -0.04 0.00 0.50 0.00 0.00 46.19 43.87 2a3b s LEU 132 CO 0.16 -0.14 0.36 -0.44 -1.32 0.00 0.00 176.35 174.98 2a3b s SER 133 N 1.06 6.39 -0.17 3.68 0.01 -0.24 -0.33 113.70 124.10 2a3b s SER 133 Ca 0.23 0.46 -0.03 0.00 1.31 0.00 0.00 55.95 57.93 2a3b s SER 133 Cb -0.15 -2.21 -0.02 0.00 0.21 0.00 0.00 66.02 63.85 2a3b s SER 133 CO 0.09 -0.05 -0.06 -0.63 0.41 0.00 0.00 173.24 173.01 2a3b s ILE 134 N 1.23 3.58 0.00 1.44 1.01 0.90 -1.07 121.20 128.30 2a3b s ILE 134 Ca 0.17 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.37 2a3b s ILE 134 Cb -0.14 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.75 2a3b s ILE 134 CO 0.07 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.10 2a3b n GLY 135 N 3.91 0.35 0.00 6.18 0.00 -0.75 -0.10 105.19 114.78 2a3b n GLY 135 Ca -0.18 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2a3b n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a3b n GLY 136 N 0.00 1.07 0.13 -0.02 0.00 -0.28 -4.31 105.19 101.78 2a3b n GLY 136 Ca 0.00 -2.06 -0.09 0.00 0.00 0.00 0.00 46.02 43.87 2a3b n GLY 136 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2a3b h TRP 137 N 0.00 -0.19 -0.51 1.61 6.55 -1.93 -0.89 115.95 120.60 2a3b h TRP 137 Ca 0.00 0.02 -0.04 0.00 0.95 0.00 0.00 58.89 59.82 2a3b h TRP 137 Cb 0.00 0.11 -0.02 0.00 -0.86 0.00 0.00 29.16 28.39 2a3b h TRP 137 CO 0.00 -0.13 0.16 1.15 -1.05 0.00 0.00 178.44 178.58 2a3b h THR 138 N -0.06 1.23 -0.00 1.49 2.02 -1.98 -3.21 112.91 112.40 2a3b h THR 138 Ca 0.10 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.51 2a3b h THR 138 Cb 0.20 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 2a3b h THR 138 CO -0.22 0.28 -0.39 -1.22 0.37 0.00 0.00 175.52 174.35 2a3b n TYR 139 N -4.49 0.00 -0.03 3.16 4.01 -1.17 -4.42 117.16 114.22 2a3b n TYR 139 Ca 0.02 0.00 0.22 0.00 -0.16 0.00 0.00 57.90 57.97 2a3b n TYR 139 Cb 0.19 -0.26 0.70 0.00 -0.31 0.00 0.00 39.34 39.66 2a3b n TYR 139 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2a3b h SER 140 N 0.19 0.00 0.19 7.72 0.02 -1.16 -1.77 113.55 118.74 2a3b h SER 140 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2a3b h SER 140 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2a3b h SER 140 CO 0.00 0.00 0.00 -2.65 -1.14 0.00 0.00 176.83 173.04 2a3b n PRO 141 N -4.35 0.15 0.04 3.45 -0.02 -1.26 -1.96 135.00 131.05 2a3b n PRO 141 Ca 0.11 0.58 0.13 0.00 -2.02 0.00 0.00 63.50 62.30 2a3b n PRO 141 Cb 0.67 -1.92 0.38 0.00 -0.02 0.00 0.00 33.50 32.61 2a3b n PRO 141 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2a3b n ASN 142 N -2.22 0.49 0.01 2.55 3.02 -0.66 -4.18 115.26 114.26 2a3b n ASN 142 Ca -0.00 0.27 -0.13 0.00 -0.03 0.00 0.00 54.58 54.69 2a3b n ASN 142 Cb 0.08 -0.26 -0.09 0.00 -0.61 0.00 0.00 39.78 38.90 2a3b n ASN 142 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 2a3b h PHE 143 N 0.00 -0.03 -0.37 3.10 0.04 -1.57 -2.60 116.94 115.50 2a3b h PHE 143 Ca 0.00 -0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.85 2a3b h PHE 143 Cb 0.62 0.01 -0.09 0.00 2.20 0.00 0.00 35.95 38.69 2a3b h PHE 143 CO 0.00 0.37 -0.32 0.00 -0.60 0.00 0.00 178.31 177.76 2a3b h ALA 144 N 0.51 -0.20 -0.43 2.45 0.00 -1.77 -0.44 119.26 119.38 2a3b h ALA 144 Ca -0.00 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2a3b h ALA 144 Cb 0.42 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2a3b h ALA 144 CO 0.01 -0.73 -0.16 -1.00 0.00 0.00 0.00 179.25 177.36 2a3b h PRO 145 N -0.27 0.87 -0.81 0.00 0.13 -1.81 -2.28 132.00 127.84 2a3b h PRO 145 Ca 0.16 -0.36 0.03 0.00 -0.87 0.00 0.00 66.00 64.97 2a3b h PRO 145 Cb 0.54 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 31.59 2a3b h PRO 145 CO -0.52 1.00 0.54 0.00 -0.23 0.00 0.00 178.00 178.79 2a3b h ALA 146 N 0.85 1.50 -0.06 -0.56 0.00 -0.99 -2.43 119.26 117.56 2a3b h ALA 146 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2a3b h ALA 146 Cb 0.71 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2a3b h ALA 146 CO 0.05 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.73 2a3b n ALA 147 N -2.41 2.52 0.29 0.00 0.00 -0.23 -3.35 120.51 117.33 2a3b n ALA 147 Ca 0.10 -0.58 0.17 0.00 0.00 0.00 0.00 53.44 53.14 2a3b n ALA 147 Cb 0.10 -1.01 0.67 0.00 0.00 0.00 0.00 19.45 19.22 2a3b n ALA 147 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2a3b h SER 148 N 3.34 0.00 -3.50 0.00 4.64 -0.88 -3.44 113.55 113.71 2a3b h SER 148 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 2a3b h SER 148 Cb 0.71 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.62 2a3b h SER 148 CO 0.00 0.00 -0.79 0.42 -0.87 0.00 0.00 176.83 175.59 2a3b s THR 149 N -3.64 1.92 0.28 2.95 -4.23 -1.26 -5.03 115.64 106.63 2a3b s THR 149 Ca 0.01 -1.92 -0.02 0.00 -1.18 0.00 0.00 61.69 58.59 2a3b s THR 149 Cb 0.09 -1.88 0.17 0.00 1.34 0.00 0.00 72.50 72.21 2a3b s THR 149 CO 0.52 -0.27 1.84 -0.78 -0.54 0.00 0.00 174.62 175.40 2a3b h ASP 150 N 3.28 0.80 -0.47 3.99 3.58 -1.93 -0.79 116.42 124.88 2a3b h ASP 150 Ca -0.43 -0.13 -0.08 0.00 0.42 0.00 0.00 57.03 56.81 2a3b h ASP 150 Cb 1.21 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 42.03 2a3b h ASP 150 CO 0.50 0.76 -0.03 0.00 -2.88 0.00 0.00 179.24 177.58 2a3b h ALA 151 N 1.35 0.63 0.02 -0.78 0.00 -1.95 -1.33 119.26 117.20 2a3b h ALA 151 Ca 0.19 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2a3b h ALA 151 Cb 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2a3b h ALA 151 CO -0.01 0.46 -0.01 0.78 0.00 0.00 0.00 179.25 180.48 2a3b h GLY 152 N 0.70 -0.03 1.01 0.00 0.00 -1.61 -1.61 103.07 101.53 2a3b h GLY 152 Ca 0.13 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.48 2a3b h GLY 152 CO 0.03 -0.01 0.56 3.21 0.00 0.00 0.00 176.54 180.33 2a3b h ARG 153 N -0.08 1.11 -0.27 4.80 3.08 -1.09 -0.87 114.38 121.07 2a3b h ARG 153 Ca -0.00 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 2a3b h ARG 153 Cb 0.07 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 2a3b h ARG 153 CO 0.00 0.74 -0.31 0.87 -1.07 0.00 0.00 179.97 180.20 2a3b h LYS 154 N 1.15 0.55 -0.08 0.04 1.57 -1.12 -2.00 116.57 116.67 2a3b h LYS 154 Ca 0.31 -0.24 -0.15 0.00 -1.87 0.00 0.00 60.65 58.70 2a3b h LYS 154 Cb -0.13 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2a3b h LYS 154 CO -0.07 0.80 -0.61 -0.97 -0.57 0.00 0.00 179.45 178.03 2a3b h ASN 155 N 0.47 0.32 -0.07 0.86 -0.00 -0.93 -0.41 115.58 115.82 2a3b h ASN 155 Ca 0.06 -0.19 -0.00 0.00 -0.00 0.00 0.00 56.30 56.17 2a3b h ASN 155 Cb 0.78 -0.09 -0.00 0.00 -0.00 0.00 0.00 38.32 39.00 2a3b h ASN 155 CO 0.06 0.86 0.04 0.15 -0.00 0.00 0.00 177.43 178.54 2a3b h PHE 156 N 0.21 0.10 -0.54 0.67 3.04 -0.95 0.13 116.94 119.60 2a3b h PHE 156 Ca -0.01 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 2a3b h PHE 156 Cb 1.13 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.58 2a3b h PHE 156 CO 0.03 0.16 0.26 0.00 -2.02 0.00 0.00 178.31 176.74 2a3b h ALA 157 N 0.93 0.70 -0.09 2.41 0.00 -1.21 -0.59 119.26 121.42 2a3b h ALA 157 Ca 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2a3b h ALA 157 Cb 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2a3b h ALA 157 CO -0.00 0.26 0.03 -0.22 0.00 0.00 0.00 179.25 179.32 2a3b h LYS 158 N 0.73 0.13 -0.55 0.00 3.64 -0.80 -1.55 116.57 118.17 2a3b h LYS 158 Ca 0.19 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 2a3b h LYS 158 Cb 0.12 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2a3b h LYS 158 CO -0.02 0.26 -0.04 1.79 -2.27 0.00 0.00 179.45 179.16 2a3b h THR 159 N -0.02 1.26 -0.58 1.00 1.35 -0.66 -1.77 112.91 113.49 2a3b h THR 159 Ca 0.03 -1.17 -0.10 0.00 -0.55 0.00 0.00 66.41 64.62 2a3b h THR 159 Cb 0.18 0.88 -0.02 0.00 -1.73 0.00 0.00 68.15 67.45 2a3b h THR 159 CO -0.00 0.42 -0.03 0.00 -0.25 0.00 0.00 175.52 175.66 2a3b h ALA 160 N 1.05 0.78 -0.02 6.62 0.00 -1.05 -1.97 119.26 124.67 2a3b h ALA 160 Ca 0.15 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2a3b h ALA 160 Cb 0.58 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2a3b h ALA 160 CO 0.03 0.64 -0.44 0.28 0.00 0.00 0.00 179.25 179.76 2a3b h VAL 161 N 0.92 1.32 -0.71 0.00 2.07 -1.15 -1.45 116.25 117.25 2a3b h VAL 161 Ca 0.16 -1.52 -0.06 0.00 0.82 0.00 0.00 66.70 66.10 2a3b h VAL 161 Cb 0.59 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 2a3b h VAL 161 CO 0.03 0.44 0.22 0.50 0.02 0.00 0.00 177.57 178.79 2a3b h LYS 162 N 0.03 1.10 -0.68 1.57 1.63 -0.96 -0.25 116.57 119.00 2a3b h LYS 162 Ca -0.00 -0.23 -0.07 0.00 -0.85 0.00 0.00 60.65 59.50 2a3b h LYS 162 Cb 0.79 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 32.23 2a3b h LYS 162 CO 0.06 0.94 0.16 -0.07 -3.45 0.00 0.00 179.45 177.09 2a3b h LEU 163 N 1.04 1.04 -0.66 5.20 3.38 -0.74 -2.19 115.31 122.39 2a3b h LEU 163 Ca 0.23 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2a3b h LEU 163 Cb 0.30 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2a3b h LEU 163 CO -0.01 1.01 0.30 0.25 0.09 0.00 0.00 178.44 180.08 2a3b h LEU 164 N 1.03 0.88 -1.13 1.67 6.46 -0.80 0.95 115.31 124.37 2a3b h LEU 164 Ca 0.21 -0.14 -0.09 0.00 -0.12 0.00 0.00 57.88 57.74 2a3b h LEU 164 Cb 0.38 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 2a3b h LEU 164 CO 0.00 0.78 -0.41 0.06 -0.62 0.00 0.00 178.44 178.25 2a3b h GLN 165 N 0.92 0.00 0.11 1.25 3.07 -0.79 -2.39 115.11 117.28 2a3b h GLN 165 Ca 0.22 0.00 -0.30 0.00 0.09 0.00 0.00 58.65 58.67 2a3b h GLN 165 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.70 2a3b h GLN 165 CO -0.03 0.41 -1.55 -0.44 0.09 0.00 0.00 178.83 177.32 2a3b h ASP 166 N 0.00 0.37 0.13 0.06 3.32 -1.19 -3.30 116.42 115.82 2a3b h ASP 166 Ca -0.00 -0.85 0.00 0.00 0.02 0.00 0.00 57.03 56.20 2a3b h ASP 166 Cb 0.79 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.22 2a3b h ASP 166 CO 0.05 1.67 -0.18 0.18 -1.72 0.00 0.00 179.24 179.24 2a3b n LEU 167 N -3.85 1.34 -0.18 1.55 4.77 0.31 -4.65 117.00 116.29 2a3b n LEU 167 Ca -0.27 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 2a3b n LEU 167 Cb 0.92 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 2a3b n LEU 167 CO 0.40 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 2a3b n GLY 168 N 1.30 0.65 3.88 -0.72 0.00 -0.91 -4.89 105.19 104.49 2a3b n GLY 168 Ca 0.14 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 2a3b n GLY 168 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a3b s PHE 169 N -2.36 3.48 -2.58 1.61 0.08 -1.15 -4.89 117.98 112.16 2a3b s PHE 169 Ca 0.00 1.01 0.25 0.00 0.12 0.00 0.00 56.93 58.30 2a3b s PHE 169 Cb 0.00 -2.41 0.41 0.00 -0.57 0.00 0.00 43.02 40.45 2a3b s PHE 169 CO 0.00 -0.11 1.37 -0.25 -0.10 0.00 0.00 175.22 176.14 2a3b n ASP 170 N -1.35 2.27 0.00 1.36 8.00 0.15 -4.89 116.55 122.08 2a3b n ASP 170 Ca 0.02 -1.68 0.00 0.00 0.71 0.00 0.00 54.79 53.84 2a3b n ASP 170 Cb 0.54 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 2a3b n ASP 170 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a3b n GLY 171 N 1.32 -1.58 3.08 0.44 0.00 -1.25 -1.22 105.19 105.99 2a3b n GLY 171 Ca 0.14 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 2a3b n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a3b s LEU 172 N 0.00 2.04 -0.14 0.99 1.43 -0.09 -1.94 118.68 120.97 2a3b s LEU 172 Ca 0.00 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 2a3b s LEU 172 Cb 0.00 -0.63 0.01 0.00 0.03 0.00 0.00 46.19 45.60 2a3b s LEU 172 CO 0.00 0.14 -0.22 -0.62 0.23 0.00 0.00 176.35 175.88 2a3b s ASP 173 N -0.37 3.14 -0.26 2.29 2.15 0.55 -1.28 116.67 122.89 2a3b s ASP 173 Ca 0.04 -0.60 -0.07 0.00 0.43 0.00 0.00 52.55 52.35 2a3b s ASP 173 Cb -0.05 -1.45 -0.02 0.00 -0.30 0.00 0.00 42.92 41.10 2a3b s ASP 173 CO -0.00 0.08 0.07 -0.63 -0.17 0.00 0.00 175.17 174.52 2a3b s ILE 174 N 0.82 4.20 -0.60 4.11 1.09 0.32 -0.07 121.20 131.07 2a3b s ILE 174 Ca -0.07 -0.32 -0.04 0.00 -1.10 0.00 0.00 60.65 59.13 2a3b s ILE 174 Cb -0.15 -3.01 0.16 0.00 -1.06 0.00 0.00 42.46 38.39 2a3b s ILE 174 CO -0.02 0.27 0.42 -1.81 -0.10 0.00 0.00 174.94 173.70 2a3b s ASP 175 N 1.58 5.35 -0.37 3.58 -0.00 0.85 -2.68 116.67 124.98 2a3b s ASP 175 Ca 0.05 -2.68 -0.08 0.00 -0.00 0.00 0.00 52.55 49.85 2a3b s ASP 175 Cb -0.16 -1.88 0.05 0.00 -0.00 0.00 0.00 42.92 40.94 2a3b s ASP 175 CO 0.03 -0.42 0.16 0.86 -0.00 0.00 0.00 175.17 175.80 2a3b s TRP 176 N 0.19 3.29 -0.56 4.23 -0.11 -1.26 -1.13 118.94 123.59 2a3b s TRP 176 Ca 0.15 -1.43 -0.02 0.00 1.22 0.00 0.00 56.10 56.02 2a3b s TRP 176 Cb -0.20 -2.51 0.15 0.00 -1.50 0.00 0.00 33.47 29.40 2a3b s TRP 176 CO -0.04 -0.76 0.36 -1.21 -4.62 0.00 0.00 176.95 170.69 2a3b s GLU 177 N 1.42 2.37 0.12 5.86 8.01 -1.26 -4.27 118.70 130.94 2a3b s GLU 177 Ca 0.00 -2.34 -0.16 0.00 0.01 0.00 0.00 54.97 52.48 2a3b s GLU 177 Cb -0.20 -3.67 0.03 0.00 -4.31 0.00 0.00 34.13 25.98 2a3b s GLU 177 CO 0.03 -1.14 0.39 0.71 0.01 0.00 0.00 175.26 175.25 2a3b s TYR 178 N 0.25 -0.18 0.23 1.61 1.51 -1.26 -4.81 117.35 114.69 2a3b s TYR 178 Ca 0.15 -0.13 -0.32 0.00 -1.01 0.00 0.00 57.07 55.76 2a3b s TYR 178 Cb -0.21 0.24 -0.12 0.00 -0.11 0.00 0.00 41.96 41.75 2a3b s TYR 178 CO -0.03 -0.68 1.70 -2.30 -1.11 0.00 0.00 175.55 173.12 2a3b n PRO 179 N -0.18 2.76 0.02 -1.71 -0.02 -1.26 -4.88 135.00 129.74 2a3b n PRO 179 Ca -0.16 0.99 0.11 0.00 -2.02 0.00 0.00 63.50 62.42 2a3b n PRO 179 Cb 0.63 -2.83 -0.03 0.00 -0.02 0.00 0.00 33.50 31.26 2a3b n PRO 179 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2a3b n GLU 180 N 3.59 0.33 -3.97 -0.52 1.02 -1.26 -4.89 120.64 114.94 2a3b n GLU 180 Ca 0.14 -0.03 -0.12 0.00 -0.02 0.00 0.00 57.16 57.14 2a3b n GLU 180 Cb 0.35 -1.58 -0.02 0.00 -0.02 0.00 0.00 31.44 30.17 2a3b n GLU 180 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2a3b s ASN 181 N -3.99 0.43 0.24 1.62 2.20 -1.26 -5.04 114.94 109.15 2a3b s ASN 181 Ca 0.02 -1.26 -0.05 0.00 -0.94 0.00 0.00 52.86 50.62 2a3b s ASN 181 Cb 0.14 0.72 0.32 0.00 -2.00 0.00 0.00 41.25 40.44 2a3b s ASN 181 CO 0.83 -1.41 1.86 -0.78 -2.94 0.00 0.00 177.10 174.65 2a3b h ASP 182 N 2.09 0.89 -0.16 3.54 3.58 -1.95 -0.04 116.42 124.35 2a3b h ASP 182 Ca -0.29 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.17 2a3b h ASP 182 Cb 1.25 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.11 2a3b h ASP 182 CO 0.38 0.58 0.10 -0.61 -2.88 0.00 0.00 179.24 176.81 2a3b h GLN 183 N 1.03 0.20 -0.74 0.28 5.75 -1.96 0.35 115.11 120.01 2a3b h GLN 183 Ca 0.37 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.82 2a3b h GLN 183 Cb 0.12 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.59 2a3b h GLN 183 CO -0.16 0.13 0.31 1.96 -2.65 0.00 0.00 178.83 178.42 2a3b h GLN 184 N 0.21 1.09 -0.59 1.69 4.20 -1.85 0.90 115.11 120.76 2a3b h GLN 184 Ca 0.06 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 2a3b h GLN 184 Cb -0.01 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 2a3b h GLN 184 CO -0.02 0.88 0.30 0.00 -0.67 0.00 0.00 178.83 179.31 2a3b h ALA 185 N 1.26 0.77 -0.41 3.87 0.00 -0.51 0.79 119.26 125.02 2a3b h ALA 185 Ca 0.25 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2a3b h ALA 185 Cb 0.19 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2a3b h ALA 185 CO -0.02 0.31 0.02 -0.91 0.00 0.00 0.00 179.25 178.65 2a3b h ASN 186 N 0.81 0.69 -0.30 0.00 2.35 -0.50 -2.62 115.58 116.01 2a3b h ASN 186 Ca 0.21 -0.29 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 2a3b h ASN 186 Cb 0.09 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 2a3b h ASN 186 CO -0.03 0.81 0.14 0.44 -1.65 0.00 0.00 177.43 177.14 2a3b h ASP 187 N 0.55 0.44 -0.44 5.81 3.32 -0.38 -1.29 116.42 124.44 2a3b h ASP 187 Ca 0.12 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 2a3b h ASP 187 Cb 0.44 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 2a3b h ASP 187 CO 0.02 0.41 0.08 0.15 -1.72 0.00 0.00 179.24 178.18 2a3b h PHE 188 N 0.49 0.77 -0.30 4.55 3.57 -0.61 0.17 116.94 125.58 2a3b h PHE 188 Ca 0.12 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2a3b h PHE 188 Cb 0.11 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 2a3b h PHE 188 CO 0.00 0.73 0.16 0.28 -2.23 0.00 0.00 178.31 177.25 2a3b h VAL 189 N 0.59 1.14 -0.87 1.41 2.07 -1.04 -0.15 116.25 119.41 2a3b h VAL 189 Ca 0.14 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2a3b h VAL 189 Cb 0.36 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 2a3b h VAL 189 CO 0.01 0.14 0.55 -0.07 0.02 0.00 0.00 177.57 178.22 2a3b h LEU 190 N 0.37 1.02 -0.31 2.57 3.38 -0.97 -0.56 115.31 120.80 2a3b h LEU 190 Ca 0.11 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2a3b h LEU 190 Cb 0.08 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2a3b h LEU 190 CO -0.02 0.76 0.14 0.25 0.09 0.00 0.00 178.44 179.66 2a3b h LEU 191 N 1.19 0.41 -0.67 1.67 5.85 -0.23 -1.75 115.31 121.77 2a3b h LEU 191 Ca 0.32 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2a3b h LEU 191 Cb -0.10 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 2a3b h LEU 191 CO -0.06 0.44 0.39 -0.07 -0.34 0.00 0.00 178.44 178.79 2a3b h LEU 192 N 0.36 0.82 -0.65 2.25 3.38 -0.35 -0.78 115.31 120.34 2a3b h LEU 192 Ca 0.11 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2a3b h LEU 192 Cb 0.14 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 2a3b h LEU 192 CO -0.01 0.66 0.42 0.50 0.09 0.00 0.00 178.44 180.10 2a3b h LYS 193 N 0.92 0.83 -0.55 1.13 3.64 -0.93 0.10 116.57 121.71 2a3b h LYS 193 Ca 0.24 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 2a3b h LYS 193 Cb 0.00 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 2a3b h LYS 193 CO -0.04 0.55 0.32 1.49 -2.27 0.00 0.00 179.45 179.49 2a3b h GLU 194 N 0.85 0.75 -0.46 1.90 4.57 -0.84 -0.55 114.58 120.81 2a3b h GLU 194 Ca 0.25 -0.08 -0.13 0.00 -1.18 0.00 0.00 59.36 58.22 2a3b h GLU 194 Cb -0.06 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.36 2a3b h GLU 194 CO -0.07 0.56 -0.22 0.28 -1.18 0.00 0.00 179.01 178.38 2a3b h VAL 195 N 0.74 1.27 -0.54 0.32 2.07 -0.63 -1.98 116.25 117.50 2a3b h VAL 195 Ca 0.20 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 2a3b h VAL 195 Cb 0.01 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2a3b h VAL 195 CO -0.03 0.47 0.31 -0.09 0.02 0.00 0.00 177.57 178.25 2a3b h ARG 196 N 0.81 0.74 -0.46 1.57 9.65 -0.45 -0.12 114.38 126.11 2a3b h ARG 196 Ca 0.10 -0.08 -0.02 0.00 -1.10 0.00 0.00 59.98 58.88 2a3b h ARG 196 Cb 0.79 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 29.20 2a3b h ARG 196 CO 0.07 0.56 0.19 1.15 2.80 0.00 0.00 179.97 184.73 2a3b h THR 197 N 0.72 1.20 -0.72 0.20 2.02 -1.01 -1.77 112.91 113.55 2a3b h THR 197 Ca 0.19 -0.62 -0.06 0.00 0.77 0.00 0.00 66.41 66.69 2a3b h THR 197 Cb 0.02 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 2a3b h THR 197 CO -0.03 0.23 0.21 0.00 0.37 0.00 0.00 175.52 176.29 2a3b h ALA 198 N 1.04 1.01 -0.61 6.16 0.00 -1.04 -1.07 119.26 124.74 2a3b h ALA 198 Ca 0.15 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2a3b h ALA 198 Cb 0.18 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2a3b h ALA 198 CO -0.01 0.66 0.17 -0.07 0.00 0.00 0.00 179.25 179.99 2a3b h LEU 199 N 1.07 0.92 -0.35 0.00 3.38 -0.76 -1.43 115.31 118.15 2a3b h LEU 199 Ca 0.23 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2a3b h LEU 199 Cb 0.33 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2a3b h LEU 199 CO -0.00 0.90 -0.06 0.44 0.09 0.00 0.00 178.44 179.81 2a3b h ASP 200 N 0.89 0.65 -0.02 -0.43 3.32 -1.08 -1.36 116.42 118.39 2a3b h ASP 200 Ca 0.19 -0.35 0.01 0.00 0.02 0.00 0.00 57.03 56.91 2a3b h ASP 200 Cb 0.33 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2a3b h ASP 200 CO -0.00 0.85 -0.03 0.28 -1.72 0.00 0.00 179.24 178.61 2a3b h SER 201 N 0.45 -0.10 -0.79 6.45 0.02 -1.07 -0.61 113.55 117.90 2a3b h SER 201 Ca 0.09 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.11 2a3b h SER 201 Cb 0.54 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.08 2a3b h SER 201 CO 0.03 -0.05 0.49 0.22 -1.14 0.00 0.00 176.83 176.37 2a3b h TYR 202 N -0.05 0.90 -0.48 3.45 3.20 -1.23 -2.48 116.97 120.29 2a3b h TYR 202 Ca 0.02 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 2a3b h TYR 202 Cb 0.08 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 2a3b h TYR 202 CO -0.12 0.48 0.21 1.03 -1.64 0.00 0.00 178.16 178.13 2a3b h SER 203 N 0.92 0.64 -0.88 -2.11 0.87 -0.72 0.65 113.55 112.91 2a3b h SER 203 Ca 0.33 -0.15 0.05 0.00 -1.23 0.00 0.00 61.79 60.79 2a3b h SER 203 Cb 0.10 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 61.85 2a3b h SER 203 CO -0.15 0.61 0.58 0.00 -0.53 0.00 0.00 176.83 177.34 2a3b h ALA 204 N 1.05 1.48 0.06 6.23 0.00 -0.82 0.25 119.26 127.51 2a3b h ALA 204 Ca 0.16 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 2a3b h ALA 204 Cb 0.16 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.67 2a3b h ALA 204 CO -0.02 0.42 -0.60 0.00 0.00 0.00 0.00 179.25 179.05 2a3b h ALA 205 N 1.50 -0.01 0.00 0.00 0.00 -1.04 -3.41 119.26 116.31 2a3b h ALA 205 Ca 0.36 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2a3b h ALA 205 Cb 0.09 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2a3b h ALA 205 CO -0.12 0.30 -0.22 0.09 0.00 0.00 0.00 179.25 179.30 2a3b n ASN 206 N -4.25 1.02 -0.10 0.00 3.02 0.18 -4.79 115.26 110.34 2a3b n ASN 206 Ca -0.12 -2.27 0.01 0.00 -0.03 0.00 0.00 54.58 52.17 2a3b n ASN 206 Cb 0.70 -0.24 0.01 0.00 -0.61 0.00 0.00 39.78 39.64 2a3b n ASN 206 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2a3b n ALA 207 N -0.56 1.49 -2.45 5.41 0.00 0.86 -4.67 120.51 120.59 2a3b n ALA 207 Ca 0.06 -0.86 -0.16 0.00 0.00 0.00 0.00 53.44 52.48 2a3b n ALA 207 Cb 0.61 -0.13 -0.01 0.00 0.00 0.00 0.00 19.45 19.93 2a3b n ALA 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a3b n GLY 208 N -0.21 -0.50 2.15 0.00 0.00 -0.97 -0.99 105.19 104.67 2a3b n GLY 208 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2a3b n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a3b n GLY 209 N -0.91 0.95 3.50 -0.02 0.00 -0.96 -4.99 105.19 102.75 2a3b n GLY 209 Ca -0.18 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.29 2a3b n GLY 209 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2a3b n GLN 210 N -2.00 0.27 -2.89 1.61 -0.06 -0.16 -4.86 117.38 109.29 2a3b n GLN 210 Ca 0.00 0.10 -0.43 0.00 -2.00 0.00 0.00 57.00 54.67 2a3b n GLN 210 Cb 0.00 -1.49 -0.04 0.00 -4.06 0.00 0.00 30.24 24.65 2a3b n GLN 210 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 2a3b s HIS 211 N -0.23 2.83 0.40 3.69 5.65 -1.26 -4.82 115.29 121.54 2a3b s HIS 211 Ca 0.81 -0.12 -0.21 0.00 0.25 0.00 0.00 55.06 55.80 2a3b s HIS 211 Cb -1.10 -4.00 -0.11 0.00 -1.18 0.00 0.00 32.58 26.20 2a3b s HIS 211 CO 0.55 -1.31 0.91 -0.06 -0.65 0.00 0.00 174.74 174.18 2a3b s PHE 212 N 3.74 3.37 0.31 3.88 0.08 -1.26 -5.04 117.98 123.06 2a3b s PHE 212 Ca 0.28 1.57 -0.10 0.00 0.12 0.00 0.00 56.93 58.80 2a3b s PHE 212 Cb -0.14 -2.81 -0.07 0.00 -0.57 0.00 0.00 43.02 39.44 2a3b s PHE 212 CO 0.18 -0.04 0.64 -0.51 -0.10 0.00 0.00 175.22 175.39 2a3b s LEU 213 N -3.00 4.03 -0.09 -0.37 1.43 -0.36 -4.95 118.68 115.38 2a3b s LEU 213 Ca 0.59 0.99 -0.03 0.00 -1.03 0.00 0.00 54.13 54.66 2a3b s LEU 213 Cb -0.10 -3.81 0.04 0.00 0.03 0.00 0.00 46.19 42.35 2a3b s LEU 213 CO 0.15 -0.21 0.06 -0.22 0.23 0.00 0.00 176.35 176.35 2a3b s LEU 214 N -3.30 0.33 0.28 1.79 2.96 -1.25 -0.92 118.68 118.57 2a3b s LEU 214 Ca 0.49 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 54.24 2a3b s LEU 214 Cb -0.11 -0.24 -0.05 0.00 0.50 0.00 0.00 46.19 46.29 2a3b s LEU 214 CO 0.25 -0.27 0.10 0.42 -1.32 0.00 0.00 176.35 175.53 2a3b s THR 215 N 2.11 0.64 0.04 3.68 -4.23 -0.40 -1.16 115.64 116.31 2a3b s THR 215 Ca 0.04 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.53 2a3b s THR 215 Cb -0.13 -2.65 -0.03 0.00 1.34 0.00 0.00 72.50 71.04 2a3b s THR 215 CO -0.05 0.00 -0.00 0.68 -0.54 0.00 0.00 174.62 174.71 2a3b s VAL 216 N -3.66 0.16 0.11 2.29 -7.23 -1.21 -0.52 120.40 110.34 2a3b s VAL 216 Ca 0.37 -1.29 -0.24 0.00 -1.81 0.00 0.00 61.98 59.02 2a3b s VAL 216 Cb 0.08 -0.87 -0.07 0.00 0.56 0.00 0.00 36.38 36.08 2a3b s VAL 216 CO 0.14 -0.71 0.72 0.00 -0.31 0.00 0.00 175.10 174.94 2a3b s ALA 217 N -2.63 3.47 0.00 1.32 0.00 -1.09 -0.38 121.76 122.44 2a3b s ALA 217 Ca -0.05 0.25 0.08 0.00 0.00 0.00 0.00 51.96 52.24 2a3b s ALA 217 Cb -0.01 -2.88 -0.02 0.00 0.00 0.00 0.00 23.12 20.20 2a3b s ALA 217 CO -0.05 0.26 -0.25 -1.12 0.00 0.00 0.00 175.76 174.60 2a3b s SER 218 N -0.83 2.92 0.50 0.00 0.01 0.13 -4.67 113.70 111.75 2a3b s SER 218 Ca 0.35 -0.49 -0.20 0.00 1.31 0.00 0.00 55.95 56.92 2a3b s SER 218 Cb -0.21 -0.30 -0.08 0.00 0.21 0.00 0.00 66.02 65.63 2a3b s SER 218 CO 0.23 0.28 1.04 -2.16 0.41 0.00 0.00 173.24 173.05 2a3b s PRO 219 N -0.79 3.75 -0.01 12.44 0.04 -1.26 -0.80 135.00 148.37 2a3b s PRO 219 Ca 0.10 1.36 0.19 0.00 0.04 0.00 0.00 61.00 62.69 2a3b s PRO 219 Cb -0.10 -2.09 -0.23 0.00 0.04 0.00 0.00 34.50 32.13 2a3b s PRO 219 CO 0.00 -0.47 0.71 0.00 0.04 0.00 0.00 177.00 177.28 2a3b n ALA 220 N -1.05 4.06 -2.46 8.56 0.00 -1.26 -4.75 120.51 123.61 2a3b n ALA 220 Ca 0.09 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.59 2a3b n ALA 220 Cb 0.52 -0.68 -0.03 0.00 0.00 0.00 0.00 19.45 19.27 2a3b n ALA 220 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2a3b s GLY 221 N -3.12 2.05 0.23 0.00 0.00 -1.26 -4.53 107.32 100.69 2a3b s GLY 221 Ca 0.04 0.60 -0.07 0.00 0.00 0.00 0.00 44.72 45.29 2a3b s GLY 221 CO 0.78 2.24 1.70 -2.55 0.00 0.00 0.00 173.10 175.27 2a3b h PRO 222 N 7.54 0.27 -0.94 2.90 0.11 -1.96 -0.61 132.00 139.31 2a3b h PRO 222 Ca -0.33 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.82 2a3b h PRO 222 Cb 1.15 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.14 2a3b h PRO 222 CO 0.89 0.18 0.62 0.38 -0.21 0.00 0.00 178.00 179.85 2a3b h ASP 223 N 0.28 0.98 -0.14 -2.05 3.04 -2.00 -1.18 116.42 115.35 2a3b h ASP 223 Ca 0.38 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 54.06 2a3b h ASP 223 Cb 0.61 -0.21 0.00 0.00 -1.04 0.00 0.00 39.33 38.69 2a3b h ASP 223 CO -0.47 0.64 -0.32 0.11 -2.04 0.00 0.00 179.24 177.17 2a3b h LYS 224 N 1.12 0.46 -0.75 4.15 6.56 -1.64 -3.24 116.57 123.24 2a3b h LYS 224 Ca 0.40 -0.31 0.06 0.00 -1.06 0.00 0.00 60.65 59.73 2a3b h LYS 224 Cb 0.13 0.04 -0.06 0.00 -0.57 0.00 0.00 32.23 31.78 2a3b h LYS 224 CO -0.14 0.92 0.45 0.82 -2.06 0.00 0.00 179.45 179.44 2a3b h ILE 225 N 0.07 1.02 -0.44 1.86 2.04 -0.80 -2.38 117.51 118.88 2a3b h ILE 225 Ca -0.00 -0.28 0.12 0.00 1.00 0.00 0.00 64.86 65.70 2a3b h ILE 225 Cb 0.93 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 2a3b h ILE 225 CO 0.07 0.15 0.31 0.11 0.00 0.00 0.00 178.15 178.80 2a3b h LYS 226 N 0.83 0.03 -0.06 2.37 1.79 -1.25 -2.12 116.57 118.16 2a3b h LYS 226 Ca 0.33 -0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.61 2a3b h LYS 226 Cb 0.15 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.79 2a3b h LYS 226 CO -0.17 0.02 -0.76 0.28 -1.08 0.00 0.00 179.45 177.74 2a3b h VAL 227 N 0.03 1.39 -4.16 0.50 2.07 -1.48 -3.46 116.25 111.14 2a3b h VAL 227 Ca 0.21 -2.21 -0.52 0.00 0.82 0.00 0.00 66.70 65.00 2a3b h VAL 227 Cb 0.79 2.17 0.13 0.00 -1.52 0.00 0.00 31.29 32.86 2a3b h VAL 227 CO -0.01 0.66 0.41 -0.76 0.02 0.00 0.00 177.57 177.89 2a3b s LEU 228 N -7.89 3.45 -0.95 2.57 1.43 -0.80 -4.75 118.68 111.74 2a3b s LEU 228 Ca -0.05 2.25 -0.08 0.00 -1.03 0.00 0.00 54.13 55.22 2a3b s LEU 228 Cb 0.10 -4.58 0.24 0.00 0.03 0.00 0.00 46.19 41.98 2a3b s LEU 228 CO 0.84 -1.86 0.88 -1.00 0.23 0.00 0.00 176.35 175.45 2a3b s HIS 229 N -1.98 3.98 0.15 0.29 3.76 -1.26 -4.95 115.29 115.28 2a3b s HIS 229 Ca 0.73 -2.64 -0.21 0.00 -0.15 0.00 0.00 55.06 52.79 2a3b s HIS 229 Cb -0.27 -3.61 0.04 0.00 1.11 0.00 0.00 32.58 29.85 2a3b s HIS 229 CO 0.40 -0.89 1.64 -0.07 -0.85 0.00 0.00 174.74 174.97 2a3b h LEU 230 N 6.77 -0.64 -0.30 0.89 3.38 -1.90 -0.53 115.31 122.96 2a3b h LEU 230 Ca 0.14 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2a3b h LEU 230 Cb 0.90 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2a3b h LEU 230 CO 0.88 -0.24 0.11 0.11 0.09 0.00 0.00 178.44 179.39 2a3b h LYS 231 N -0.19 0.46 -0.85 1.13 1.57 -1.93 0.92 116.57 117.68 2a3b h LYS 231 Ca 0.14 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2a3b h LYS 231 Cb 0.41 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 2a3b h LYS 231 CO -0.37 0.49 0.46 -0.44 -0.57 0.00 0.00 179.45 179.02 2a3b h ASP 232 N 0.33 1.07 -0.20 0.86 3.32 -1.92 -2.52 116.42 117.36 2a3b h ASP 232 Ca 0.10 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2a3b h ASP 232 Cb 0.22 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2a3b h ASP 232 CO -0.01 0.87 -0.00 0.24 -1.72 0.00 0.00 179.24 178.62 2a3b h MET 233 N 1.19 0.35 -0.40 3.56 2.86 -0.81 -3.17 114.93 118.52 2a3b h MET 233 Ca 0.30 -0.11 0.08 0.00 -2.06 0.00 0.00 59.70 57.91 2a3b h MET 233 Cb 0.04 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 2a3b h MET 233 CO -0.05 0.55 0.28 0.22 1.06 0.00 0.00 176.91 178.98 2a3b h ASP 234 N 0.11 0.15 0.30 1.22 3.58 -0.46 -0.36 116.42 120.95 2a3b h ASP 234 Ca 0.06 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 2a3b h ASP 234 Cb 0.40 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.41 2a3b h ASP 234 CO 0.01 0.09 -0.03 -0.61 -2.88 0.00 0.00 179.24 175.82 2a3b h GLN 235 N 0.17 0.00 -0.02 0.28 5.75 -1.43 -2.19 115.11 117.68 2a3b h GLN 235 Ca 0.19 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.69 2a3b h GLN 235 Cb 0.52 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.07 2a3b h GLN 235 CO -0.03 0.03 -0.29 1.04 -2.65 0.00 0.00 178.83 176.93 2a3b n GLN 236 N -3.32 1.56 -4.16 1.69 1.13 -0.16 -5.02 117.38 109.11 2a3b n GLN 236 Ca -0.02 -1.10 -0.30 0.00 -1.94 0.00 0.00 57.00 53.64 2a3b n GLN 236 Cb 0.16 -1.37 -0.09 0.00 0.11 0.00 0.00 30.24 29.06 2a3b n GLN 236 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2a3b s LEU 237 N -2.09 3.34 -0.03 1.08 1.43 -0.83 -4.79 118.68 116.79 2a3b s LEU 237 Ca 0.18 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.01 2a3b s LEU 237 Cb 0.16 -2.09 -0.27 0.00 0.03 0.00 0.00 46.19 44.02 2a3b s LEU 237 CO 0.42 0.17 0.72 0.44 0.23 0.00 0.00 176.35 178.33 2a3b h ASP 238 N 3.47 0.37 -4.96 2.29 3.32 -1.44 -3.48 116.42 115.99 2a3b h ASP 238 Ca -0.48 -0.60 0.22 0.00 0.02 0.00 0.00 57.03 56.19 2a3b h ASP 238 Cb 1.17 -0.12 -0.14 0.00 0.22 0.00 0.00 39.33 40.46 2a3b h ASP 238 CO 0.57 1.51 0.66 0.72 -1.72 0.00 0.00 179.24 180.99 2a3b s PHE 239 N -2.60 -0.16 -0.10 4.55 -0.12 -1.26 -4.88 117.98 113.41 2a3b s PHE 239 Ca -0.12 0.02 0.03 0.00 -0.05 0.00 0.00 56.93 56.81 2a3b s PHE 239 Cb 0.07 0.56 -0.01 0.00 -0.63 0.00 0.00 43.02 43.00 2a3b s PHE 239 CO 0.83 -0.45 -0.19 -1.58 -0.05 0.00 0.00 175.22 173.79 2a3b s TRP 240 N -2.79 2.65 -0.47 3.49 0.52 0.95 -3.29 118.94 120.00 2a3b s TRP 240 Ca 0.10 -0.76 -0.14 0.00 0.02 0.00 0.00 56.10 55.32 2a3b s TRP 240 Cb 0.00 -1.74 0.08 0.00 -1.15 0.00 0.00 33.47 30.67 2a3b s TRP 240 CO -0.04 -0.25 0.38 -0.80 0.02 0.00 0.00 176.95 176.26 2a3b s ASN 241 N 0.16 6.07 -0.17 2.95 0.01 0.49 -0.90 114.94 123.56 2a3b s ASN 241 Ca -0.11 -1.40 -0.29 0.00 -0.71 0.00 0.00 52.86 50.36 2a3b s ASN 241 Cb -0.16 -2.15 -0.02 0.00 0.41 0.00 0.00 41.25 39.33 2a3b s ASN 241 CO 0.06 -0.65 1.34 -0.22 -1.51 0.00 0.00 177.10 176.13 2a3b s LEU 242 N 1.60 4.15 -1.29 0.60 2.96 -0.46 0.19 118.68 126.43 2a3b s LEU 242 Ca 0.04 1.71 -0.15 0.00 -0.22 0.00 0.00 54.13 55.51 2a3b s LEU 242 Cb -0.25 -3.54 0.11 0.00 0.50 0.00 0.00 46.19 43.02 2a3b s LEU 242 CO 0.06 -0.85 1.74 0.23 -1.32 0.00 0.00 176.35 176.21 2a3b n MET 243 N 6.83 3.26 -1.46 1.98 2.81 0.02 -0.51 117.12 130.05 2a3b n MET 243 Ca 0.15 -3.39 -0.38 0.00 -1.81 0.00 0.00 57.70 52.27 2a3b n MET 243 Cb 0.45 -3.23 -0.03 0.00 -0.71 0.00 0.00 33.22 29.69 2a3b n MET 243 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2a3b n ALA 244 N 6.48 7.34 -3.64 3.04 0.00 -1.25 -4.23 120.51 128.26 2a3b n ALA 244 Ca 0.44 -3.59 -0.03 0.00 0.00 0.00 0.00 53.44 50.27 2a3b n ALA 244 Cb 0.42 -3.17 0.01 0.00 0.00 0.00 0.00 19.45 16.71 2a3b n ALA 244 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2a3b n TYR 245 N 3.05 -1.89 -2.62 0.00 0.18 -1.26 -4.59 117.16 110.03 2a3b n TYR 245 Ca 0.73 -1.49 -0.21 0.00 1.88 0.00 0.00 57.90 58.81 2a3b n TYR 245 Cb 0.27 0.66 0.00 0.00 -0.38 0.00 0.00 39.34 39.89 2a3b n TYR 245 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 2a3b n ASP 246 N -1.47 -5.70 0.25 9.48 8.00 -0.54 -4.88 116.55 121.70 2a3b n ASP 246 Ca -0.05 -0.08 0.13 0.00 0.71 0.00 0.00 54.79 55.50 2a3b n ASP 246 Cb 0.45 -4.71 0.59 0.00 -0.02 0.00 0.00 41.12 37.43 2a3b n ASP 246 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2a3b h TYR 247 N -0.43 0.00 -3.35 1.24 0.05 -1.22 -3.44 116.97 109.81 2a3b h TYR 247 Ca -0.48 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.15 2a3b h TYR 247 Cb 1.35 0.00 -0.22 0.00 1.01 0.00 0.00 36.73 38.87 2a3b h TYR 247 CO 0.57 0.12 -0.45 0.00 -1.05 0.00 0.00 178.16 177.35 2a3b s ALA 248 N -3.72 -0.46 0.00 3.88 0.00 -1.26 -4.70 121.76 115.52 2a3b s ALA 248 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2a3b s ALA 248 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.22 2a3b s ALA 248 CO 0.59 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.57 2a3b n GLY 249 N 1.77 -0.65 0.32 0.00 0.00 -1.26 -4.67 105.19 100.71 2a3b n GLY 249 Ca -0.20 -0.51 0.21 0.00 0.00 0.00 0.00 46.02 45.53 2a3b n GLY 249 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2a3b h SER 250 N 0.00 0.00 0.01 1.61 4.64 -1.94 -0.15 113.55 117.72 2a3b h SER 250 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2a3b h SER 250 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2a3b h SER 250 CO 0.00 0.00 -0.00 2.22 -0.87 0.00 0.00 176.83 178.18 2a3b n PHE 251 N -3.11 0.00 -3.76 4.77 1.16 -1.26 -4.87 117.46 110.39 2a3b n PHE 251 Ca -0.02 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.24 2a3b n PHE 251 Cb 0.12 -0.01 -0.05 0.00 -1.61 0.00 0.00 39.48 37.94 2a3b n PHE 251 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2a3b s SER 252 N -2.01 6.46 0.25 5.98 0.01 -0.07 -5.01 113.70 119.30 2a3b s SER 252 Ca 0.44 0.50 -0.01 0.00 1.31 0.00 0.00 55.95 58.19 2a3b s SER 252 Cb 0.22 -2.06 0.31 0.00 0.21 0.00 0.00 66.02 64.70 2a3b s SER 252 CO 0.36 0.13 1.69 0.28 0.41 0.00 0.00 173.24 176.12 2a3b h SER 253 N 3.16 0.65 -4.09 2.44 0.02 -1.89 -3.46 113.55 110.38 2a3b h SER 253 Ca -0.47 -0.21 -0.35 0.00 -0.84 0.00 0.00 61.79 59.92 2a3b h SER 253 Cb 1.17 -0.18 -0.14 0.00 0.14 0.00 0.00 62.40 63.39 2a3b h SER 253 CO 0.72 0.85 -0.66 -0.76 -1.14 0.00 0.00 176.83 175.84 2a3b s LEU 254 N -8.85 2.15 0.78 5.07 1.43 -1.26 -4.67 118.68 113.32 2a3b s LEU 254 Ca -0.08 -1.20 -0.12 0.00 -1.03 0.00 0.00 54.13 51.69 2a3b s LEU 254 Cb 0.14 -0.20 0.06 0.00 0.03 0.00 0.00 46.19 46.22 2a3b s LEU 254 CO 0.81 -0.53 1.14 -0.94 0.23 0.00 0.00 176.35 177.06 2a3b s SER 255 N -3.26 4.14 0.04 2.29 1.04 -0.09 -4.80 113.70 113.06 2a3b s SER 255 Ca 0.27 2.08 -0.27 0.00 0.48 0.00 0.00 55.95 58.50 2a3b s SER 255 Cb 0.06 -2.55 0.10 0.00 0.10 0.00 0.00 66.02 63.72 2a3b s SER 255 CO 0.07 -2.29 1.21 -0.83 0.98 0.00 0.00 173.24 172.39 2a3b s GLY 256 N -2.73 -0.16 0.06 7.32 0.00 -1.26 -1.22 107.32 109.32 2a3b s GLY 256 Ca 0.67 0.15 -0.25 0.00 0.00 0.00 0.00 44.72 45.28 2a3b s GLY 256 CO 0.51 3.03 0.78 0.30 0.00 0.00 0.00 173.10 177.72 2a3b s HIS 257 N -2.24 3.75 -1.39 1.90 3.76 0.01 -4.76 115.29 116.31 2a3b s HIS 257 Ca 0.22 1.50 0.24 0.00 -0.15 0.00 0.00 55.06 56.88 2a3b s HIS 257 Cb 0.01 -2.83 0.40 0.00 1.11 0.00 0.00 32.58 31.26 2a3b s HIS 257 CO -0.00 0.28 1.34 0.00 -0.85 0.00 0.00 174.74 175.51 2a3b n GLN 258 N 2.73 0.45 -0.93 1.40 10.64 -1.26 -3.98 117.38 126.43 2a3b n GLN 258 Ca -0.02 -0.30 -0.01 0.00 -1.83 0.00 0.00 57.00 54.83 2a3b n GLN 258 Cb 0.50 -1.49 -0.02 0.00 -0.86 0.00 0.00 30.24 28.37 2a3b n GLN 258 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2a3b n ALA 259 N -1.01 2.69 -1.76 2.61 0.00 -1.26 -0.81 120.51 120.97 2a3b n ALA 259 Ca 0.08 -1.01 -0.37 0.00 0.00 0.00 0.00 53.44 52.14 2a3b n ALA 259 Cb 0.36 -0.39 0.03 0.00 0.00 0.00 0.00 19.45 19.45 2a3b n ALA 259 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2a3b s ASN 260 N -1.03 5.39 -0.04 0.00 4.22 -1.26 -4.87 114.94 117.35 2a3b s ASN 260 Ca 0.09 2.47 -0.17 0.00 -2.14 0.00 0.00 52.86 53.11 2a3b s ASN 260 Cb 0.10 -2.61 -0.32 0.00 1.28 0.00 0.00 41.25 39.70 2a3b s ASN 260 CO -0.04 -1.46 0.81 0.58 -2.04 0.00 0.00 177.10 174.94 2a3b h VAL 261 N 1.22 1.23 -2.13 3.54 2.07 -1.20 -2.11 116.25 118.86 2a3b h VAL 261 Ca -0.50 -2.55 -0.60 0.00 0.82 0.00 0.00 66.70 63.87 2a3b h VAL 261 Cb 1.29 2.97 -0.13 0.00 -1.52 0.00 0.00 31.29 33.90 2a3b h VAL 261 CO 0.57 0.77 -0.71 -0.31 0.02 0.00 0.00 177.57 177.90 2a3b s TYR 262 N -2.52 2.41 0.34 1.57 2.02 -1.22 -0.93 117.35 119.03 2a3b s TYR 262 Ca -0.14 -0.35 -0.27 0.00 -0.37 0.00 0.00 57.07 55.93 2a3b s TYR 262 Cb 0.03 -1.15 -0.09 0.00 -0.40 0.00 0.00 41.96 40.35 2a3b s TYR 262 CO 0.86 0.65 1.16 1.21 -1.57 0.00 0.00 175.55 177.86 2a3b s ASN 263 N -3.58 6.86 -0.78 2.29 2.47 -1.26 -4.74 114.94 116.20 2a3b s ASN 263 Ca 0.31 2.37 -0.18 0.00 0.42 0.00 0.00 52.86 55.78 2a3b s ASN 263 Cb -0.03 -2.62 0.13 0.00 -1.45 0.00 0.00 41.25 37.27 2a3b s ASN 263 CO 0.17 -0.44 0.91 -0.62 -3.72 0.00 0.00 177.10 173.39 2a3b s ASP 264 N -0.94 6.47 0.36 -4.21 -1.08 -1.26 -4.90 116.67 111.11 2a3b s ASP 264 Ca 0.51 -1.87 0.07 0.00 -0.52 0.00 0.00 52.55 50.74 2a3b s ASP 264 Cb -0.32 -2.33 0.77 0.00 -1.46 0.00 0.00 42.92 39.58 2a3b s ASP 264 CO 0.42 -1.02 1.91 0.74 0.52 0.00 0.00 175.17 177.73 2a3b h THR 265 N 5.67 0.93 0.00 1.71 2.02 -1.96 0.15 112.91 121.42 2a3b h THR 265 Ca -0.04 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2a3b h THR 265 Cb 1.05 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2a3b h THR 265 CO 1.04 0.13 0.00 -1.54 0.37 0.00 0.00 175.52 175.53 2a3b n SER 266 N -4.52 0.76 -2.90 4.18 3.41 -1.26 -4.20 113.62 109.10 2a3b n SER 266 Ca 0.14 0.57 -0.13 0.00 -0.26 0.00 0.00 58.87 59.20 2a3b n SER 266 Cb 0.35 -0.78 0.03 0.00 -0.26 0.00 0.00 64.21 63.55 2a3b n SER 266 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2a3b n ASN 267 N -2.22 -1.59 0.28 4.04 5.15 -0.62 -5.00 115.26 115.31 2a3b n ASN 267 Ca 0.06 -3.26 0.16 0.00 -0.60 0.00 0.00 54.58 50.94 2a3b n ASN 267 Cb 0.42 1.01 0.92 0.00 -0.53 0.00 0.00 39.78 41.60 2a3b n ASN 267 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2a3b h PRO 268 N 3.57 0.00 0.00 1.20 0.13 -0.92 -1.90 132.00 134.07 2a3b h PRO 268 Ca -0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 2a3b h PRO 268 Cb 1.01 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 2a3b h PRO 268 CO 0.32 0.00 -0.06 -0.07 -0.23 0.00 0.00 178.00 177.97 2a3b h LEU 269 N 0.00 0.00 0.00 1.56 3.38 -1.89 -1.92 115.31 116.44 2a3b h LEU 269 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2a3b h LEU 269 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2a3b h LEU 269 CO -0.00 0.06 -0.19 -1.54 0.09 0.00 0.00 178.44 176.86 2a3b n SER 270 N -3.27 0.61 -3.53 -0.43 3.41 -0.71 -4.37 113.62 105.32 2a3b n SER 270 Ca -0.01 0.39 -0.27 0.00 -0.26 0.00 0.00 58.87 58.72 2a3b n SER 270 Cb 0.25 -0.42 -0.09 0.00 -0.26 0.00 0.00 64.21 63.68 2a3b n SER 270 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2a3b n THR 271 N -2.02 1.43 0.32 6.66 -2.24 -0.72 -0.81 114.28 116.90 2a3b n THR 271 Ca 0.05 -4.80 0.19 0.00 -2.27 0.00 0.00 64.05 57.22 2a3b n THR 271 Cb 0.41 -2.07 1.06 0.00 -2.10 0.00 0.00 70.33 67.63 2a3b n THR 271 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2a3b h PRO 272 N 4.62 0.00 -4.55 -0.78 0.13 -1.76 -3.43 132.00 126.22 2a3b h PRO 272 Ca 0.17 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.07 2a3b h PRO 272 Cb 0.74 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.72 2a3b h PRO 272 CO 0.71 0.00 -0.62 -0.06 -0.23 0.00 0.00 178.00 177.81 2a3b s PHE 273 N -4.36 1.10 -0.12 1.56 0.40 -1.26 -5.13 117.98 110.17 2a3b s PHE 273 Ca -0.05 -1.35 -0.22 0.00 -0.60 0.00 0.00 56.93 54.71 2a3b s PHE 273 Cb 0.14 -0.54 0.05 0.00 0.51 0.00 0.00 43.02 43.18 2a3b s PHE 273 CO 0.48 -0.62 0.54 0.54 0.70 0.00 0.00 175.22 176.86 2a3b s ASN 274 N -3.14 -0.52 0.25 1.36 2.20 -1.26 -4.80 114.94 109.02 2a3b s ASN 274 Ca 0.36 0.78 -0.04 0.00 -0.94 0.00 0.00 52.86 53.03 2a3b s ASN 274 Cb 0.07 0.78 0.29 0.00 -2.00 0.00 0.00 41.25 40.40 2a3b s ASN 274 CO 0.10 -0.38 1.78 0.74 -2.94 0.00 0.00 177.10 176.40 2a3b h THR 275 N 3.78 1.24 -0.61 0.54 2.02 -0.90 -3.12 112.91 115.85 2a3b h THR 275 Ca -0.28 -0.91 0.08 0.00 0.77 0.00 0.00 66.41 66.07 2a3b h THR 275 Cb 1.16 0.67 -0.06 0.00 -1.74 0.00 0.00 68.15 68.18 2a3b h THR 275 CO 0.28 0.34 0.27 -0.61 0.37 0.00 0.00 175.52 176.17 2a3b h GLN 276 N 0.88 0.48 -0.52 6.66 5.75 -1.33 -0.00 115.11 127.03 2a3b h GLN 276 Ca 0.19 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.69 2a3b h GLN 276 Cb 0.35 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.76 2a3b h GLN 276 CO 0.00 0.32 0.29 1.15 -2.65 0.00 0.00 178.83 177.94 2a3b h THR 277 N 0.49 1.01 -0.32 2.39 2.02 -1.80 -0.01 112.91 116.69 2a3b h THR 277 Ca 0.30 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 2a3b h THR 277 Cb 0.30 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2a3b h THR 277 CO -0.25 0.10 0.14 0.00 0.37 0.00 0.00 175.52 175.88 2a3b h ALA 278 N 1.26 0.41 -0.49 6.16 0.00 -1.32 -2.00 119.26 123.28 2a3b h ALA 278 Ca 0.22 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2a3b h ALA 278 Cb 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2a3b h ALA 278 CO -0.13 -0.00 0.12 -0.07 0.00 0.00 0.00 179.25 179.17 2a3b h LEU 279 N 0.37 0.69 -1.01 0.00 3.38 -0.65 -1.30 115.31 116.79 2a3b h LEU 279 Ca 0.11 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2a3b h LEU 279 Cb 0.16 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2a3b h LEU 279 CO -0.01 0.68 -0.03 0.44 0.09 0.00 0.00 178.44 179.61 2a3b h ASP 280 N 0.72 0.65 -0.41 -0.43 3.32 -0.75 -0.37 116.42 119.16 2a3b h ASP 280 Ca 0.16 -0.15 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 2a3b h ASP 280 Cb 0.26 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2a3b h ASP 280 CO -0.00 0.74 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.90 2a3b h LEU 281 N 0.64 0.99 -0.52 1.55 3.38 -0.62 -0.95 115.31 119.78 2a3b h LEU 281 Ca 0.13 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 2a3b h LEU 281 Cb 0.44 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2a3b h LEU 281 CO 0.02 1.20 0.04 1.88 0.09 0.00 0.00 178.44 181.67 2a3b h TYR 282 N 0.80 0.97 -0.40 1.13 -1.99 -0.94 -1.16 116.97 115.38 2a3b h TYR 282 Ca 0.09 -0.15 -0.14 0.00 2.00 0.00 0.00 58.73 60.53 2a3b h TYR 282 Cb 0.87 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 39.33 2a3b h TYR 282 CO 0.06 0.88 -0.29 0.00 -0.00 0.00 0.00 178.16 178.80 2a3b h ARG 283 N 0.77 0.90 0.00 4.88 3.08 -1.01 -1.45 114.38 121.55 2a3b h ARG 283 Ca 0.15 -0.44 -0.04 0.00 0.07 0.00 0.00 59.98 59.73 2a3b h ARG 283 Cb 0.47 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2a3b h ARG 283 CO 0.02 1.09 -0.19 0.00 -1.07 0.00 0.00 179.97 179.82 2a3b h ALA 284 N 0.79 1.22 -0.00 0.04 0.00 -1.12 -1.85 119.26 118.34 2a3b h ALA 284 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2a3b h ALA 284 Cb 0.88 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2a3b h ALA 284 CO 0.08 0.23 -0.01 0.41 0.00 0.00 0.00 179.25 179.96 2a3b n GLY 285 N -0.43 -0.80 0.00 0.00 0.00 -0.44 -4.91 105.19 98.61 2a3b n GLY 285 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2a3b n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a3b n GLY 286 N 1.10 0.45 3.68 -0.02 0.00 -0.69 -4.14 105.19 105.57 2a3b n GLY 286 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2a3b n GLY 286 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a3b s VAL 287 N -2.00 4.86 0.35 1.61 1.01 -0.58 -4.95 120.40 120.69 2a3b s VAL 287 Ca 0.00 1.79 -0.29 0.00 0.00 0.00 0.00 61.98 63.48 2a3b s VAL 287 Cb 0.00 -4.20 -0.11 0.00 0.00 0.00 0.00 36.38 32.07 2a3b s VAL 287 CO 0.00 0.04 1.50 -2.84 0.00 0.00 0.00 175.10 173.80 2a3b s PRO 288 N 1.96 4.14 0.24 2.72 0.02 -1.26 -4.20 135.00 138.61 2a3b s PRO 288 Ca 0.42 2.54 -0.06 0.00 0.02 0.00 0.00 61.00 63.93 2a3b s PRO 288 Cb -0.17 -3.00 0.33 0.00 0.02 0.00 0.00 34.50 31.68 2a3b s PRO 288 CO 0.15 -0.53 1.85 0.00 -0.33 0.00 0.00 177.00 178.14 2a3b h ALA 289 N 3.58 1.16 0.00 -1.55 0.00 -1.90 -1.96 119.26 118.60 2a3b h ALA 289 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2a3b h ALA 289 Cb 1.23 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2a3b h ALA 289 CO 0.69 0.25 0.00 0.27 0.00 0.00 0.00 179.25 180.46 2a3b n ASN 290 N -4.64 0.00 -0.55 0.00 0.23 -1.06 -1.49 115.26 107.75 2a3b n ASN 290 Ca 0.12 -0.77 0.06 0.00 -0.53 0.00 0.00 54.58 53.46 2a3b n ASN 290 Cb 0.18 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 37.97 2a3b n ASN 290 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2a3b n LYS 291 N -0.73 1.47 -3.87 -3.83 5.02 -0.74 -3.94 118.16 111.55 2a3b n LYS 291 Ca 0.06 -1.54 -0.36 0.00 -2.02 0.00 0.00 58.31 54.45 2a3b n LYS 291 Cb 0.03 -1.25 -0.14 0.00 -0.02 0.00 0.00 35.03 33.65 2a3b n LYS 291 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2a3b s ILE 292 N -1.00 3.42 -0.15 -0.18 1.01 -0.55 -0.03 121.20 123.72 2a3b s ILE 292 Ca 0.18 -0.81 -0.14 0.00 0.00 0.00 0.00 60.65 59.88 2a3b s ILE 292 Cb 0.11 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.81 2a3b s ILE 292 CO 0.16 0.18 0.31 -0.69 0.00 0.00 0.00 174.94 174.89 2a3b s VAL 293 N 1.42 5.29 -0.49 2.92 1.01 -0.08 0.34 120.40 130.80 2a3b s VAL 293 Ca 0.02 0.59 -0.29 0.00 0.00 0.00 0.00 61.98 62.30 2a3b s VAL 293 Cb -0.17 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.60 2a3b s VAL 293 CO -0.01 0.39 1.14 -0.22 0.00 0.00 0.00 175.10 176.40 2a3b s LEU 294 N 0.41 3.63 0.28 3.92 2.96 -0.11 -1.36 118.68 128.40 2a3b s LEU 294 Ca 0.18 0.38 -0.29 0.00 -0.22 0.00 0.00 54.13 54.17 2a3b s LEU 294 Cb -0.13 -3.47 -0.10 0.00 0.50 0.00 0.00 46.19 42.99 2a3b s LEU 294 CO 0.05 -1.28 1.10 -0.83 -1.32 0.00 0.00 176.35 174.07 2a3b s GLY 295 N 2.53 3.06 0.02 7.98 0.00 0.33 -1.21 107.32 120.03 2a3b s GLY 295 Ca 0.47 0.90 0.01 0.00 0.00 0.00 0.00 44.72 46.10 2a3b s GLY 295 CO 0.31 1.52 -0.05 1.06 0.00 0.00 0.00 173.10 175.93 2a3b s MET 296 N -1.41 0.40 0.14 2.90 -1.94 0.17 -3.78 119.30 115.78 2a3b s MET 296 Ca 0.45 -0.41 -0.24 0.00 -1.71 0.00 0.00 55.69 53.77 2a3b s MET 296 Cb -0.32 -0.27 -0.08 0.00 2.01 0.00 0.00 34.83 36.17 2a3b s MET 296 CO 0.41 0.06 0.73 -1.25 -0.01 0.00 0.00 175.02 174.97 2a3b s PRO 297 N -0.76 4.49 -0.48 2.03 0.04 -1.26 -2.79 135.00 136.26 2a3b s PRO 297 Ca -0.04 1.07 0.03 0.00 0.04 0.00 0.00 61.00 62.09 2a3b s PRO 297 Cb -0.05 -3.26 0.48 0.00 0.04 0.00 0.00 34.50 31.70 2a3b s PRO 297 CO -0.00 0.57 1.69 1.28 0.04 0.00 0.00 177.00 180.58 2a3b n LEU 298 N 1.69 6.29 -3.88 -3.56 4.77 -0.39 -4.62 117.00 117.30 2a3b n LEU 298 Ca -0.06 -4.30 -0.08 0.00 -0.03 0.00 0.00 56.01 51.53 2a3b n LEU 298 Cb 0.49 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 2a3b n LEU 298 CO 0.45 1.60 0.35 -0.72 -1.33 0.00 0.00 177.39 177.74 2a3b s TYR 299 N -3.63 -0.01 0.16 -1.77 1.13 -1.26 -1.44 117.35 110.52 2a3b s TYR 299 Ca 0.57 -0.39 0.09 0.00 -1.41 0.00 0.00 57.07 55.92 2a3b s TYR 299 Cb 0.46 0.49 -0.04 0.00 -1.10 0.00 0.00 41.96 41.78 2a3b s TYR 299 CO 0.02 -1.10 -0.19 0.20 -2.51 0.00 0.00 175.55 171.96 2a3b s GLY 300 N -2.94 1.40 -0.15 5.49 0.00 0.95 -4.56 107.32 107.51 2a3b s GLY 300 Ca 0.14 -1.47 -0.02 0.00 0.00 0.00 0.00 44.72 43.38 2a3b s GLY 300 CO 0.06 -1.51 -0.08 0.50 0.00 0.00 0.00 173.10 172.07 2a3b s ARG 301 N -2.64 3.50 0.20 2.90 0.52 -0.57 -0.60 118.95 122.27 2a3b s ARG 301 Ca 0.15 -0.61 0.06 0.00 -0.52 0.00 0.00 55.73 54.80 2a3b s ARG 301 Cb -0.07 -2.79 -0.04 0.00 0.52 0.00 0.00 34.95 32.58 2a3b s ARG 301 CO 0.07 0.18 0.16 -1.54 0.02 0.00 0.00 175.30 174.19 2a3b s SER 302 N 0.47 5.52 -0.03 0.23 1.04 -0.64 -0.17 113.70 120.12 2a3b s SER 302 Ca -0.06 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.19 2a3b s SER 302 Cb -0.15 -1.43 0.03 0.00 0.10 0.00 0.00 66.02 64.57 2a3b s SER 302 CO 0.04 0.02 0.00 -0.36 0.98 0.00 0.00 173.24 173.93 2a3b s PHE 303 N -1.91 0.32 0.27 5.02 0.40 0.76 -4.61 117.98 118.22 2a3b s PHE 303 Ca 0.32 0.01 0.04 0.00 -0.60 0.00 0.00 56.93 56.70 2a3b s PHE 303 Cb -0.09 -0.44 -0.03 0.00 0.51 0.00 0.00 43.02 42.97 2a3b s PHE 303 CO 0.24 -0.15 0.40 0.00 0.70 0.00 0.00 175.22 176.41 2a3b s ALA 304 N 1.16 3.92 -1.32 5.36 0.00 0.05 -1.25 121.76 129.69 2a3b s ALA 304 Ca -0.08 -1.20 -0.09 0.00 0.00 0.00 0.00 51.96 50.58 2a3b s ALA 304 Cb -0.13 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.21 2a3b s ALA 304 CO -0.02 0.17 0.53 0.09 0.00 0.00 0.00 175.76 176.53 2a3b n ASN 305 N -1.49 -2.04 -4.15 0.00 3.02 -0.89 -1.04 115.26 108.67 2a3b n ASN 305 Ca -0.07 -1.05 -0.21 0.00 -0.03 0.00 0.00 54.58 53.22 2a3b n ASN 305 Cb 0.57 -2.95 -0.14 0.00 -0.61 0.00 0.00 39.78 36.65 2a3b n ASN 305 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2a3b s THR 306 N -3.80 1.19 0.03 3.41 -1.32 -0.78 -3.81 115.64 110.56 2a3b s THR 306 Ca 0.18 -0.99 0.14 0.00 -1.21 0.00 0.00 61.69 59.81 2a3b s THR 306 Cb -0.07 -1.06 0.02 0.00 -1.51 0.00 0.00 72.50 69.87 2a3b s THR 306 CO 0.89 0.06 1.50 0.44 -2.21 0.00 0.00 174.62 175.31 2a3b h ASP 307 N 5.00 0.00 0.00 8.08 3.32 -1.86 -3.42 116.42 127.54 2a3b h ASP 307 Ca -0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.67 2a3b h ASP 307 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2a3b h ASP 307 CO 0.44 0.58 0.00 0.61 -1.72 0.00 0.00 179.24 179.16 2a3b n GLY 308 N 0.90 -1.37 3.77 2.75 0.00 -1.26 -5.10 105.19 104.88 2a3b n GLY 308 Ca 0.01 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 2a3b n GLY 308 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2a3b s PRO 309 N -1.08 4.20 -0.71 1.61 0.02 -1.26 -2.85 135.00 134.92 2a3b s PRO 309 Ca 0.00 2.45 -0.00 0.00 0.02 0.00 0.00 61.00 63.47 2a3b s PRO 309 Cb 0.00 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.50 2a3b s PRO 309 CO 0.00 -0.44 0.00 0.41 -0.33 0.00 0.00 177.00 176.65 2a3b n GLY 310 N 0.95 0.03 3.35 0.52 0.00 -0.36 -4.72 105.19 104.96 2a3b n GLY 310 Ca 0.02 -0.54 -0.18 0.00 0.00 0.00 0.00 46.02 45.32 2a3b n GLY 310 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a3b s LYS 311 N -4.43 1.35 0.66 1.61 -0.14 -1.13 -4.67 119.74 113.00 2a3b s LYS 311 Ca 0.00 -1.64 -0.17 0.00 -1.36 0.00 0.00 55.97 52.79 2a3b s LYS 311 Cb -0.00 -0.94 -0.01 0.00 -1.68 0.00 0.00 37.83 35.20 2a3b s LYS 311 CO 0.00 0.06 1.21 -2.30 -0.76 0.00 0.00 175.35 173.56 2a3b n PRO 312 N -0.42 0.95 -4.13 -1.68 -0.02 -1.26 -0.91 135.00 127.52 2a3b n PRO 312 Ca -0.07 0.38 -0.11 0.00 -2.02 0.00 0.00 63.50 61.68 2a3b n PRO 312 Cb 0.62 -2.44 -0.08 0.00 -0.02 0.00 0.00 33.50 31.57 2a3b n PRO 312 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2a3b s TYR 313 N -1.50 0.90 -0.29 6.00 1.13 -1.26 -4.24 117.35 118.08 2a3b s TYR 313 Ca 0.80 -1.16 -0.02 0.00 -1.41 0.00 0.00 57.07 55.28 2a3b s TYR 313 Cb -0.37 -0.30 0.12 0.00 -1.10 0.00 0.00 41.96 40.30 2a3b s TYR 313 CO 0.43 -0.77 0.20 1.21 -2.51 0.00 0.00 175.55 174.11 2a3b s ASN 314 N -3.12 2.73 0.00 -0.18 2.47 -0.21 -5.00 114.94 111.63 2a3b s ASN 314 Ca 0.33 -1.07 0.00 0.00 0.42 0.00 0.00 52.86 52.54 2a3b s ASN 314 Cb 0.04 0.02 0.00 0.00 -1.45 0.00 0.00 41.25 39.86 2a3b s ASN 314 CO 0.12 -0.42 0.00 0.61 -3.72 0.00 0.00 177.10 173.69 2a3b n GLY 315 N 5.26 -0.73 0.00 1.21 0.00 -1.26 -4.36 105.19 105.31 2a3b n GLY 315 Ca -0.04 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.30 2a3b n GLY 315 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2a3b n VAL 316 N -0.76 0.47 -4.45 1.61 0.24 -1.26 -0.77 118.33 113.42 2a3b n VAL 316 Ca 0.00 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 2a3b n VAL 316 Cb 0.00 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 2a3b n VAL 316 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2a3b n GLY 317 N -0.24 -0.80 0.00 7.63 0.00 -1.26 -3.86 105.19 106.65 2a3b n GLY 317 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2a3b n GLY 317 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2a3b n GLN 318 N -0.30 3.45 -2.39 1.61 6.02 -1.26 -3.32 117.38 121.18 2a3b n GLN 318 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 2a3b n GLN 318 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2a3b n GLN 318 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2a3b n GLY 319 N 5.00 0.55 0.07 1.08 0.00 -1.26 -0.01 105.19 110.61 2a3b n GLY 319 Ca 0.00 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 2a3b n GLY 319 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2a3b h SER 320 N 0.51 0.00 0.00 1.61 0.02 -1.30 -3.43 113.55 110.96 2a3b h SER 320 Ca -0.06 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 59.99 2a3b h SER 320 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2a3b h SER 320 CO 0.08 0.96 -0.53 0.79 -1.14 0.00 0.00 176.83 176.98 2a3b n TRP 321 N -4.62 0.00 -3.72 3.45 7.02 -1.26 -5.05 117.44 113.26 2a3b n TRP 321 Ca -0.09 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.25 2a3b n TRP 321 Cb 0.44 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.24 2a3b n TRP 321 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 2a3b s GLU 322 N -1.30 0.70 0.30 -0.99 -1.05 -1.26 -5.13 118.70 109.97 2a3b s GLU 322 Ca 0.00 0.01 -0.29 0.00 -0.15 0.00 0.00 54.97 54.53 2a3b s GLU 322 Cb 0.00 0.32 -0.11 0.00 -0.44 0.00 0.00 34.13 33.91 2a3b s GLU 322 CO 0.00 -0.19 1.45 -0.80 0.95 0.00 0.00 175.26 176.67 2a3b s ASN 323 N -1.06 6.57 0.00 0.83 0.01 -1.26 -2.83 114.94 117.20 2a3b s ASN 323 Ca -0.11 2.80 0.00 0.00 -0.71 0.00 0.00 52.86 54.84 2a3b s ASN 323 Cb -0.04 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.98 2a3b s ASN 323 CO 0.05 -0.74 0.00 0.61 -1.51 0.00 0.00 177.10 175.51 2a3b n GLY 324 N 1.53 0.95 2.98 0.66 0.00 0.98 -4.87 105.19 107.42 2a3b n GLY 324 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 2a3b n GLY 324 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a3b s VAL 325 N -3.07 1.05 -0.04 1.61 1.01 -1.13 -1.62 120.40 118.22 2a3b s VAL 325 Ca 0.00 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.64 2a3b s VAL 325 Cb 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 2a3b s VAL 325 CO 0.00 0.35 -0.21 0.26 0.00 0.00 0.00 175.10 175.50 2a3b s TRP 326 N 0.99 1.97 0.39 5.22 0.52 0.23 -0.75 118.94 127.51 2a3b s TRP 326 Ca -0.09 -0.50 -0.27 0.00 0.02 0.00 0.00 56.10 55.27 2a3b s TRP 326 Cb -0.15 -1.29 -0.10 0.00 -1.15 0.00 0.00 33.47 30.78 2a3b s TRP 326 CO -0.00 -0.13 1.41 -0.51 0.02 0.00 0.00 176.95 177.75 2a3b s ASP 327 N -0.22 6.31 0.33 2.95 1.01 -1.26 -0.03 116.67 125.76 2a3b s ASP 327 Ca 0.01 2.90 0.01 0.00 0.71 0.00 0.00 52.55 56.18 2a3b s ASP 327 Cb -0.11 -2.66 0.57 0.00 1.01 0.00 0.00 42.92 41.73 2a3b s ASP 327 CO 0.01 -0.88 1.99 0.22 0.21 0.00 0.00 175.17 176.72 2a3b h TYR 328 N 2.87 0.87 0.00 4.23 3.20 -1.16 -0.75 116.97 126.22 2a3b h TYR 328 Ca -0.50 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.38 2a3b h TYR 328 Cb 1.24 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.22 2a3b h TYR 328 CO 0.53 0.56 0.00 0.36 -1.64 0.00 0.00 178.16 177.97 2a3b n LYS 329 N -4.42 0.00 -0.06 1.82 2.85 -0.38 -0.80 118.16 117.18 2a3b n LYS 329 Ca 0.07 0.36 0.12 0.00 -1.05 0.00 0.00 58.31 57.82 2a3b n LYS 329 Cb 0.05 -1.50 0.22 0.00 -0.65 0.00 0.00 35.03 33.14 2a3b n LYS 329 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2a3b n ALA 330 N -1.49 2.47 -2.48 0.58 0.00 -0.29 -4.96 120.51 114.34 2a3b n ALA 330 Ca 0.02 -0.73 -0.28 0.00 0.00 0.00 0.00 53.44 52.45 2a3b n ALA 330 Cb 0.09 -0.90 -0.11 0.00 0.00 0.00 0.00 19.45 18.52 2a3b n ALA 330 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2a3b s LEU 331 N -1.81 2.66 0.57 0.00 1.43 0.02 -3.98 118.68 117.56 2a3b s LEU 331 Ca 0.33 -0.65 -0.14 0.00 -1.03 0.00 0.00 54.13 52.63 2a3b s LEU 331 Cb 0.21 -1.45 -0.06 0.00 0.03 0.00 0.00 46.19 44.92 2a3b s LEU 331 CO 0.31 0.15 1.01 -2.16 0.23 0.00 0.00 176.35 175.89 2a3b s PRO 332 N -2.40 3.70 0.49 1.29 0.04 -1.26 -5.01 135.00 131.85 2a3b s PRO 332 Ca 0.20 0.93 -0.16 0.00 0.04 0.00 0.00 61.00 62.01 2a3b s PRO 332 Cb -0.10 -2.10 -0.08 0.00 0.04 0.00 0.00 34.50 32.27 2a3b s PRO 332 CO 0.11 -0.48 0.94 -0.65 0.04 0.00 0.00 177.00 176.96 2a3b s GLN 333 N -4.45 3.94 0.30 4.56 -0.21 -1.26 -4.99 119.66 117.56 2a3b s GLN 333 Ca 0.58 0.88 -0.28 0.00 0.02 0.00 0.00 55.36 56.56 2a3b s GLN 333 Cb -0.11 -2.19 -0.14 0.00 1.00 0.00 0.00 33.01 31.57 2a3b s GLN 333 CO 0.40 -0.21 1.11 0.00 -2.12 0.00 0.00 175.29 174.47 2a3b n ALA 334 N -1.44 0.21 0.00 6.09 0.00 -1.26 -1.83 120.51 122.27 2a3b n ALA 334 Ca 0.06 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2a3b n ALA 334 Cb 0.54 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.90 2a3b n ALA 334 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a3b n GLY 335 N 1.17 2.64 3.93 0.00 0.00 -1.26 -5.04 105.19 106.63 2a3b n GLY 335 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 2a3b n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a3b s ALA 336 N -2.23 3.85 -0.05 4.61 0.00 -0.76 -4.64 121.76 122.54 2a3b s ALA 336 Ca 0.00 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.12 2a3b s ALA 336 Cb 0.00 -1.95 -0.01 0.00 0.00 0.00 0.00 23.12 21.16 2a3b s ALA 336 CO 0.00 0.40 -0.23 0.99 0.00 0.00 0.00 175.76 176.92 2a3b s THR 337 N -1.89 1.90 0.36 0.00 2.01 -0.33 -4.87 115.64 112.82 2a3b s THR 337 Ca 0.38 -0.99 -0.18 0.00 0.31 0.00 0.00 61.69 61.21 2a3b s THR 337 Cb -0.11 -1.60 -0.10 0.00 0.01 0.00 0.00 72.50 70.70 2a3b s THR 337 CO 0.29 0.53 0.83 -1.61 -0.69 0.00 0.00 174.62 173.98 2a3b s GLU 338 N -0.20 4.14 -0.01 4.92 2.02 -1.26 -0.80 118.70 127.51 2a3b s GLU 338 Ca -0.01 0.89 0.01 0.00 0.02 0.00 0.00 54.97 55.88 2a3b s GLU 338 Cb -0.12 -2.38 0.00 0.00 0.10 0.00 0.00 34.13 31.73 2a3b s GLU 338 CO 0.03 0.10 -0.03 -1.01 0.02 0.00 0.00 175.26 174.37 2a3b s HIS 339 N -2.01 0.34 -0.03 1.61 3.76 0.71 -4.96 115.29 114.71 2a3b s HIS 339 Ca 0.56 -0.06 0.07 0.00 -0.15 0.00 0.00 55.06 55.49 2a3b s HIS 339 Cb -0.11 -0.27 -0.02 0.00 1.11 0.00 0.00 32.58 33.30 2a3b s HIS 339 CO 0.16 -0.04 -0.23 0.08 -0.85 0.00 0.00 174.74 173.86 2a3b s VAL 340 N 0.17 2.28 -0.63 -0.90 1.01 -1.26 -1.08 120.40 119.99 2a3b s VAL 340 Ca -0.01 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 60.99 2a3b s VAL 340 Cb -0.04 -1.81 0.16 0.00 0.00 0.00 0.00 36.38 34.68 2a3b s VAL 340 CO -0.00 0.58 0.41 -0.76 0.00 0.00 0.00 175.10 175.33 2a3b s LEU 341 N -0.61 4.46 0.38 3.92 1.43 0.29 -4.99 118.68 123.56 2a3b s LEU 341 Ca 0.09 -3.54 0.12 0.00 -1.03 0.00 0.00 54.13 49.77 2a3b s LEU 341 Cb -0.10 -1.56 0.93 0.00 0.03 0.00 0.00 46.19 45.48 2a3b s LEU 341 CO -0.00 -0.14 1.88 1.55 0.23 0.00 0.00 176.35 179.87 2a3b h PRO 342 N 5.76 0.55 0.00 1.29 0.13 -1.96 -1.87 132.00 135.90 2a3b h PRO 342 Ca 0.08 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2a3b h PRO 342 Cb 0.80 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2a3b h PRO 342 CO 0.69 0.37 0.00 -0.25 -0.23 0.00 0.00 178.00 178.57 2a3b n ASP 343 N -4.53 0.00 0.00 1.44 8.00 -1.26 -1.51 116.55 118.69 2a3b n ASP 343 Ca 0.17 0.35 0.00 0.00 0.71 0.00 0.00 54.79 56.02 2a3b n ASP 343 Cb 0.52 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 2a3b n ASP 343 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2a3b n ILE 344 N -1.43 0.51 -3.70 0.53 -5.35 -0.86 -4.63 119.36 104.43 2a3b n ILE 344 Ca 0.06 -0.75 -0.26 0.00 -0.27 0.00 0.00 62.75 61.53 2a3b n ILE 344 Cb 0.18 0.75 0.03 0.00 -1.74 0.00 0.00 39.64 38.87 2a3b n ILE 344 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 2a3b n MET 345 N -0.26 -2.73 -4.06 6.28 2.81 -0.57 -0.91 117.12 117.69 2a3b n MET 345 Ca 0.00 0.53 -0.10 0.00 -1.81 0.00 0.00 57.70 56.32 2a3b n MET 345 Cb 0.13 -4.64 -0.11 0.00 -0.71 0.00 0.00 33.22 27.89 2a3b n MET 345 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2a3b s ALA 346 N -3.61 0.48 0.07 3.04 0.00 -1.06 -4.27 121.76 116.40 2a3b s ALA 346 Ca 0.25 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 2a3b s ALA 346 Cb -0.08 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2a3b s ALA 346 CO 0.84 -0.20 -0.02 -1.54 0.00 0.00 0.00 175.76 174.85 2a3b s SER 347 N -2.16 0.51 0.12 0.00 1.04 -1.26 -0.55 113.70 111.40 2a3b s SER 347 Ca -0.04 -1.04 -0.24 0.00 0.48 0.00 0.00 55.95 55.11 2a3b s SER 347 Cb -0.02 0.21 0.08 0.00 0.10 0.00 0.00 66.02 66.38 2a3b s SER 347 CO -0.04 -0.61 0.67 -0.72 0.98 0.00 0.00 173.24 173.52 2a3b s TYR 348 N -3.92 -0.49 0.09 5.02 1.13 -0.24 -3.44 117.35 115.51 2a3b s TYR 348 Ca 0.10 0.30 0.06 0.00 -1.41 0.00 0.00 57.07 56.12 2a3b s TYR 348 Cb 0.08 0.55 -0.04 0.00 -1.10 0.00 0.00 41.96 41.45 2a3b s TYR 348 CO -0.08 -0.77 -0.04 -1.54 -2.51 0.00 0.00 175.55 170.61 2a3b s SER 349 N -2.68 4.77 -0.05 -0.18 1.04 -0.56 -0.21 113.70 115.84 2a3b s SER 349 Ca 0.02 -0.25 -0.03 0.00 0.48 0.00 0.00 55.95 56.16 2a3b s SER 349 Cb -0.01 -1.06 0.02 0.00 0.10 0.00 0.00 66.02 65.07 2a3b s SER 349 CO -0.12 0.18 0.12 -0.47 0.98 0.00 0.00 173.24 173.93 2a3b s TYR 350 N -1.26 -0.13 -0.31 5.02 5.04 0.02 -1.67 117.35 124.06 2a3b s TYR 350 Ca 0.24 0.35 0.02 0.00 -2.44 0.00 0.00 57.07 55.24 2a3b s TYR 350 Cb -0.11 -0.01 0.08 0.00 0.35 0.00 0.00 41.96 42.26 2a3b s TYR 350 CO 0.16 -0.10 0.00 0.34 -1.34 0.00 0.00 175.55 174.62 2a3b s ASP 351 N 0.47 4.72 0.47 4.32 -1.08 -0.63 -1.18 116.67 123.76 2a3b s ASP 351 Ca -0.03 -1.76 0.26 0.00 -0.52 0.00 0.00 52.55 50.49 2a3b s ASP 351 Cb -0.05 -1.63 1.12 0.00 -1.46 0.00 0.00 42.92 40.90 2a3b s ASP 351 CO -0.02 -0.31 1.92 0.00 0.52 0.00 0.00 175.17 177.27 2a3b h ALA 352 N 7.76 1.10 -0.63 3.66 0.00 -1.87 0.28 119.26 129.56 2a3b h ALA 352 Ca -0.12 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 2a3b h ALA 352 Cb 1.04 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2a3b h ALA 352 CO 0.52 0.23 0.19 1.79 0.00 0.00 0.00 179.25 181.98 2a3b h THR 353 N 0.00 1.25 -0.15 0.00 1.35 -1.94 -3.21 112.91 110.21 2a3b h THR 353 Ca -0.00 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 2a3b h THR 353 Cb 0.60 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 2a3b h THR 353 CO 0.02 0.32 0.00 -0.46 -0.25 0.00 0.00 175.52 175.16 2a3b n ASN 354 N -4.37 2.26 -3.75 5.36 0.23 -1.17 -5.01 115.26 108.82 2a3b n ASN 354 Ca 0.04 -1.72 -0.26 0.00 -0.53 0.00 0.00 54.58 52.10 2a3b n ASN 354 Cb 0.22 -0.10 0.05 0.00 -2.08 0.00 0.00 39.78 37.87 2a3b n ASN 354 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2a3b n LYS 355 N 0.34 -6.46 -3.86 -3.83 5.02 0.95 -4.30 118.16 106.02 2a3b n LYS 355 Ca 0.07 0.70 -0.35 0.00 -2.02 0.00 0.00 58.31 56.71 2a3b n LYS 355 Cb 0.31 -5.63 -0.10 0.00 -0.02 0.00 0.00 35.03 29.58 2a3b n LYS 355 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2a3b s PHE 356 N -3.35 3.24 -0.03 2.13 5.36 -0.97 -1.86 117.98 122.50 2a3b s PHE 356 Ca 0.53 0.02 0.07 0.00 -0.96 0.00 0.00 56.93 56.60 2a3b s PHE 356 Cb -0.25 -2.17 -0.02 0.00 -0.34 0.00 0.00 43.02 40.24 2a3b s PHE 356 CO 0.79 0.03 -0.26 -1.17 -1.46 0.00 0.00 175.22 173.15 2a3b s LEU 357 N 0.83 2.05 -0.08 6.12 0.20 -0.38 -1.61 118.68 125.81 2a3b s LEU 357 Ca 0.05 -0.48 0.00 0.00 0.69 0.00 0.00 54.13 54.39 2a3b s LEU 357 Cb -0.13 -1.34 0.02 0.00 -0.43 0.00 0.00 46.19 44.31 2a3b s LEU 357 CO 0.02 0.29 -0.07 -0.63 -0.29 0.00 0.00 176.35 175.68 2a3b s ILE 358 N -0.47 0.85 -0.43 6.68 1.01 -0.67 -0.17 121.20 128.00 2a3b s ILE 358 Ca 0.06 -0.24 -0.19 0.00 0.00 0.00 0.00 60.65 60.28 2a3b s ILE 358 Cb -0.11 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.52 2a3b s ILE 358 CO 0.00 0.32 0.54 -0.55 0.00 0.00 0.00 174.94 175.25 2a3b s SER 359 N 1.33 6.26 0.15 3.58 0.15 0.76 -1.49 113.70 124.44 2a3b s SER 359 Ca -0.03 -0.52 -0.13 0.00 0.70 0.00 0.00 55.95 55.98 2a3b s SER 359 Cb -0.14 -2.27 0.01 0.00 -1.71 0.00 0.00 66.02 61.92 2a3b s SER 359 CO -0.03 -0.68 0.35 -0.72 1.20 0.00 0.00 173.24 173.36 2a3b s TYR 360 N 2.46 0.09 -0.05 3.44 1.13 -1.22 -1.51 117.35 121.68 2a3b s TYR 360 Ca 0.17 -0.45 -0.19 0.00 -1.41 0.00 0.00 57.07 55.20 2a3b s TYR 360 Cb -0.16 0.12 -0.05 0.00 -1.10 0.00 0.00 41.96 40.78 2a3b s TYR 360 CO 0.16 -0.72 0.52 -0.51 -2.51 0.00 0.00 175.55 172.49 2a3b s ASP 361 N -2.88 6.83 0.57 -0.18 1.01 -1.26 -4.10 116.67 116.65 2a3b s ASP 361 Ca 0.09 0.98 0.09 0.00 0.71 0.00 0.00 52.55 54.43 2a3b s ASP 361 Cb 0.02 -2.31 0.08 0.00 1.01 0.00 0.00 42.92 41.72 2a3b s ASP 361 CO -0.06 0.09 0.76 0.54 0.21 0.00 0.00 175.17 176.71 2a3b s ASN 362 N 0.05 5.05 0.36 0.27 2.20 -1.26 -4.91 114.94 116.70 2a3b s ASN 362 Ca 0.28 -0.90 0.05 0.00 -0.94 0.00 0.00 52.86 51.35 2a3b s ASN 362 Cb -0.17 0.33 0.72 0.00 -2.00 0.00 0.00 41.25 40.14 2a3b s ASN 362 CO 0.14 -1.33 1.97 -0.65 -2.94 0.00 0.00 177.10 174.28 2a3b h PRO 363 N 0.22 0.75 -0.69 3.55 0.11 -1.96 -0.44 132.00 133.54 2a3b h PRO 363 Ca -0.30 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.78 2a3b h PRO 363 Cb 1.29 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 2a3b h PRO 363 CO 0.42 0.50 0.44 0.37 -0.21 0.00 0.00 178.00 179.52 2a3b h GLN 364 N 0.78 0.86 -0.37 1.05 4.15 -1.99 0.15 115.11 119.74 2a3b h GLN 364 Ca 0.30 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.54 2a3b h GLN 364 Cb 0.19 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 2a3b h GLN 364 CO -0.09 0.57 -0.27 0.28 -1.93 0.00 0.00 178.83 177.39 2a3b h VAL 365 N 0.89 1.28 -0.81 2.39 2.07 -1.73 -1.61 116.25 118.73 2a3b h VAL 365 Ca 0.27 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 2a3b h VAL 365 Cb -0.04 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 2a3b h VAL 365 CO -0.08 0.46 0.48 0.00 0.02 0.00 0.00 177.57 178.45 2a3b h ALA 366 N 1.04 1.03 -0.57 1.67 0.00 -0.51 -0.06 119.26 121.86 2a3b h ALA 366 Ca 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2a3b h ALA 366 Cb 0.79 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2a3b h ALA 366 CO 0.06 0.51 0.29 -0.91 0.00 0.00 0.00 179.25 179.20 2a3b h ASN 367 N 1.11 0.73 -0.43 0.00 2.35 -0.65 -1.30 115.58 117.40 2a3b h ASN 367 Ca 0.29 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 2a3b h ASN 367 Cb -0.02 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 2a3b h ASN 367 CO -0.05 0.64 0.21 -0.07 -1.65 0.00 0.00 177.43 176.51 2a3b h LEU 368 N 0.77 0.55 -1.50 1.61 3.38 -0.77 -2.08 115.31 117.26 2a3b h LEU 368 Ca 0.20 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2a3b h LEU 368 Cb 0.09 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2a3b h LEU 368 CO -0.03 0.52 -0.25 0.11 0.09 0.00 0.00 178.44 178.88 2a3b h LYS 369 N 0.55 0.00 -0.37 1.13 1.57 -0.84 -0.90 116.57 117.71 2a3b h LYS 369 Ca 0.15 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.79 2a3b h LYS 369 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2a3b h LYS 369 CO -0.02 0.25 -0.32 1.03 -0.57 0.00 0.00 179.45 179.81 2a3b h SER 370 N 0.00 0.93 0.29 0.86 0.87 -0.80 -0.20 113.55 115.50 2a3b h SER 370 Ca -0.00 -0.45 -0.07 0.00 -1.23 0.00 0.00 61.79 60.03 2a3b h SER 370 Cb 0.53 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 2a3b h SER 370 CO 0.03 1.19 -0.32 1.23 -0.53 0.00 0.00 176.83 178.43 2a3b h GLY 371 N 0.68 0.04 0.74 5.77 0.00 -0.79 -1.96 103.07 107.55 2a3b h GLY 371 Ca 0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 2a3b h GLY 371 CO 0.08 0.03 -0.02 -1.82 0.00 0.00 0.00 176.54 174.81 2a3b h TYR 372 N 0.04 0.26 -0.51 5.60 3.20 -0.73 0.10 116.97 124.92 2a3b h TYR 372 Ca 0.00 -0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.88 2a3b h TYR 372 Cb 0.58 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.74 2a3b h TYR 372 CO 0.00 0.52 0.22 0.82 -1.64 0.00 0.00 178.16 178.09 2a3b h ILE 373 N -0.07 0.89 -0.50 1.81 2.04 -0.78 -1.60 117.51 119.30 2a3b h ILE 373 Ca 0.03 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 2a3b h ILE 373 Cb 0.43 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2a3b h ILE 373 CO 0.01 0.08 -0.05 0.11 0.00 0.00 0.00 178.15 178.30 2a3b h LYS 374 N 0.44 0.92 -0.52 2.37 1.57 -1.24 -0.70 116.57 119.41 2a3b h LYS 374 Ca 0.24 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2a3b h LYS 374 Cb 0.20 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2a3b h LYS 374 CO -0.20 0.97 0.28 0.77 -0.57 0.00 0.00 179.45 180.70 2a3b h SER 375 N 0.78 0.63 0.26 0.86 0.02 -0.37 -2.66 113.55 113.06 2a3b h SER 375 Ca 0.14 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2a3b h SER 375 Cb 0.59 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2a3b h SER 375 CO 0.04 0.51 -0.64 0.18 -1.14 0.00 0.00 176.83 175.77 2a3b n LEU 376 N -4.41 0.86 -2.08 5.07 4.32 -0.64 -4.96 117.00 115.16 2a3b n LEU 376 Ca 0.04 -0.26 -0.13 0.00 -0.02 0.00 0.00 56.01 55.64 2a3b n LEU 376 Cb 0.10 -0.13 0.04 0.00 -1.62 0.00 0.00 43.42 41.80 2a3b n LEU 376 CO 0.37 0.20 0.09 0.61 -1.22 0.00 0.00 177.39 177.43 2a3b n GLY 377 N 1.47 0.08 3.65 -0.72 0.00 -0.47 -4.81 105.19 104.40 2a3b n GLY 377 Ca 0.06 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 2a3b n GLY 377 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a3b s LEU 378 N -4.34 1.63 0.00 0.99 1.43 -0.39 -2.57 118.68 115.43 2a3b s LEU 378 Ca 0.27 1.33 0.24 0.00 -1.03 0.00 0.00 54.13 54.95 2a3b s LEU 378 Cb -0.12 -3.52 1.22 0.00 0.03 0.00 0.00 46.19 43.80 2a3b s LEU 378 CO 0.34 -3.22 1.81 0.61 0.23 0.00 0.00 176.35 176.13 2a3b n GLY 379 N -0.75 -1.11 0.00 -3.19 0.00 0.15 -4.69 105.19 95.61 2a3b n GLY 379 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2a3b n GLY 379 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a3b n GLY 380 N 0.81 0.81 3.25 -0.02 0.00 -1.26 -1.21 105.19 107.58 2a3b n GLY 380 Ca 0.11 -1.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.08 2a3b n GLY 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a3b s ALA 381 N -1.14 1.66 0.03 4.61 0.00 -0.22 -0.93 121.76 125.77 2a3b s ALA 381 Ca 0.00 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 50.85 2a3b s ALA 381 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 2a3b s ALA 381 CO 0.00 0.34 -0.07 1.41 0.00 0.00 0.00 175.76 177.43 2a3b s MET 382 N -1.62 0.51 0.03 0.00 0.00 -0.35 -0.60 119.30 117.27 2a3b s MET 382 Ca 0.05 -0.58 0.02 0.00 0.00 0.00 0.00 55.69 55.18 2a3b s MET 382 Cb -0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 34.83 34.37 2a3b s MET 382 CO 0.03 0.07 -0.08 -1.58 0.00 0.00 0.00 175.02 173.47 2a3b s TRP 383 N -0.98 0.68 -0.14 4.11 0.51 0.00 0.42 118.94 123.54 2a3b s TRP 383 Ca -0.06 -0.40 0.01 0.00 -2.12 0.00 0.00 56.10 53.53 2a3b s TRP 383 Cb -0.07 -0.41 0.02 0.00 -0.81 0.00 0.00 33.47 32.19 2a3b s TRP 383 CO 0.00 -0.05 -0.17 -0.46 -0.51 0.00 0.00 176.95 175.75 2a3b s TRP 384 N -1.08 2.33 0.20 -1.98 -0.11 -1.12 -1.66 118.94 115.52 2a3b s TRP 384 Ca -0.06 -1.23 0.04 0.00 1.22 0.00 0.00 56.10 56.07 2a3b s TRP 384 Cb -0.08 -1.65 -0.05 0.00 -1.50 0.00 0.00 33.47 30.19 2a3b s TRP 384 CO 0.00 -0.62 -0.05 0.16 -4.62 0.00 0.00 176.95 171.83 2a3b s ASP 385 N 1.13 1.90 0.60 5.86 1.47 -1.26 -1.27 116.67 125.10 2a3b s ASP 385 Ca -0.02 -1.13 0.30 0.00 1.18 0.00 0.00 52.55 52.88 2a3b s ASP 385 Cb -0.14 -0.01 1.65 0.00 -0.34 0.00 0.00 42.92 44.07 2a3b s ASP 385 CO -0.06 -0.42 2.05 0.77 0.68 0.00 0.00 175.17 178.19 2a3b h SER 386 N 2.59 0.00 1.21 2.11 4.64 -1.24 -3.03 113.55 119.84 2a3b h SER 386 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2a3b h SER 386 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2a3b h SER 386 CO 0.64 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.37 2a3b h SER 387 N 0.00 0.00 -0.33 4.97 4.64 -1.98 -3.35 113.55 117.50 2a3b h SER 387 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2a3b h SER 387 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2a3b h SER 387 CO -0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 2a3b n SER 388 N -2.56 3.57 -4.90 4.97 3.41 -1.14 -5.01 113.62 111.95 2a3b n SER 388 Ca 0.03 -2.54 -0.28 0.00 -0.26 0.00 0.00 58.87 55.82 2a3b n SER 388 Cb 0.35 -0.41 0.01 0.00 -0.26 0.00 0.00 64.21 63.89 2a3b n SER 388 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2a3b s ASP 389 N -1.44 6.16 0.66 4.04 2.15 -1.26 -1.25 116.67 125.74 2a3b s ASP 389 Ca 0.35 1.01 -0.05 0.00 0.43 0.00 0.00 52.55 54.29 2a3b s ASP 389 Cb 0.25 -2.23 0.05 0.00 -0.30 0.00 0.00 42.92 40.69 2a3b s ASP 389 CO 0.13 -0.71 0.96 -0.54 -0.17 0.00 0.00 175.17 174.83 2a3b s LYS 390 N -4.88 2.34 0.38 4.34 1.02 -1.26 -4.61 119.74 117.07 2a3b s LYS 390 Ca 0.50 -0.32 0.07 0.00 0.02 0.00 0.00 55.97 56.24 2a3b s LYS 390 Cb -0.10 -2.24 -0.01 0.00 -0.52 0.00 0.00 37.83 34.95 2a3b s LYS 390 CO 0.47 -1.08 0.42 0.95 -0.92 0.00 0.00 175.35 175.18 2a3b s THR 391 N -3.13 3.25 0.00 2.17 -4.23 -1.26 -4.03 115.64 108.41 2a3b s THR 391 Ca 0.59 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 2a3b s THR 391 Cb -0.11 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.60 2a3b s THR 391 CO 0.44 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 175.05 2a3b n GLY 392 N -1.59 -1.06 0.24 3.99 0.00 -1.26 -3.92 105.19 101.59 2a3b n GLY 392 Ca 0.02 -1.22 0.11 0.00 0.00 0.00 0.00 46.02 44.93 2a3b n GLY 392 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2a3b h SER 393 N 1.64 0.00 0.34 1.61 4.64 -2.01 -2.64 113.55 117.13 2a3b h SER 393 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2a3b h SER 393 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2a3b h SER 393 CO 0.00 0.18 0.00 0.47 -0.87 0.00 0.00 176.83 176.61 2a3b n ASP 394 N -3.48 0.00 -4.72 4.97 8.00 -1.25 -4.54 116.55 115.53 2a3b n ASP 394 Ca -0.01 -0.31 -0.42 0.00 0.71 0.00 0.00 54.79 54.76 2a3b n ASP 394 Cb 0.35 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 2a3b n ASP 394 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2a3b s SER 395 N -2.40 6.43 0.20 -2.24 0.15 -1.00 -4.60 113.70 110.24 2a3b s SER 395 Ca 0.29 2.80 0.02 0.00 0.70 0.00 0.00 55.95 59.75 2a3b s SER 395 Cb 0.18 -2.59 0.13 0.00 -1.71 0.00 0.00 66.02 62.02 2a3b s SER 395 CO 0.37 -0.94 1.48 -0.07 1.20 0.00 0.00 173.24 175.27 2a3b h LEU 396 N 7.05 0.35 -0.16 3.45 3.38 -1.87 -0.62 115.31 126.90 2a3b h LEU 396 Ca -0.43 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.30 2a3b h LEU 396 Cb 1.20 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2a3b h LEU 396 CO 0.95 0.94 0.05 0.40 0.09 0.00 0.00 178.44 180.87 2a3b h ILE 397 N 0.20 1.18 -0.62 1.22 2.04 -1.93 -0.16 117.51 119.45 2a3b h ILE 397 Ca -0.02 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 2a3b h ILE 397 Cb 1.26 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.57 2a3b h ILE 397 CO 0.11 0.17 0.31 0.74 0.00 0.00 0.00 178.15 179.49 2a3b h THR 398 N 0.07 1.21 -0.15 -0.27 2.02 -1.88 -0.37 112.91 113.54 2a3b h THR 398 Ca 0.05 -0.58 0.02 0.00 0.77 0.00 0.00 66.41 66.67 2a3b h THR 398 Cb 0.22 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 2a3b h THR 398 CO -0.00 0.24 0.03 0.74 0.37 0.00 0.00 175.52 176.90 2a3b h THR 399 N 0.85 0.93 -0.22 3.16 2.02 -0.91 -0.33 112.91 118.41 2a3b h THR 399 Ca 0.22 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 2a3b h THR 399 Cb 0.10 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2a3b h THR 399 CO -0.03 0.02 0.06 0.58 0.37 0.00 0.00 175.52 176.52 2a3b h VAL 400 N 0.09 1.20 -0.77 3.16 2.07 -0.82 -1.42 116.25 119.75 2a3b h VAL 400 Ca 0.07 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 66.98 2a3b h VAL 400 Cb 0.06 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 2a3b h VAL 400 CO -0.09 0.20 0.50 0.58 0.02 0.00 0.00 177.57 178.77 2a3b h VAL 401 N 0.18 1.15 -0.41 2.57 2.07 -0.82 -0.04 116.25 120.95 2a3b h VAL 401 Ca 0.07 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 2a3b h VAL 401 Cb 0.25 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 2a3b h VAL 401 CO -0.00 0.18 0.12 0.78 0.02 0.00 0.00 177.57 178.67 2a3b h ASN 402 N 0.99 0.60 0.34 0.57 2.35 -0.97 0.57 115.58 120.02 2a3b h ASN 402 Ca 0.30 -0.21 -0.05 0.00 -0.55 0.00 0.00 56.30 55.79 2a3b h ASN 402 Cb -0.05 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 2a3b h ASN 402 CO -0.09 0.65 -0.23 0.00 -1.65 0.00 0.00 177.43 176.11 2a3b h ALA 403 N 0.97 1.44 0.00 -0.83 0.00 -0.60 -1.80 119.26 118.44 2a3b h ALA 403 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2a3b h ALA 403 Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2a3b h ALA 403 CO -0.00 0.29 0.00 1.28 0.00 0.00 0.00 179.25 180.82 2a3b n LEU 404 N -4.00 0.71 0.00 0.00 4.77 -0.09 -4.84 117.00 113.55 2a3b n LEU 404 Ca -0.02 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 2a3b n LEU 404 Cb 0.31 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2a3b n LEU 404 CO 0.35 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 2a3b n GLY 405 N 0.89 1.13 0.00 -0.72 0.00 -0.68 -4.89 105.19 100.92 2a3b n GLY 405 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2a3b n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a3b n GLY 406 N 0.00 -0.34 0.33 -0.02 0.00 0.17 -4.41 105.19 100.92 2a3b n GLY 406 Ca 0.00 -1.76 0.22 0.00 0.00 0.00 0.00 46.02 44.47 2a3b n GLY 406 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2a3b h THR 407 N 0.00 0.09 0.00 2.61 1.35 -1.91 -2.09 112.91 112.96 2a3b h THR 407 Ca 0.00 -0.02 -0.00 0.00 -0.55 0.00 0.00 66.41 65.84 2a3b h THR 407 Cb 0.00 1.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.44 2a3b h THR 407 CO 0.00 0.00 -0.02 1.23 -0.25 0.00 0.00 175.52 176.49 2a3b h GLY 408 N 0.06 0.00 -0.57 5.82 0.00 -1.97 -1.74 103.07 104.68 2a3b h GLY 408 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2a3b h GLY 408 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.87 2a3b n VAL 409 N -3.96 0.11 -2.17 4.60 0.24 -0.78 -4.93 118.33 111.44 2a3b n VAL 409 Ca -0.03 -0.29 -0.37 0.00 -2.04 0.00 0.00 64.34 61.61 2a3b n VAL 409 Cb 0.10 0.38 -0.00 0.00 -1.47 0.00 0.00 33.84 32.85 2a3b n VAL 409 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2a3b s PHE 410 N -1.89 2.78 0.30 6.34 0.08 -0.66 -1.03 117.98 123.90 2a3b s PHE 410 Ca 0.35 1.50 -0.29 0.00 0.12 0.00 0.00 56.93 58.61 2a3b s PHE 410 Cb 0.19 -3.46 -0.11 0.00 -0.57 0.00 0.00 43.02 39.07 2a3b s PHE 410 CO 0.30 -1.76 1.50 -2.00 -0.10 0.00 0.00 175.22 173.15 2a3b s GLU 411 N -2.71 4.19 -0.17 0.44 2.12 0.90 -4.57 118.70 118.90 2a3b s GLU 411 Ca 0.65 2.46 -0.04 0.00 0.36 0.00 0.00 54.97 58.40 2a3b s GLU 411 Cb -0.31 -3.04 -0.02 0.00 0.26 0.00 0.00 34.13 31.02 2a3b s GLU 411 CO 0.38 -0.50 -0.04 -0.65 -0.54 0.00 0.00 175.26 173.91 2a3b s GLN 412 N -0.96 3.60 -0.30 4.30 -1.52 0.67 -4.88 119.66 120.56 2a3b s GLN 412 Ca 0.58 -0.54 -0.10 0.00 -1.95 0.00 0.00 55.36 53.34 2a3b s GLN 412 Cb -0.45 -2.94 0.15 0.00 -0.22 0.00 0.00 33.01 29.55 2a3b s GLN 412 CO 0.51 0.13 0.77 0.45 -0.25 0.00 0.00 175.29 176.90 2a3b s SER 413 N 0.64 -0.97 0.33 5.90 0.15 -1.26 -1.42 113.70 117.07 2a3b s SER 413 Ca -0.02 1.14 -0.29 0.00 0.70 0.00 0.00 55.95 57.48 2a3b s SER 413 Cb -0.14 2.03 -0.11 0.00 -1.71 0.00 0.00 66.02 66.09 2a3b s SER 413 CO 0.02 -0.18 1.51 -1.10 1.20 0.00 0.00 173.24 174.69 2a3b s GLN 414 N 2.76 4.15 0.79 5.44 -1.52 -1.26 -4.59 119.66 125.43 2a3b s GLN 414 Ca -0.00 2.52 -0.13 0.00 -1.95 0.00 0.00 55.36 55.80 2a3b s GLN 414 Cb -0.11 -3.01 0.18 0.00 -0.22 0.00 0.00 33.01 29.86 2a3b s GLN 414 CO -0.18 -0.53 1.08 0.27 -0.25 0.00 0.00 175.29 175.67 2a3b n ASN 415 N 1.30 0.09 -4.52 5.90 0.23 0.79 -5.00 115.26 114.04 2a3b n ASN 415 Ca 0.04 -1.39 -0.34 0.00 -0.53 0.00 0.00 54.58 52.36 2a3b n ASN 415 Cb 0.39 -0.82 -0.12 0.00 -2.08 0.00 0.00 39.78 37.15 2a3b n ASN 415 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 2a3b s GLU 416 N -5.35 3.74 -0.01 -3.83 2.56 -1.26 -4.98 118.70 109.57 2a3b s GLU 416 Ca 0.61 -0.47 0.10 0.00 0.00 0.00 0.00 54.97 55.21 2a3b s GLU 416 Cb -0.02 -3.06 -0.15 0.00 2.00 0.00 0.00 34.13 32.90 2a3b s GLU 416 CO 0.43 0.18 0.25 1.28 -0.56 0.00 0.00 175.26 176.84 2a3b n LEU 417 N 3.76 0.06 -4.65 2.70 4.77 -1.26 -4.93 117.00 117.46 2a3b n LEU 417 Ca -0.17 -0.06 -0.39 0.00 -0.03 0.00 0.00 56.01 55.36 2a3b n LEU 417 Cb 0.52 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 2a3b n LEU 417 CO 0.33 0.02 0.16 -0.62 -1.33 0.00 0.00 177.39 175.94 2a3b s ASP 418 N -3.04 6.43 -0.48 -1.43 2.15 -1.26 -4.78 116.67 114.26 2a3b s ASP 418 Ca -0.03 0.51 0.05 0.00 0.43 0.00 0.00 52.55 53.52 2a3b s ASP 418 Cb 0.07 -2.25 0.20 0.00 -0.30 0.00 0.00 42.92 40.63 2a3b s ASP 418 CO 0.43 -0.16 0.45 -1.22 -0.17 0.00 0.00 175.17 174.50 2a3b n TYR 419 N 4.92 0.43 0.31 -5.34 4.02 -1.26 -4.92 117.16 115.32 2a3b n TYR 419 Ca -0.07 -3.64 0.20 0.00 -0.01 0.00 0.00 57.90 54.39 2a3b n TYR 419 Cb 0.51 -0.13 1.00 0.00 -0.02 0.00 0.00 39.34 40.69 2a3b n TYR 419 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2a3b h PRO 420 N 5.03 0.00 -0.36 -0.72 0.13 -1.83 -2.92 132.00 131.33 2a3b h PRO 420 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2a3b h PRO 420 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2a3b h PRO 420 CO 0.50 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 179.61 2a3b n VAL 421 N -3.11 2.00 -2.21 1.56 0.24 -1.26 -5.00 118.33 110.55 2a3b n VAL 421 Ca -0.02 -1.56 -0.41 0.00 -2.04 0.00 0.00 64.34 60.31 2a3b n VAL 421 Cb 0.17 -0.05 -0.03 0.00 -1.47 0.00 0.00 33.84 32.46 2a3b n VAL 421 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2a3b s SER 422 N -1.50 6.88 0.31 -1.34 0.15 -1.10 -4.80 113.70 112.30 2a3b s SER 422 Ca 0.40 2.41 0.25 0.00 0.70 0.00 0.00 55.95 59.71 2a3b s SER 422 Cb 0.30 -2.61 1.08 0.00 -1.71 0.00 0.00 66.02 63.08 2a3b s SER 422 CO 0.13 -0.54 1.74 0.06 1.20 0.00 0.00 173.24 175.83 2a3b h GLN 423 N 5.39 0.00 -5.30 5.44 3.07 -1.85 -3.42 115.11 118.44 2a3b h GLN 423 Ca -0.45 0.00 -0.63 0.00 0.09 0.00 0.00 58.65 57.66 2a3b h GLN 423 Cb 1.21 0.00 -0.14 0.00 0.08 0.00 0.00 27.48 28.64 2a3b h GLN 423 CO 0.77 0.00 -0.04 0.71 0.09 0.00 0.00 178.83 180.37 2a3b s TYR 424 N -3.41 3.22 0.16 0.06 2.02 -1.26 -4.69 117.35 113.46 2a3b s TYR 424 Ca 0.03 0.43 -0.16 0.00 -0.37 0.00 0.00 57.07 57.00 2a3b s TYR 424 Cb 0.09 -2.81 0.08 0.00 -0.40 0.00 0.00 41.96 38.92 2a3b s TYR 424 CO 0.38 -0.39 1.75 -0.44 -1.57 0.00 0.00 175.55 175.27 2a3b h ASP 425 N 8.22 0.12 -0.61 2.29 3.32 -0.61 0.26 116.42 129.40 2a3b h ASP 425 Ca -0.29 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.80 2a3b h ASP 425 Cb 1.13 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 2a3b h ASP 425 CO 0.74 0.10 0.32 -0.55 -1.72 0.00 0.00 179.24 178.13 2a3b h ASN 426 N 0.27 0.78 -0.13 6.45 -1.07 -1.87 -1.65 115.58 118.37 2a3b h ASN 426 Ca 0.18 -0.11 -0.22 0.00 0.07 0.00 0.00 56.30 56.22 2a3b h ASN 426 Cb 0.17 -0.20 0.01 0.00 -2.07 0.00 0.00 38.32 36.23 2a3b h ASN 426 CO -0.19 0.66 -0.77 0.25 0.07 0.00 0.00 177.43 177.45 2a3b h LEU 427 N 0.84 0.91 -1.72 6.14 6.46 -1.87 0.21 115.31 126.27 2a3b h LEU 427 Ca 0.21 -0.64 0.04 0.00 -0.12 0.00 0.00 57.88 57.37 2a3b h LEU 427 Cb 0.07 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.71 2a3b h LEU 427 CO -0.03 1.41 0.27 -0.09 -0.62 0.00 0.00 178.44 179.37 2a3b h ARG 428 N 0.47 0.35 -0.58 1.25 2.43 -0.83 -0.68 114.38 116.79 2a3b h ARG 428 Ca -0.06 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2a3b h ARG 428 Cb 1.41 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 2a3b h ARG 428 CO 0.16 0.23 0.00 0.09 -1.51 0.00 0.00 179.97 178.94 2a3b n ASN 429 N -4.48 2.76 0.00 -3.80 5.03 -0.63 -4.61 115.26 109.53 2a3b n ASN 429 Ca 0.04 -2.24 0.00 0.00 0.87 0.00 0.00 54.58 53.25 2a3b n ASN 429 Cb 0.20 -0.43 0.00 0.00 -1.02 0.00 0.00 39.78 38.53 2a3b n ASN 429 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2a3b n GLY 430 N 0.72 0.43 3.43 7.41 0.00 -0.26 -4.35 105.19 112.56 2a3b n GLY 430 Ca 0.14 -0.78 -0.15 0.00 0.00 0.00 0.00 46.02 45.22 2a3b n GLY 430 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2a3b n MET 431 N -2.97 -1.41 0.00 1.61 1.56 0.72 -5.00 117.12 111.62 2a3b n MET 431 Ca 0.00 1.02 0.14 0.00 -0.27 0.00 0.00 57.70 58.60 2a3b n MET 431 Cb 0.00 -4.35 0.86 0.00 2.15 0.00 0.00 33.22 31.88 2a3b n MET 431 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28