#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iwe n THR 29 N 0.00 0.14 -2.20 0.00 -2.24 -1.26 -5.03 114.28 103.69 1iwe n THR 29 Ca 0.00 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1iwe n THR 29 Cb 0.00 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 1iwe n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iwe n GLY 30 N 1.31 -1.52 3.83 3.38 0.00 -1.26 -4.81 105.19 106.12 1iwe n GLY 30 Ca 0.07 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 1iwe n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iwe s SER 31 N -4.00 6.88 -0.14 1.61 0.01 0.91 -5.01 113.70 113.96 1iwe s SER 31 Ca 0.00 1.54 -0.04 0.00 1.31 0.00 0.00 55.95 58.76 1iwe s SER 31 Cb 0.00 -2.48 -0.03 0.00 0.21 0.00 0.00 66.02 63.72 1iwe s SER 31 CO 0.00 -0.30 -0.00 -0.13 0.41 0.00 0.00 173.24 173.22 1iwe s ARG 32 N -3.09 3.58 0.53 12.44 0.52 -1.26 -4.77 118.95 126.89 1iwe s ARG 32 Ca 0.59 -0.45 -0.17 0.00 -0.52 0.00 0.00 55.73 55.18 1iwe s ARG 32 Cb -0.10 -2.96 -0.07 0.00 0.52 0.00 0.00 34.95 32.35 1iwe s ARG 32 CO 0.15 0.37 1.02 0.14 0.02 0.00 0.00 175.30 176.99 1iwe s VAL 33 N 0.05 4.15 -0.17 3.52 -7.23 0.79 -4.49 120.40 117.01 1iwe s VAL 33 Ca 0.02 1.10 -0.08 0.00 -1.81 0.00 0.00 61.98 61.21 1iwe s VAL 33 Cb -0.13 -3.55 -0.04 0.00 0.56 0.00 0.00 36.38 33.22 1iwe s VAL 33 CO 0.02 -0.52 0.10 -0.89 -0.31 0.00 0.00 175.10 173.50 1iwe s THR 34 N -2.42 5.13 -0.02 5.32 2.01 0.16 -0.01 115.64 125.82 1iwe s THR 34 Ca 0.62 0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.78 1iwe s THR 34 Cb -0.13 -3.29 -0.02 0.00 0.01 0.00 0.00 72.50 69.07 1iwe s THR 34 CO 0.30 0.50 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.80 1iwe s VAL 35 N -0.07 2.20 -0.21 3.82 1.01 0.12 0.15 120.40 127.42 1iwe s VAL 35 Ca 0.08 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1iwe s VAL 35 Cb -0.12 -1.78 0.03 0.00 0.00 0.00 0.00 36.38 34.52 1iwe s VAL 35 CO 0.00 0.57 -0.16 -0.69 0.00 0.00 0.00 175.10 174.83 1iwe s VAL 36 N -0.64 2.18 0.14 2.92 1.01 -0.70 0.79 120.40 126.10 1iwe s VAL 36 Ca 0.10 -1.19 0.11 0.00 0.00 0.00 0.00 61.98 61.00 1iwe s VAL 36 Cb -0.10 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1iwe s VAL 36 CO -0.01 0.31 -0.26 -0.76 0.00 0.00 0.00 175.10 174.39 1iwe s LEU 37 N 1.23 2.34 0.03 3.92 1.43 0.10 -0.50 118.68 127.22 1iwe s LEU 37 Ca -0.00 -0.77 -0.29 0.00 -1.03 0.00 0.00 54.13 52.04 1iwe s LEU 37 Cb -0.16 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 1iwe s LEU 37 CO -0.09 0.16 0.93 -0.83 0.23 0.00 0.00 176.35 176.75 1iwe s GLY 38 N -2.16 2.90 0.00 -3.19 0.00 -1.26 0.02 107.32 103.63 1iwe s GLY 38 Ca 0.14 0.49 0.21 0.00 0.00 0.00 0.00 44.72 45.57 1iwe s GLY 38 CO 0.06 1.54 1.13 0.00 0.00 0.00 0.00 173.10 175.84 1iwe n ALA 39 N 3.53 2.74 -2.58 3.20 0.00 -0.94 -1.68 120.51 124.78 1iwe n ALA 39 Ca 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1iwe n ALA 39 Cb 0.51 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1iwe n ALA 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1iwe n GLN 40 N 0.84 0.00 -1.11 0.00 6.02 -1.26 -4.53 117.38 117.35 1iwe n GLN 40 Ca 0.11 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 57.03 1iwe n GLN 40 Cb 0.50 0.00 0.15 0.00 1.02 0.00 0.00 30.24 31.91 1iwe n GLN 40 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1iwe n TRP 41 N 0.00 1.23 0.00 1.08 8.01 -1.26 -1.57 117.44 124.93 1iwe n TRP 41 Ca 0.00 -1.81 0.00 0.00 -1.31 0.00 0.00 57.50 54.38 1iwe n TRP 41 Cb 0.00 -0.39 0.00 0.00 -2.01 0.00 0.00 31.31 28.91 1iwe n TRP 41 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1iwe n GLY 42 N -0.99 -0.57 2.54 6.99 0.00 -1.26 -4.68 105.19 107.21 1iwe n GLY 42 Ca 0.32 -1.76 -0.18 0.00 0.00 0.00 0.00 46.02 44.40 1iwe n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iwe n ASP 43 N -0.84 -5.18 0.02 1.61 8.00 -1.26 -4.86 116.55 114.03 1iwe n ASP 43 Ca 0.00 -0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.64 1iwe n ASP 43 Cb 0.00 -4.32 0.57 0.00 -0.02 0.00 0.00 41.12 37.35 1iwe n ASP 43 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1iwe n GLU 44 N -3.11 0.04 -0.07 -1.24 4.71 -1.26 -4.89 120.64 114.82 1iwe n GLU 44 Ca -0.19 0.03 0.00 0.00 -0.01 0.00 0.00 57.16 56.99 1iwe n GLU 44 Cb 0.65 -1.55 0.00 0.00 -1.01 0.00 0.00 31.44 29.53 1iwe n GLU 44 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1iwe n GLY 45 N 1.47 0.94 0.27 0.62 0.00 -1.26 -4.36 105.19 102.87 1iwe n GLY 45 Ca 0.07 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1iwe n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iwe h LYS 46 N 0.00 0.93 -0.18 1.61 1.57 -1.95 -2.93 116.57 115.62 1iwe h LYS 46 Ca 0.00 -0.47 0.02 0.00 -1.87 0.00 0.00 60.65 58.34 1iwe h LYS 46 Cb 0.03 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1iwe h LYS 46 CO 0.00 1.12 0.13 0.78 -0.57 0.00 0.00 179.45 180.91 1iwe h GLY 47 N 0.82 0.16 1.22 3.86 0.00 -1.94 0.28 103.07 107.47 1iwe h GLY 47 Ca 0.07 -0.06 -0.20 0.00 0.00 0.00 0.00 47.33 47.14 1iwe h GLY 47 CO 0.09 0.05 -0.68 1.70 0.00 0.00 0.00 176.54 177.70 1iwe h LYS 48 N 0.15 0.78 -0.17 4.80 3.64 -1.79 0.13 116.57 124.11 1iwe h LYS 48 Ca 0.08 -0.58 -0.19 0.00 -1.27 0.00 0.00 60.65 58.70 1iwe h LYS 48 Cb 0.13 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1iwe h LYS 48 CO -0.01 1.19 -0.65 0.28 -2.27 0.00 0.00 179.45 177.99 1iwe h VAL 49 N 0.56 1.32 -0.15 2.00 2.07 -1.30 -2.82 116.25 117.93 1iwe h VAL 49 Ca -0.02 -1.92 -0.04 0.00 0.82 0.00 0.00 66.70 65.53 1iwe h VAL 49 Cb 1.29 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1iwe h VAL 49 CO 0.14 0.60 -0.08 0.58 0.02 0.00 0.00 177.57 178.83 1iwe h VAL 50 N 0.45 1.32 -0.85 2.57 2.07 -0.95 -0.81 116.25 120.05 1iwe h VAL 50 Ca -0.02 -1.13 0.07 0.00 0.82 0.00 0.00 66.70 66.45 1iwe h VAL 50 Cb 1.23 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 32.68 1iwe h VAL 50 CO 0.13 0.33 0.55 -0.78 0.02 0.00 0.00 177.57 177.82 1iwe h ASP 51 N -0.01 0.81 0.04 0.57 1.82 -1.01 0.50 116.42 119.14 1iwe h ASP 51 Ca 0.03 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.68 1iwe h ASP 51 Cb 0.55 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.40 1iwe h ASP 51 CO 0.02 0.51 -0.02 0.25 -1.61 0.00 0.00 179.24 178.39 1iwe h LEU 52 N 0.91 -0.05 -1.70 2.28 5.85 -1.38 -3.00 115.31 118.22 1iwe h LEU 52 Ca 0.37 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1iwe h LEU 52 Cb 0.27 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1iwe h LEU 52 CO -0.14 0.36 0.00 -0.07 -0.34 0.00 0.00 178.44 178.25 1iwe h LEU 53 N -0.47 0.00 -0.49 2.25 3.38 -0.59 -3.11 115.31 116.29 1iwe h LEU 53 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1iwe h LEU 53 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1iwe h LEU 53 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 1iwe h ALA 54 N 2.00 1.00 -1.03 1.53 0.00 0.13 -3.35 119.26 119.53 1iwe h ALA 54 Ca 0.00 0.00 0.30 0.00 0.00 0.00 0.00 54.91 55.21 1iwe h ALA 54 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1iwe h ALA 54 CO 0.00 0.00 0.76 1.79 0.00 0.00 0.00 179.25 181.80 1iwe h THR 55 N 0.00 0.46 -0.16 0.00 1.35 -1.54 -2.02 112.91 111.00 1iwe h THR 55 Ca 0.00 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 65.68 1iwe h THR 55 Cb 0.76 0.47 -0.29 0.00 -1.73 0.00 0.00 68.15 67.36 1iwe h THR 55 CO 0.00 0.00 -0.89 -0.90 -0.25 0.00 0.00 175.52 173.48 1iwe n ASP 56 N -4.18 1.72 -4.90 5.36 3.85 -1.26 -5.06 116.55 112.09 1iwe n ASP 56 Ca 0.22 -2.70 -0.31 0.00 -0.71 0.00 0.00 54.79 51.29 1iwe n ASP 56 Cb 1.11 -0.40 -0.04 0.00 -1.35 0.00 0.00 41.12 40.44 1iwe n ASP 56 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1iwe s ALA 57 N -1.94 3.73 -0.12 2.12 0.00 -0.76 -4.85 121.76 119.94 1iwe s ALA 57 Ca 0.36 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.78 1iwe s ALA 57 Cb 0.37 -2.20 -0.25 0.00 0.00 0.00 0.00 23.12 21.05 1iwe s ALA 57 CO -0.10 0.56 0.37 -0.25 0.00 0.00 0.00 175.76 176.35 1iwe n ASP 58 N -0.16 1.76 -3.93 0.00 8.00 0.35 -4.49 116.55 118.08 1iwe n ASP 58 Ca -0.02 0.22 -0.21 0.00 0.71 0.00 0.00 54.79 55.49 1iwe n ASP 58 Cb 0.52 -0.58 -0.16 0.00 -0.02 0.00 0.00 41.12 40.88 1iwe n ASP 58 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1iwe s ILE 59 N -2.56 0.65 -0.17 0.53 -1.09 -1.04 -1.15 121.20 116.38 1iwe s ILE 59 Ca -0.19 -0.21 0.01 0.00 -2.23 0.00 0.00 60.65 58.03 1iwe s ILE 59 Cb 0.07 -0.65 0.03 0.00 -1.58 0.00 0.00 42.46 40.33 1iwe s ILE 59 CO 0.77 0.24 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.89 1iwe s VAL 60 N 0.77 1.70 0.29 2.92 1.01 -0.67 0.34 120.40 126.76 1iwe s VAL 60 Ca -0.11 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.16 1iwe s VAL 60 Cb -0.14 -1.63 -0.06 0.00 0.00 0.00 0.00 36.38 34.56 1iwe s VAL 60 CO 0.01 0.40 -0.12 -0.94 0.00 0.00 0.00 175.10 174.45 1iwe s SER 61 N 1.42 3.28 -0.08 3.32 1.04 0.12 -0.87 113.70 121.93 1iwe s SER 61 Ca 0.03 -1.13 -0.01 0.00 0.48 0.00 0.00 55.95 55.33 1iwe s SER 61 Cb -0.14 -0.26 -0.03 0.00 0.10 0.00 0.00 66.02 65.69 1iwe s SER 61 CO -0.10 -0.18 -0.03 -0.60 0.98 0.00 0.00 173.24 173.31 1iwe s ARG 62 N -3.62 2.90 0.00 4.02 6.06 0.98 -0.15 118.95 129.14 1iwe s ARG 62 Ca 0.30 -0.48 0.00 0.00 -2.50 0.00 0.00 55.73 53.05 1iwe s ARG 62 Cb 0.01 -2.70 0.00 0.00 0.06 0.00 0.00 34.95 32.31 1iwe s ARG 62 CO 0.14 0.67 0.00 0.00 -2.50 0.00 0.00 175.30 173.60 1iwe n GLN 64 N -1.40 0.62 -0.10 0.00 1.13 -1.26 -3.17 117.38 113.20 1iwe n GLN 64 Ca 0.00 -2.53 0.01 0.00 -1.94 0.00 0.00 57.00 52.55 1iwe n GLN 64 Cb 0.00 1.47 -0.00 0.00 0.11 0.00 0.00 30.24 31.82 1iwe n GLN 64 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1iwe n GLY 65 N -0.05 -1.70 0.00 1.08 0.00 -1.26 -4.70 105.19 98.56 1iwe n GLY 65 Ca -0.03 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1iwe n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iwe n GLY 66 N -0.37 5.32 1.03 -0.02 0.00 -1.26 -2.24 105.19 107.64 1iwe n GLY 66 Ca 0.00 -0.76 0.04 0.00 0.00 0.00 0.00 46.02 45.30 1iwe n GLY 66 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1iwe n ASN 67 N 0.00 2.88 0.19 1.61 0.23 -1.26 -3.26 115.26 115.66 1iwe n ASN 67 Ca 0.00 -2.33 0.07 0.00 -0.53 0.00 0.00 54.58 51.79 1iwe n ASN 67 Cb 0.00 -0.50 0.30 0.00 -2.08 0.00 0.00 39.78 37.49 1iwe n ASN 67 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1iwe h ASN 68 N 1.89 0.00 -3.98 0.53 -1.07 -1.94 -3.43 115.58 107.58 1iwe h ASN 68 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 56.30 55.90 1iwe h ASN 68 Cb 1.02 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 37.28 1iwe h ASN 68 CO 0.18 0.32 0.39 0.00 0.07 0.00 0.00 177.43 178.39 1iwe s ALA 69 N -3.43 3.07 -0.21 4.14 0.00 -1.20 -4.80 121.76 119.32 1iwe s ALA 69 Ca 0.02 0.61 -0.05 0.00 0.00 0.00 0.00 51.96 52.54 1iwe s ALA 69 Cb 0.09 -3.24 0.11 0.00 0.00 0.00 0.00 23.12 20.09 1iwe s ALA 69 CO 0.68 -0.11 0.39 0.20 0.00 0.00 0.00 175.76 176.91 1iwe s GLY 70 N -1.73 -0.37 0.28 0.00 0.00 -1.26 -4.28 107.32 99.96 1iwe s GLY 70 Ca 0.59 1.19 0.11 0.00 0.00 0.00 0.00 44.72 46.60 1iwe s GLY 70 CO 0.24 2.50 -0.09 0.30 0.00 0.00 0.00 173.10 176.04 1iwe s HIS 71 N 2.57 2.49 -0.16 1.90 3.76 0.97 -4.65 115.29 122.17 1iwe s HIS 71 Ca 0.05 -0.29 -0.01 0.00 -0.15 0.00 0.00 55.06 54.66 1iwe s HIS 71 Cb -0.14 -1.13 0.04 0.00 1.11 0.00 0.00 32.58 32.46 1iwe s HIS 71 CO -0.14 0.65 -0.05 0.99 -0.85 0.00 0.00 174.74 175.34 1iwe s THR 72 N -2.43 1.07 -0.20 1.30 2.01 -1.26 -0.47 115.64 115.66 1iwe s THR 72 Ca 0.31 -0.56 -0.09 0.00 0.31 0.00 0.00 61.69 61.66 1iwe s THR 72 Cb -0.05 -1.23 -0.05 0.00 0.01 0.00 0.00 72.50 71.18 1iwe s THR 72 CO 0.18 0.16 0.12 -0.69 -0.69 0.00 0.00 174.62 173.70 1iwe s VAL 73 N 1.66 5.22 -0.37 3.82 1.01 0.66 -4.69 120.40 127.70 1iwe s VAL 73 Ca 0.01 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 1iwe s VAL 73 Cb -0.15 -3.39 0.09 0.00 0.00 0.00 0.00 36.38 32.93 1iwe s VAL 73 CO -0.08 0.42 0.13 -0.69 0.00 0.00 0.00 175.10 174.89 1iwe s VAL 74 N 0.53 3.24 -0.15 2.92 1.01 -1.25 -0.39 120.40 126.31 1iwe s VAL 74 Ca 0.07 -1.78 0.00 0.00 0.00 0.00 0.00 61.98 60.27 1iwe s VAL 74 Cb -0.12 -3.08 0.03 0.00 0.00 0.00 0.00 36.38 33.20 1iwe s VAL 74 CO 0.00 -0.47 -0.12 -0.69 0.00 0.00 0.00 175.10 173.82 1iwe s VAL 75 N 1.19 1.46 -1.03 2.92 1.01 0.66 -3.24 120.40 123.38 1iwe s VAL 75 Ca 0.04 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 1iwe s VAL 75 Cb -0.22 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 1iwe s VAL 75 CO -0.03 0.38 0.87 0.47 0.00 0.00 0.00 175.10 176.80 1iwe n ASP 76 N 4.80 -3.67 -2.01 3.32 8.00 -1.26 -2.12 116.55 123.61 1iwe n ASP 76 Ca -0.16 -0.59 -0.15 0.00 0.71 0.00 0.00 54.79 54.61 1iwe n ASP 76 Cb 0.49 -4.70 -0.03 0.00 -0.02 0.00 0.00 41.12 36.86 1iwe n ASP 76 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iwe n GLY 77 N -1.17 0.30 3.22 0.44 0.00 -1.26 -4.93 105.19 101.78 1iwe n GLY 77 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 1iwe n GLY 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1iwe s LYS 78 N -4.29 2.32 -0.12 1.61 2.20 -0.90 -5.13 119.74 115.43 1iwe s LYS 78 Ca 0.00 -0.80 -0.01 0.00 -0.36 0.00 0.00 55.97 54.80 1iwe s LYS 78 Cb 0.00 -1.97 -0.02 0.00 -1.51 0.00 0.00 37.83 34.33 1iwe s LYS 78 CO 0.00 0.32 -0.10 -1.21 -0.36 0.00 0.00 175.35 174.00 1iwe s GLU 79 N -0.06 3.31 -0.07 4.03 2.02 -1.26 -0.25 118.70 126.42 1iwe s GLU 79 Ca -0.05 -0.63 0.04 0.00 0.02 0.00 0.00 54.97 54.35 1iwe s GLU 79 Cb -0.13 -2.68 0.00 0.00 0.10 0.00 0.00 34.13 31.42 1iwe s GLU 79 CO 0.04 0.31 -0.19 0.71 0.02 0.00 0.00 175.26 176.15 1iwe s TYR 80 N 0.12 2.00 -0.33 1.61 2.02 0.48 -4.95 117.35 118.30 1iwe s TYR 80 Ca -0.04 -0.74 -0.12 0.00 -0.37 0.00 0.00 57.07 55.80 1iwe s TYR 80 Cb -0.14 -1.37 -0.01 0.00 -0.40 0.00 0.00 41.96 40.03 1iwe s TYR 80 CO 0.04 -0.31 0.21 -0.51 -1.57 0.00 0.00 175.55 173.41 1iwe s ASP 81 N 0.36 5.87 0.10 2.29 1.01 -1.26 -0.24 116.67 124.79 1iwe s ASP 81 Ca -0.14 -0.51 0.07 0.00 0.71 0.00 0.00 52.55 52.69 1iwe s ASP 81 Cb -0.16 -2.09 -0.04 0.00 1.01 0.00 0.00 42.92 41.65 1iwe s ASP 81 CO 0.05 -0.24 -0.10 -0.36 0.21 0.00 0.00 175.17 174.74 1iwe s PHE 82 N 1.67 2.75 0.17 4.23 0.08 0.38 -4.95 117.98 122.32 1iwe s PHE 82 Ca 0.05 -0.15 0.00 0.00 0.12 0.00 0.00 56.93 56.95 1iwe s PHE 82 Cb -0.17 -1.45 0.00 0.00 -0.57 0.00 0.00 43.02 40.83 1iwe s PHE 82 CO 0.09 0.42 0.00 0.72 -0.10 0.00 0.00 175.22 176.35 1iwe n HIS 83 N 0.77 -1.37 -0.07 0.36 8.25 -1.26 -0.02 115.22 121.88 1iwe n HIS 83 Ca -0.14 0.24 -0.04 0.00 -0.26 0.00 0.00 57.72 57.52 1iwe n HIS 83 Cb 0.52 0.43 -0.14 0.00 1.12 0.00 0.00 29.99 31.92 1iwe n HIS 83 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1iwe n LEU 84 N -3.22 0.00 -4.71 2.41 4.77 -1.26 -4.35 117.00 110.63 1iwe n LEU 84 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1iwe n LEU 84 Cb 0.04 0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1iwe n LEU 84 CO 0.00 0.34 0.86 -0.76 -1.33 0.00 0.00 177.39 176.49 1iwe s LEU 85 N -5.09 4.36 0.48 2.23 1.43 -1.26 -4.96 118.68 115.87 1iwe s LEU 85 Ca -0.08 1.93 -0.24 0.00 -1.03 0.00 0.00 54.13 54.70 1iwe s LEU 85 Cb 0.07 -3.57 -0.07 0.00 0.03 0.00 0.00 46.19 42.64 1iwe s LEU 85 CO 0.76 -0.45 1.40 -2.84 0.23 0.00 0.00 176.35 175.44 1iwe s PRO 86 N 1.19 3.54 0.58 1.29 0.02 -1.26 -4.84 135.00 135.53 1iwe s PRO 86 Ca 0.57 2.34 0.28 0.00 0.02 0.00 0.00 61.00 64.21 1iwe s PRO 86 Cb -0.27 -2.54 1.59 0.00 0.02 0.00 0.00 34.50 33.29 1iwe s PRO 86 CO 0.28 -0.90 2.07 0.77 -0.33 0.00 0.00 177.00 178.89 1iwe h SER 87 N 2.09 0.00 0.00 2.53 0.02 -1.93 -1.67 113.55 114.58 1iwe h SER 87 Ca -0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1iwe h SER 87 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1iwe h SER 87 CO 0.60 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.90 1iwe n GLY 88 N -1.45 -0.70 0.29 -3.77 0.00 -1.26 -3.13 105.19 95.17 1iwe n GLY 88 Ca 0.03 -0.04 0.18 0.00 0.00 0.00 0.00 46.02 46.19 1iwe n GLY 88 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1iwe h ILE 89 N 0.00 0.15 0.00 -0.61 6.09 -1.65 -0.92 117.51 120.56 1iwe h ILE 89 Ca 0.00 -0.39 -0.07 0.00 -1.37 0.00 0.00 64.86 63.03 1iwe h ILE 89 Cb 0.00 1.33 -0.01 0.00 0.47 0.00 0.00 36.82 38.61 1iwe h ILE 89 CO 0.00 0.04 -0.33 0.40 -3.07 0.00 0.00 178.15 175.19 1iwe h ILE 90 N 0.00 1.00 -3.65 2.19 1.08 -1.81 -3.40 117.51 112.91 1iwe h ILE 90 Ca -0.00 -1.23 -0.58 0.00 -0.39 0.00 0.00 64.86 62.67 1iwe h ILE 90 Cb 0.33 1.71 -0.09 0.00 -3.07 0.00 0.00 36.82 35.70 1iwe h ILE 90 CO 0.00 0.32 0.79 0.21 -0.69 0.00 0.00 178.15 178.78 1iwe s ASN 91 N -6.61 6.56 0.58 1.72 3.84 -0.35 -4.89 114.94 115.78 1iwe s ASN 91 Ca -0.02 0.28 0.36 0.00 0.21 0.00 0.00 52.86 53.69 1iwe s ASN 91 Cb 0.13 -2.51 1.60 0.00 -0.55 0.00 0.00 41.25 39.92 1iwe s ASN 91 CO 0.68 -1.19 2.07 0.71 -2.79 0.00 0.00 177.10 176.58 1iwe h THR 92 N 6.17 0.00 -0.00 -5.21 1.35 -1.84 -2.60 112.91 110.77 1iwe h THR 92 Ca -0.24 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1iwe h THR 92 Cb 1.07 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1iwe h THR 92 CO 1.09 0.00 -0.38 1.17 -0.25 0.00 0.00 175.52 177.15 1iwe n LYS 93 N -3.08 0.42 -4.13 4.72 0.00 -1.26 -4.90 118.16 109.92 1iwe n LYS 93 Ca -0.00 -0.24 -0.28 0.00 0.00 0.00 0.00 58.31 57.78 1iwe n LYS 93 Cb 0.25 -1.49 -0.07 0.00 0.00 0.00 0.00 35.03 33.72 1iwe n LYS 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1iwe s ALA 94 N -2.75 3.37 -0.23 3.14 0.00 -0.98 -4.93 121.76 119.39 1iwe s ALA 94 Ca 0.18 -1.19 -0.11 0.00 0.00 0.00 0.00 51.96 50.83 1iwe s ALA 94 Cb 0.18 -1.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.04 1iwe s ALA 94 CO 0.61 0.60 0.19 0.08 0.00 0.00 0.00 175.76 177.24 1iwe s VAL 95 N -1.54 5.34 -0.04 0.00 1.01 -0.30 -4.89 120.40 119.98 1iwe s VAL 95 Ca 0.28 0.26 -0.18 0.00 0.00 0.00 0.00 61.98 62.34 1iwe s VAL 95 Cb -0.11 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1iwe s VAL 95 CO 0.20 0.35 0.50 -0.44 0.00 0.00 0.00 175.10 175.70 1iwe s SER 96 N 0.94 6.83 -0.03 3.32 0.01 0.29 -1.67 113.70 123.38 1iwe s SER 96 Ca 0.09 0.98 0.03 0.00 1.31 0.00 0.00 55.95 58.37 1iwe s SER 96 Cb -0.13 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1iwe s SER 96 CO 0.04 0.14 -0.13 0.12 0.41 0.00 0.00 173.24 173.82 1iwe s PHE 97 N -0.19 1.29 -0.27 2.43 5.36 -0.05 -0.38 117.98 126.17 1iwe s PHE 97 Ca 0.27 -0.35 -0.06 0.00 -0.96 0.00 0.00 56.93 55.83 1iwe s PHE 97 Cb -0.17 -0.89 0.00 0.00 -0.34 0.00 0.00 43.02 41.62 1iwe s PHE 97 CO 0.14 -0.13 0.05 0.42 -1.46 0.00 0.00 175.22 174.24 1iwe s ILE 98 N 0.14 3.88 0.94 3.12 1.01 0.07 -0.01 121.20 130.35 1iwe s ILE 98 Ca -0.04 -0.59 -0.14 0.00 0.00 0.00 0.00 60.65 59.88 1iwe s ILE 98 Cb -0.10 -2.94 0.16 0.00 0.01 0.00 0.00 42.46 39.59 1iwe s ILE 98 CO 0.01 0.18 1.19 -0.83 0.00 0.00 0.00 174.94 175.49 1iwe s GLY 99 N 1.51 1.63 0.53 6.18 0.00 -0.58 -0.70 107.32 115.89 1iwe s GLY 99 Ca 0.04 -0.78 0.27 0.00 0.00 0.00 0.00 44.72 44.25 1iwe s GLY 99 CO 0.01 -0.14 2.09 3.45 0.00 0.00 0.00 173.10 178.52 1iwe h ASN 100 N -1.56 0.00 1.09 1.64 -1.07 -1.60 -2.82 115.58 111.25 1iwe h ASN 100 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.90 1iwe h ASN 100 Cb 1.30 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.55 1iwe h ASN 100 CO 0.53 0.10 0.00 0.61 0.07 0.00 0.00 177.43 178.75 1iwe n GLY 101 N -0.77 -1.48 3.82 9.14 0.00 -0.80 -3.93 105.19 111.17 1iwe n GLY 101 Ca -0.02 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1iwe n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iwe s VAL 102 N -3.11 4.32 -0.17 1.61 1.01 -1.06 -4.16 120.40 118.83 1iwe s VAL 102 Ca 0.10 1.38 -0.01 0.00 0.00 0.00 0.00 61.98 63.44 1iwe s VAL 102 Cb 0.13 -3.59 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 1iwe s VAL 102 CO 0.50 -0.38 -0.12 0.68 0.00 0.00 0.00 175.10 175.78 1iwe s VAL 103 N -2.24 2.92 -0.16 2.92 -7.23 -0.95 -2.66 120.40 113.00 1iwe s VAL 103 Ca 0.62 -0.68 -0.04 0.00 -1.81 0.00 0.00 61.98 60.08 1iwe s VAL 103 Cb -0.10 -2.26 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 1iwe s VAL 103 CO 0.18 0.49 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.80 1iwe s ILE 104 N 0.94 3.97 -0.46 -0.62 -1.09 0.24 -4.32 121.20 119.87 1iwe s ILE 104 Ca -0.02 -0.33 -0.11 0.00 -2.23 0.00 0.00 60.65 57.96 1iwe s ILE 104 Cb -0.15 -2.75 0.10 0.00 -1.58 0.00 0.00 42.46 38.08 1iwe s ILE 104 CO -0.01 0.49 0.33 -2.28 -1.23 0.00 0.00 174.94 172.24 1iwe s HIS 105 N 0.36 3.35 0.16 3.97 5.65 -1.26 0.82 115.29 128.33 1iwe s HIS 105 Ca -0.04 -1.54 -0.23 0.00 0.25 0.00 0.00 55.06 53.51 1iwe s HIS 105 Cb -0.14 -3.25 0.04 0.00 -1.18 0.00 0.00 32.58 28.06 1iwe s HIS 105 CO 0.03 -0.91 1.61 -0.07 -0.65 0.00 0.00 174.74 174.75 1iwe h LEU 106 N 8.52 -1.01 -0.83 8.88 3.38 -1.98 0.22 115.31 132.48 1iwe h LEU 106 Ca -0.24 0.18 0.08 0.00 0.09 0.00 0.00 57.88 57.99 1iwe h LEU 106 Cb 1.09 0.47 -0.07 0.00 0.09 0.00 0.00 40.66 42.24 1iwe h LEU 106 CO 0.84 -0.32 0.49 -0.65 0.09 0.00 0.00 178.44 178.88 1iwe h PRO 107 N -0.27 0.82 -0.55 1.13 0.11 -1.94 -1.97 132.00 129.33 1iwe h PRO 107 Ca 0.16 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.16 1iwe h PRO 107 Cb 0.53 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 1iwe h PRO 107 CO -0.49 0.54 0.11 0.78 -0.21 0.00 0.00 178.00 178.74 1iwe h GLY 108 N 0.85 0.97 0.26 -0.55 0.00 -1.72 -1.44 103.07 101.44 1iwe h GLY 108 Ca 0.38 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1iwe h GLY 108 CO -0.22 0.59 -0.53 -2.00 0.00 0.00 0.00 176.54 174.38 1iwe h LEU 109 N 0.80 -1.54 -1.63 3.11 5.85 0.15 0.23 115.31 122.28 1iwe h LEU 109 Ca 0.17 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 59.00 1iwe h LEU 109 Cb 0.38 0.55 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1iwe h LEU 109 CO 0.01 -0.60 -0.20 -0.26 -0.34 0.00 0.00 178.44 177.04 1iwe h PHE 110 N -0.86 0.00 -0.29 1.25 -1.00 -1.48 -1.15 116.94 113.42 1iwe h PHE 110 Ca -0.03 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.73 1iwe h PHE 110 Cb 0.81 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.36 1iwe h PHE 110 CO -0.39 0.20 0.09 1.49 -1.61 0.00 0.00 178.31 178.09 1iwe h GLU 111 N 0.00 0.45 -0.00 1.51 4.81 -0.54 0.09 114.58 120.90 1iwe h GLU 111 Ca -0.00 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1iwe h GLU 111 Cb 0.37 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1iwe h GLU 111 CO 0.03 0.51 0.00 1.49 -0.73 0.00 0.00 179.01 180.31 1iwe h GLU 112 N 0.31 0.00 0.18 1.92 4.81 0.21 -1.57 114.58 120.44 1iwe h GLU 112 Ca 0.09 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1iwe h GLU 112 Cb 0.25 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1iwe h GLU 112 CO -0.00 0.05 -0.14 0.00 -0.73 0.00 0.00 179.01 178.19 1iwe h ALA 113 N 0.95 -0.30 -0.73 2.92 0.00 -1.09 -2.31 119.26 118.69 1iwe h ALA 113 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1iwe h ALA 113 Cb 0.05 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1iwe h ALA 113 CO -0.00 -0.68 0.47 0.93 0.00 0.00 0.00 179.25 179.97 1iwe h GLU 114 N -0.32 0.97 -0.78 0.00 5.08 -0.96 0.70 114.58 119.28 1iwe h GLU 114 Ca -0.01 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1iwe h GLU 114 Cb 0.29 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1iwe h GLU 114 CO -0.01 0.65 0.52 -0.22 -1.00 0.00 0.00 179.01 178.95 1iwe h LYS 115 N 1.00 1.00 0.00 2.33 3.64 -1.01 -1.68 116.57 121.84 1iwe h LYS 115 Ca 0.27 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1iwe h LYS 115 Cb -0.10 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.50 1iwe h LYS 115 CO -0.06 0.66 -0.38 -0.91 -2.27 0.00 0.00 179.45 176.50 1iwe h ASN 116 N 1.03 0.00 -0.52 4.20 2.35 -0.62 -3.25 115.58 118.76 1iwe h ASN 116 Ca 0.29 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.95 1iwe h ASN 116 Cb -0.07 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1iwe h ASN 116 CO -0.07 0.01 -0.02 -0.33 -1.65 0.00 0.00 177.43 175.37 1iwe h GLU 117 N 0.00 0.94 0.00 0.81 5.08 0.02 -1.27 114.58 120.15 1iwe h GLU 117 Ca 0.00 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1iwe h GLU 117 Cb 0.97 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1iwe h GLU 117 CO 0.00 0.96 0.15 0.87 -1.00 0.00 0.00 179.01 179.99 1iwe h LYS 118 N 0.81 0.00 -0.42 2.33 1.57 -1.51 0.25 116.57 119.60 1iwe h LYS 118 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1iwe h LYS 118 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1iwe h LYS 118 CO 0.03 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.54 1iwe n LYS 119 N -2.87 2.47 0.00 3.15 5.02 -0.60 -4.95 118.16 120.38 1iwe n LYS 119 Ca -0.02 -2.28 0.00 0.00 -2.02 0.00 0.00 58.31 53.99 1iwe n LYS 119 Cb 0.20 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1iwe n LYS 119 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iwe n GLY 120 N 1.40 1.58 3.65 0.72 0.00 0.88 -5.06 105.19 108.37 1iwe n GLY 120 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1iwe n GLY 120 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iwe s LEU 121 N 0.00 4.26 0.05 0.99 2.96 -0.58 -4.95 118.68 121.40 1iwe s LEU 121 Ca 0.00 2.53 0.05 0.00 -0.22 0.00 0.00 54.13 56.49 1iwe s LEU 121 Cb 0.00 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.14 1iwe s LEU 121 CO 0.00 -1.22 -0.14 -1.59 -1.32 0.00 0.00 176.35 172.08 1iwe s LYS 122 N 4.80 0.91 -1.57 1.98 0.00 -1.26 -4.23 119.74 120.37 1iwe s LYS 122 Ca 0.90 -0.81 0.00 0.00 0.00 0.00 0.00 55.97 56.07 1iwe s LYS 122 Cb -0.41 -0.92 0.00 0.00 0.00 0.00 0.00 37.83 36.50 1iwe s LYS 122 CO 0.40 0.22 0.00 -0.25 0.00 0.00 0.00 175.35 175.72 1iwe n ASP 123 N 1.74 -5.29 -0.22 0.03 8.00 -1.26 -4.89 116.55 114.66 1iwe n ASP 123 Ca -0.19 0.06 -0.08 0.00 0.71 0.00 0.00 54.79 55.29 1iwe n ASP 123 Cb 0.55 -4.43 0.03 0.00 -0.02 0.00 0.00 41.12 37.24 1iwe n ASP 123 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 1iwe h TRP 124 N 0.00 1.07 -0.02 1.24 5.08 -1.93 -2.62 115.95 118.77 1iwe h TRP 124 Ca -0.43 -0.14 0.01 0.00 1.08 0.00 0.00 58.89 59.41 1iwe h TRP 124 Cb 1.32 -0.30 -0.00 0.00 -3.00 0.00 0.00 29.16 27.18 1iwe h TRP 124 CO 0.60 0.91 0.07 1.05 -1.28 0.00 0.00 178.44 179.78 1iwe h GLU 125 N 0.92 0.00 -0.01 0.12 9.09 -1.93 0.20 114.58 122.97 1iwe h GLU 125 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.60 1iwe h GLU 125 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 1iwe h GLU 125 CO 0.01 0.00 -0.08 1.63 0.05 0.00 0.00 179.01 180.62 1iwe n LYS 126 N -3.30 0.96 -0.37 1.06 5.02 -0.99 -3.84 118.16 116.71 1iwe n LYS 126 Ca -0.02 -0.37 0.02 0.00 -2.02 0.00 0.00 58.31 55.92 1iwe n LYS 126 Cb 0.14 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.69 1iwe n LYS 126 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1iwe n ARG 127 N -0.70 0.35 -4.60 1.97 1.85 0.02 -5.04 116.66 110.52 1iwe n ARG 127 Ca 0.17 -1.38 -0.33 0.00 -1.00 0.00 0.00 57.85 55.30 1iwe n ARG 127 Cb 0.27 -0.75 -0.15 0.00 -1.05 0.00 0.00 32.46 30.78 1iwe n ARG 127 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1iwe s LEU 128 N -0.73 2.63 -0.04 2.89 2.96 -1.00 -0.55 118.68 124.85 1iwe s LEU 128 Ca 0.08 -0.39 0.07 0.00 -0.22 0.00 0.00 54.13 53.67 1iwe s LEU 128 Cb 0.07 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 1iwe s LEU 128 CO 0.01 0.12 -0.25 -0.63 -1.32 0.00 0.00 176.35 174.27 1iwe s ILE 129 N 0.64 2.06 -0.11 6.68 1.01 0.49 -4.70 121.20 127.26 1iwe s ILE 129 Ca -0.07 -1.08 0.03 0.00 0.00 0.00 0.00 60.65 59.53 1iwe s ILE 129 Cb -0.16 -1.73 0.01 0.00 0.01 0.00 0.00 42.46 40.59 1iwe s ILE 129 CO 0.03 0.57 -0.21 -0.63 0.00 0.00 0.00 174.94 174.70 1iwe s ILE 130 N -0.34 1.91 0.15 2.92 1.01 0.09 -0.75 121.20 126.18 1iwe s ILE 130 Ca 0.02 -0.91 -0.31 0.00 0.00 0.00 0.00 60.65 59.44 1iwe s ILE 130 Cb -0.12 -1.67 -0.10 0.00 0.01 0.00 0.00 42.46 40.58 1iwe s ILE 130 CO 0.02 0.52 1.55 -0.55 0.00 0.00 0.00 174.94 176.48 1iwe s SER 131 N 0.61 6.62 0.00 3.58 0.15 0.12 -1.88 113.70 122.90 1iwe s SER 131 Ca -0.13 2.57 0.15 0.00 0.70 0.00 0.00 55.95 59.24 1iwe s SER 131 Cb -0.17 -2.59 0.89 0.00 -1.71 0.00 0.00 66.02 62.44 1iwe s SER 131 CO 0.03 -0.81 1.30 -0.90 1.20 0.00 0.00 173.24 174.07 1iwe n ASP 132 N 4.10 0.00 -0.86 5.45 3.85 -0.28 -2.35 116.55 126.46 1iwe n ASP 132 Ca 0.14 -0.51 0.12 0.00 -0.71 0.00 0.00 54.79 53.83 1iwe n ASP 132 Cb 0.39 0.00 0.12 0.00 -1.35 0.00 0.00 41.12 40.28 1iwe n ASP 132 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1iwe n ARG 133 N -0.98 2.13 -2.19 0.11 1.74 -1.26 -1.25 116.66 114.96 1iwe n ARG 133 Ca 0.11 -1.74 -0.40 0.00 -0.77 0.00 0.00 57.85 55.05 1iwe n ARG 133 Cb 0.05 -1.46 -0.02 0.00 -1.02 0.00 0.00 32.46 30.00 1iwe n ARG 133 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iwe s ALA 134 N -2.06 3.46 0.48 7.54 0.00 -0.99 -4.80 121.76 125.39 1iwe s ALA 134 Ca 0.28 1.18 -0.12 0.00 0.00 0.00 0.00 51.96 53.30 1iwe s ALA 134 Cb 0.20 -3.45 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 1iwe s ALA 134 CO 0.34 -0.55 0.88 -1.01 0.00 0.00 0.00 175.76 175.42 1iwe s HIS 135 N -1.16 3.51 -0.17 0.00 3.76 -1.09 -1.10 115.29 119.04 1iwe s HIS 135 Ca 0.49 1.17 -0.10 0.00 -0.15 0.00 0.00 55.06 56.47 1iwe s HIS 135 Cb -0.38 -2.57 -0.05 0.00 1.11 0.00 0.00 32.58 30.69 1iwe s HIS 135 CO 0.50 -0.30 0.15 -0.51 -0.85 0.00 0.00 174.74 173.73 1iwe s LEU 136 N -4.26 4.27 -0.33 0.89 1.43 -0.17 -0.59 118.68 119.90 1iwe s LEU 136 Ca 0.54 0.33 -0.18 0.00 -1.03 0.00 0.00 54.13 53.79 1iwe s LEU 136 Cb -0.10 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 1iwe s LEU 136 CO 0.37 0.24 0.53 -0.69 0.23 0.00 0.00 176.35 177.02 1iwe s VAL 137 N -0.02 5.01 0.53 -1.59 1.01 0.24 -4.72 120.40 120.86 1iwe s VAL 137 Ca 0.11 0.46 -0.01 0.00 0.00 0.00 0.00 61.98 62.54 1iwe s VAL 137 Cb -0.12 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.33 1iwe s VAL 137 CO 0.00 -0.17 0.77 -0.36 0.00 0.00 0.00 175.10 175.35 1iwe s PHE 138 N 2.41 3.09 0.25 5.22 0.08 -1.26 -4.27 117.98 123.50 1iwe s PHE 138 Ca 0.20 0.25 -0.05 0.00 0.12 0.00 0.00 56.93 57.44 1iwe s PHE 138 Cb -0.15 -2.60 0.31 0.00 -0.57 0.00 0.00 43.02 40.01 1iwe s PHE 138 CO 0.13 -0.69 1.89 -0.44 -0.10 0.00 0.00 175.22 176.01 1iwe h ASP 139 N 0.11 1.03 0.84 1.36 3.32 -1.99 -1.74 116.42 119.35 1iwe h ASP 139 Ca -0.45 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.56 1iwe h ASP 139 Cb 1.27 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 1iwe h ASP 139 CO 0.57 0.70 -0.19 2.19 -1.72 0.00 0.00 179.24 180.79 1iwe h PHE 140 N 1.20 0.00 -0.70 4.55 -5.15 -1.94 -2.00 116.94 112.89 1iwe h PHE 140 Ca 0.38 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 58.08 1iwe h PHE 140 Cb 0.02 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.16 1iwe h PHE 140 CO -0.01 0.19 0.16 0.45 -2.00 0.00 0.00 178.31 177.09 1iwe h HIS 141 N 0.00 1.19 -0.51 6.09 3.86 -1.68 0.78 115.15 124.88 1iwe h HIS 141 Ca -0.00 -0.15 -0.12 0.00 -1.16 0.00 0.00 60.37 58.94 1iwe h HIS 141 Cb 0.66 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 1iwe h HIS 141 CO 0.00 0.97 -0.16 1.96 0.86 0.00 0.00 177.93 181.56 1iwe h GLN 142 N 1.07 1.00 -0.34 2.45 4.20 -1.17 -2.06 115.11 120.26 1iwe h GLN 142 Ca 0.22 -0.40 -0.08 0.00 0.06 0.00 0.00 58.65 58.45 1iwe h GLN 142 Cb 0.39 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1iwe h GLN 142 CO 0.00 1.08 -0.10 0.00 -0.67 0.00 0.00 178.83 179.15 1iwe h ALA 143 N 0.89 0.48 -0.76 3.87 0.00 -1.06 -2.54 119.26 120.15 1iwe h ALA 143 Ca 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1iwe h ALA 143 Cb 0.73 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1iwe h ALA 143 CO 0.06 0.34 0.40 0.28 0.00 0.00 0.00 179.25 180.33 1iwe h VAL 144 N 0.46 1.23 -0.24 0.00 2.07 -0.82 0.18 116.25 119.13 1iwe h VAL 144 Ca 0.08 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 67.06 1iwe h VAL 144 Cb 0.61 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1iwe h VAL 144 CO 0.04 0.26 -0.01 -0.78 0.02 0.00 0.00 177.57 177.10 1iwe h ASP 145 N 1.07 -0.12 -0.55 0.57 3.58 -1.14 0.41 116.42 120.24 1iwe h ASP 145 Ca 0.27 0.06 -0.10 0.00 0.42 0.00 0.00 57.03 57.67 1iwe h ASP 145 Cb 0.05 0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 1iwe h ASP 145 CO -0.04 -0.03 -0.07 1.23 -2.88 0.00 0.00 179.24 177.45 1iwe h GLY 146 N 0.06 1.10 0.95 -0.78 0.00 -0.99 -2.24 103.07 101.17 1iwe h GLY 146 Ca 0.11 -0.86 0.01 0.00 0.00 0.00 0.00 47.33 46.59 1iwe h GLY 146 CO -0.20 0.79 0.11 -2.00 0.00 0.00 0.00 176.54 175.23 1iwe h LEU 147 N 0.90 0.18 -1.32 3.11 5.85 0.16 0.41 115.31 124.59 1iwe h LEU 147 Ca 0.15 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 1iwe h LEU 147 Cb 0.63 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1iwe h LEU 147 CO 0.04 0.13 -0.01 1.56 -0.34 0.00 0.00 178.44 179.83 1iwe h GLN 148 N 0.23 0.44 -0.05 1.25 4.20 -0.16 -0.40 115.11 120.63 1iwe h GLN 148 Ca 0.08 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1iwe h GLN 148 Cb 0.00 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 1iwe h GLN 148 CO -0.04 0.48 -0.02 1.49 -0.67 0.00 0.00 178.83 180.07 1iwe h GLU 149 N 0.43 0.09 -0.71 1.46 4.57 -0.84 -0.75 114.58 118.83 1iwe h GLU 149 Ca 0.09 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.26 1iwe h GLU 149 Cb 0.30 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.84 1iwe h GLU 149 CO 0.01 0.47 0.47 0.28 -1.18 0.00 0.00 179.01 179.06 1iwe h VAL 150 N -0.28 1.13 0.47 0.32 2.07 -0.62 -0.08 116.25 119.25 1iwe h VAL 150 Ca 0.01 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1iwe h VAL 150 Cb 0.44 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1iwe h VAL 150 CO 0.01 0.16 -0.22 -0.61 0.02 0.00 0.00 177.57 176.92 1iwe h GLN 151 N 0.89 -0.61 0.00 1.57 4.15 -0.87 -1.25 115.11 118.99 1iwe h GLN 151 Ca 0.28 0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.72 1iwe h GLN 151 Cb 0.01 0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.84 1iwe h GLN 151 CO -0.07 -0.35 -0.09 0.00 -1.93 0.00 0.00 178.83 176.38 1iwe h ARG 152 N -0.73 0.00 0.00 1.69 3.08 -0.68 0.38 114.38 118.12 1iwe h ARG 152 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1iwe h ARG 152 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1iwe h ARG 152 CO 0.11 0.09 -0.57 0.37 -1.07 0.00 0.00 179.97 178.90 1iwe h GLN 153 N 0.00 0.00 0.00 0.04 5.75 -0.82 -2.60 115.11 117.48 1iwe h GLN 153 Ca -0.00 0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 58.15 1iwe h GLN 153 Cb 0.22 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.71 1iwe h GLN 153 CO 0.01 0.00 -2.24 0.00 -2.65 0.00 0.00 178.83 173.95 1iwe n ALA 154 N -2.10 1.49 -0.09 3.38 0.00 -0.49 -3.13 120.51 119.57 1iwe n ALA 154 Ca 0.02 -1.19 -0.17 0.00 0.00 0.00 0.00 53.44 52.10 1iwe n ALA 154 Cb 0.53 -0.33 -0.10 0.00 0.00 0.00 0.00 19.45 19.55 1iwe n ALA 154 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1iwe h GLN 155 N 0.00 0.00 -0.01 0.00 1.08 -1.08 -3.39 115.11 111.72 1iwe h GLN 155 Ca -0.49 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 1iwe h GLN 155 Cb 2.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.61 1iwe h GLN 155 CO 0.04 0.80 -0.60 0.39 -0.95 0.00 0.00 178.83 178.51 1iwe n GLU 156 N -4.50 0.48 -1.77 1.46 1.02 -1.00 -4.95 120.64 111.37 1iwe n GLU 156 Ca -0.24 -0.35 -0.14 0.00 -0.02 0.00 0.00 57.16 56.40 1iwe n GLU 156 Cb 0.57 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.46 1iwe n GLU 156 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iwe n GLY 157 N 1.45 0.76 3.44 0.62 0.00 -1.11 -4.96 105.19 105.39 1iwe n GLY 157 Ca 0.07 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.78 1iwe n GLY 157 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1iwe s LYS 158 N -3.84 0.36 0.00 1.61 2.20 -1.06 -4.95 119.74 114.06 1iwe s LYS 158 Ca 0.00 0.88 0.00 0.00 -0.36 0.00 0.00 55.97 56.49 1iwe s LYS 158 Cb 0.00 0.53 0.00 0.00 -1.51 0.00 0.00 37.83 36.85 1iwe s LYS 158 CO 0.00 -0.14 0.00 0.27 -0.36 0.00 0.00 175.35 175.12 1iwe n ASN 159 N 5.11 1.12 0.01 1.43 0.23 -1.26 -4.37 115.26 117.52 1iwe n ASN 159 Ca -0.09 -0.42 -0.07 0.00 -0.53 0.00 0.00 54.58 53.47 1iwe n ASN 159 Cb 0.52 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.10 1iwe n ASN 159 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 1iwe h ILE 160 N 0.23 0.98 -0.69 1.53 2.04 -1.95 -3.44 117.51 116.22 1iwe h ILE 160 Ca 0.00 -2.73 0.00 0.00 1.00 0.00 0.00 64.86 63.13 1iwe h ILE 160 Cb 0.00 2.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 1iwe h ILE 160 CO 0.00 0.56 0.00 0.61 0.00 0.00 0.00 178.15 179.32 1iwe n GLY 161 N 1.48 0.89 3.68 5.37 0.00 -1.26 -2.16 105.19 113.18 1iwe n GLY 161 Ca -0.12 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 1iwe n GLY 161 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iwe s THR 162 N -2.69 2.53 -2.16 2.61 2.01 -1.26 -4.61 115.64 112.07 1iwe s THR 162 Ca 0.00 0.17 0.27 0.00 0.31 0.00 0.00 61.69 62.44 1iwe s THR 162 Cb 0.00 -2.45 0.70 0.00 0.01 0.00 0.00 72.50 70.76 1iwe s THR 162 CO 0.00 -0.22 1.94 0.35 -0.69 0.00 0.00 174.62 175.99 1iwe n THR 163 N -4.07 0.02 -2.64 -0.82 -2.24 -1.26 -4.90 114.28 98.36 1iwe n THR 163 Ca 0.08 -0.10 -0.20 0.00 -2.27 0.00 0.00 64.05 61.56 1iwe n THR 163 Cb 0.54 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1iwe n THR 163 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1iwe n LYS 164 N -0.52 -2.79 -0.25 -0.78 5.02 -1.26 -4.86 118.16 112.71 1iwe n LYS 164 Ca 0.20 0.88 0.11 0.00 -2.02 0.00 0.00 58.31 57.47 1iwe n LYS 164 Cb 0.19 -5.59 0.27 0.00 -0.02 0.00 0.00 35.03 29.88 1iwe n LYS 164 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1iwe n LYS 165 N -3.31 2.37 -1.14 1.97 4.76 -1.26 -4.72 118.16 116.84 1iwe n LYS 165 Ca -0.18 -2.11 -0.05 0.00 -2.87 0.00 0.00 58.31 53.10 1iwe n LYS 165 Cb 0.65 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 32.34 1iwe n LYS 165 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1iwe n GLY 166 N 1.45 0.72 0.25 0.72 0.00 -1.26 -4.55 105.19 102.53 1iwe n GLY 166 Ca 0.20 -0.45 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 1iwe n GLY 166 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1iwe h ILE 167 N 0.00 0.57 -0.00 -0.61 1.08 -1.92 -1.88 117.51 114.75 1iwe h ILE 167 Ca -0.10 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.40 1iwe h ILE 167 Cb 0.43 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 34.71 1iwe h ILE 167 CO 0.14 0.00 -0.20 1.23 -0.69 0.00 0.00 178.15 178.63 1iwe h GLY 168 N -0.58 -0.27 0.79 5.37 0.00 -1.95 -1.53 103.07 104.91 1iwe h GLY 168 Ca -0.06 0.23 0.08 0.00 0.00 0.00 0.00 47.33 47.59 1iwe h GLY 168 CO 0.09 -0.18 0.57 -2.55 0.00 0.00 0.00 176.54 174.47 1iwe h PRO 169 N -0.31 0.90 -0.59 4.80 0.11 -1.84 -0.35 132.00 134.71 1iwe h PRO 169 Ca 0.06 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.06 1iwe h PRO 169 Cb 0.39 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 1iwe h PRO 169 CO -0.19 0.59 0.14 1.15 -0.21 0.00 0.00 178.00 179.48 1iwe h THR 170 N 0.93 1.25 0.00 -1.15 2.02 -0.83 -1.17 112.91 113.95 1iwe h THR 170 Ca 0.40 -0.92 -0.08 0.00 0.77 0.00 0.00 66.41 66.58 1iwe h THR 170 Cb 0.32 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1iwe h THR 170 CO -0.16 0.34 -0.38 1.88 0.37 0.00 0.00 175.52 177.57 1iwe h TYR 171 N 0.86 0.00 -0.22 3.16 0.05 -0.49 -1.22 116.97 119.12 1iwe h TYR 171 Ca 0.18 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.88 1iwe h TYR 171 Cb 0.36 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.10 1iwe h TYR 171 CO 0.03 0.38 -0.20 0.77 -1.05 0.00 0.00 178.16 178.09 1iwe h SER 172 N 0.00 0.55 -0.84 3.88 0.02 -0.61 -1.49 113.55 115.05 1iwe h SER 172 Ca -0.00 -0.47 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1iwe h SER 172 Cb 0.87 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.22 1iwe h SER 172 CO 0.05 0.90 0.51 0.28 -1.14 0.00 0.00 176.83 177.43 1iwe h SER 173 N 0.20 1.01 -0.04 3.07 0.02 -1.02 0.62 113.55 117.41 1iwe h SER 173 Ca 0.04 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1iwe h SER 173 Cb 0.74 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 1iwe h SER 173 CO 0.05 0.78 0.03 0.50 -1.14 0.00 0.00 176.83 177.05 1iwe h LYS 174 N 1.16 0.06 -0.18 3.45 3.64 -1.02 0.14 116.57 123.82 1iwe h LYS 174 Ca 0.30 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1iwe h LYS 174 Cb -0.05 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1iwe h LYS 174 CO -0.06 0.06 -0.02 0.00 -2.27 0.00 0.00 179.45 177.17 1iwe h ALA 175 N 0.99 1.64 0.00 5.00 0.00 -0.77 -0.03 119.26 126.10 1iwe h ALA 175 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1iwe h ALA 175 Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1iwe h ALA 175 CO -0.00 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1iwe n ALA 176 N -2.50 2.17 -1.76 0.00 0.00 0.16 -4.89 120.51 113.69 1iwe n ALA 176 Ca -0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.27 1iwe n ALA 176 Cb 0.19 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.14 1iwe n ALA 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1iwe n ARG 177 N -2.21 -1.19 -0.03 0.00 3.00 0.41 -4.83 116.66 111.81 1iwe n ARG 177 Ca 0.05 0.97 0.07 0.00 -0.01 0.00 0.00 57.85 58.94 1iwe n ARG 177 Cb 0.39 -5.24 -0.17 0.00 0.00 0.00 0.00 32.46 27.44 1iwe n ARG 177 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1iwe n THR 178 N -3.04 0.24 -0.63 0.55 -1.04 -0.73 -4.98 114.28 104.65 1iwe n THR 178 Ca -0.17 -0.56 -0.30 0.00 -2.04 0.00 0.00 64.05 60.98 1iwe n THR 178 Cb 0.57 -0.08 0.19 0.00 -1.82 0.00 0.00 70.33 69.20 1iwe n THR 178 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1iwe s GLY 179 N -4.67 1.66 0.13 3.41 0.00 -0.89 -4.88 107.32 102.08 1iwe s GLY 179 Ca -0.08 0.45 0.09 0.00 0.00 0.00 0.00 44.72 45.17 1iwe s GLY 179 CO 0.89 0.94 -0.16 1.08 0.00 0.00 0.00 173.10 175.85 1iwe s LEU 180 N -6.79 2.78 0.43 0.66 1.43 -1.26 -4.94 118.68 110.99 1iwe s LEU 180 Ca 0.67 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 53.29 1iwe s LEU 180 Cb -0.24 -1.59 -0.06 0.00 0.03 0.00 0.00 46.19 44.34 1iwe s LEU 180 CO 0.60 0.16 0.11 -0.13 0.23 0.00 0.00 176.35 177.32 1iwe s ARG 181 N -2.30 2.12 0.22 1.70 0.52 -1.26 -1.00 118.95 118.95 1iwe s ARG 181 Ca 0.20 -2.00 -0.08 0.00 -0.52 0.00 0.00 55.73 53.33 1iwe s ARG 181 Cb -0.10 -1.82 0.36 0.00 0.52 0.00 0.00 34.95 33.91 1iwe s ARG 181 CO 0.11 -0.13 1.70 0.82 0.02 0.00 0.00 175.30 177.82 1iwe h ILE 182 N 1.52 0.60 -0.06 1.52 1.08 -1.20 0.71 117.51 121.68 1iwe h ILE 182 Ca -0.43 -0.10 -0.03 0.00 -0.39 0.00 0.00 64.86 63.92 1iwe h ILE 182 Cb 1.25 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 1iwe h ILE 182 CO 0.74 0.05 -0.09 0.00 -0.69 0.00 0.00 178.15 178.16 1iwe h ASP 184 N 0.09 0.30 -0.55 0.00 5.19 -1.17 -2.15 116.42 118.13 1iwe h ASP 184 Ca 0.02 -0.31 0.07 0.00 -0.62 0.00 0.00 57.03 56.19 1iwe h ASP 184 Cb 0.22 -0.08 -0.06 0.00 0.18 0.00 0.00 39.33 39.59 1iwe h ASP 184 CO 0.01 0.53 0.23 0.25 -3.12 0.00 0.00 179.24 177.15 1iwe h LEU 185 N 0.05 0.28 -0.05 1.55 6.46 -0.70 -1.44 115.31 121.47 1iwe h LEU 185 Ca 0.05 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1iwe h LEU 185 Cb 0.38 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.33 1iwe h LEU 185 CO 0.01 0.19 -0.00 0.18 -0.62 0.00 0.00 178.44 178.19 1iwe n LEU 186 N -4.95 0.08 0.00 2.25 4.32 -0.78 -4.76 117.00 113.17 1iwe n LEU 186 Ca 0.06 0.05 0.00 0.00 -0.02 0.00 0.00 56.01 56.10 1iwe n LEU 186 Cb 0.20 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 41.92 1iwe n LEU 186 CO 0.25 0.01 0.00 -0.24 -1.22 0.00 0.00 177.39 176.20 1iwe n SER 187 N -1.02 0.00 -4.68 -1.43 2.88 -0.54 -4.95 113.62 103.87 1iwe n SER 187 Ca 0.21 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.33 1iwe n SER 187 Cb 0.16 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.59 1iwe n SER 187 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1iwe n ASP 188 N 0.00 4.09 0.14 -3.46 2.03 -1.26 -4.87 116.55 113.23 1iwe n ASP 188 Ca 0.00 0.96 -0.01 0.00 0.52 0.00 0.00 54.79 56.27 1iwe n ASP 188 Cb 0.00 -1.54 0.18 0.00 -0.72 0.00 0.00 41.12 39.04 1iwe n ASP 188 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1iwe h PHE 189 N 9.10 0.00 -0.12 -0.67 3.57 -1.87 -0.55 116.94 126.39 1iwe h PHE 189 Ca -0.47 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.01 1iwe h PHE 189 Cb 1.23 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.96 1iwe h PHE 189 CO 0.83 0.60 -0.00 -0.44 -2.23 0.00 0.00 178.31 177.07 1iwe h ASP 190 N 0.00 0.22 -0.46 0.41 3.45 -1.98 0.63 116.42 118.68 1iwe h ASP 190 Ca -0.01 -0.32 -0.01 0.00 0.43 0.00 0.00 57.03 57.13 1iwe h ASP 190 Cb 1.08 -0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 39.77 1iwe h ASP 190 CO 0.08 0.48 0.26 -0.08 -1.57 0.00 0.00 179.24 178.41 1iwe h GLU 191 N -0.06 0.63 0.32 3.56 4.57 -1.94 -0.87 114.58 120.80 1iwe h GLU 191 Ca 0.03 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1iwe h GLU 191 Cb 0.38 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1iwe h GLU 191 CO 0.01 0.49 -0.24 0.35 -1.18 0.00 0.00 179.01 178.43 1iwe h PHE 192 N 0.61 -0.64 -0.72 0.92 3.57 -0.86 -1.15 116.94 118.66 1iwe h PHE 192 Ca 0.16 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.81 1iwe h PHE 192 Cb 0.03 0.24 -0.10 0.00 2.79 0.00 0.00 35.95 38.91 1iwe h PHE 192 CO -0.02 -0.37 0.20 0.77 -2.23 0.00 0.00 178.31 176.66 1iwe h SER 193 N -0.57 0.08 -0.79 0.41 0.02 0.51 0.39 113.55 113.61 1iwe h SER 193 Ca -0.02 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1iwe h SER 193 Cb 0.49 0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.16 1iwe h SER 193 CO -0.00 0.01 0.51 0.00 -1.14 0.00 0.00 176.83 176.20 1iwe h ALA 194 N 1.57 1.00 -0.27 3.77 0.00 -0.73 -0.31 119.26 124.29 1iwe h ALA 194 Ca 0.40 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 1iwe h ALA 194 Cb 0.65 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1iwe h ALA 194 CO -0.47 0.43 -0.21 0.00 0.00 0.00 0.00 179.25 179.01 1iwe h ARG 195 N 1.07 0.61 -0.48 0.00 3.08 0.28 -1.92 114.38 117.02 1iwe h ARG 195 Ca 0.29 -0.30 0.04 0.00 0.07 0.00 0.00 59.98 60.08 1iwe h ARG 195 Cb -0.09 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 1iwe h ARG 195 CO -0.06 0.90 0.23 0.35 -1.07 0.00 0.00 179.97 180.32 1iwe h PHE 196 N 0.34 0.42 -0.04 3.04 3.57 0.01 -0.14 116.94 124.15 1iwe h PHE 196 Ca 0.05 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1iwe h PHE 196 Cb 0.76 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 1iwe h PHE 196 CO 0.07 0.20 0.02 -0.22 -2.23 0.00 0.00 178.31 176.15 1iwe h LYS 197 N 0.45 0.05 -0.27 1.11 3.64 -1.01 0.30 116.57 120.85 1iwe h LYS 197 Ca 0.21 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.64 1iwe h LYS 197 Cb 0.14 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 1iwe h LYS 197 CO -0.16 0.07 -0.05 -0.91 -2.27 0.00 0.00 179.45 176.14 1iwe h ASN 198 N 0.02 -0.21 -0.30 4.20 2.35 -0.95 -0.31 115.58 120.38 1iwe h ASN 198 Ca 0.01 0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 1iwe h ASN 198 Cb 0.04 0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1iwe h ASN 198 CO -0.00 -0.07 0.11 0.25 -1.65 0.00 0.00 177.43 176.06 1iwe h LEU 199 N 0.02 0.48 -0.25 1.61 5.85 -0.77 -2.46 115.31 119.80 1iwe h LEU 199 Ca 0.13 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1iwe h LEU 199 Cb 0.19 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1iwe h LEU 199 CO -0.26 0.47 0.06 0.00 -0.34 0.00 0.00 178.44 178.38 1iwe h ALA 200 N 1.60 0.33 -0.56 1.25 0.00 0.99 -3.09 119.26 119.77 1iwe h ALA 200 Ca 0.13 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1iwe h ALA 200 Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1iwe h ALA 200 CO -0.01 -0.03 0.07 0.45 0.00 0.00 0.00 179.25 179.74 1iwe h HIS 201 N 0.23 0.96 -1.01 0.00 3.86 -0.82 -2.91 115.15 115.46 1iwe h HIS 201 Ca 0.08 -0.12 0.07 0.00 -1.16 0.00 0.00 60.37 59.23 1iwe h HIS 201 Cb 0.27 -0.27 -0.07 0.00 1.06 0.00 0.00 27.41 28.41 1iwe h HIS 201 CO 0.01 0.83 0.65 1.96 0.86 0.00 0.00 177.93 182.24 1iwe h GLN 202 N 0.86 1.14 0.00 2.45 4.20 -1.38 0.19 115.11 122.56 1iwe h GLN 202 Ca 0.17 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1iwe h GLN 202 Cb 0.41 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 1iwe h GLN 202 CO 0.01 0.75 -0.11 0.45 -0.67 0.00 0.00 178.83 179.26 1iwe h HIS 203 N 1.18 0.00 0.00 2.96 3.86 -1.45 -2.55 115.15 119.15 1iwe h HIS 203 Ca 0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.65 1iwe h HIS 203 Cb 0.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1iwe h HIS 203 CO -0.00 0.11 -0.12 1.04 0.86 0.00 0.00 177.93 179.82 1iwe n GLN 204 N -3.18 0.18 -0.00 2.45 6.02 -0.06 -2.12 117.38 120.67 1iwe n GLN 204 Ca 0.02 0.12 -0.19 0.00 -0.01 0.00 0.00 57.00 56.94 1iwe n GLN 204 Cb 0.46 -1.68 -0.14 0.00 1.02 0.00 0.00 30.24 29.90 1iwe n GLN 204 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1iwe h SER 205 N 0.00 0.29 0.49 1.08 0.02 -0.82 -2.52 113.55 112.10 1iwe h SER 205 Ca 0.00 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.04 1iwe h SER 205 Cb 0.66 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1iwe h SER 205 CO 0.00 1.35 -0.14 0.80 -1.14 0.00 0.00 176.83 177.70 1iwe n MET 206 N -4.23 0.47 -3.15 3.45 0.00 -1.19 -4.28 117.12 108.20 1iwe n MET 206 Ca -0.17 -0.16 -0.20 0.00 -0.00 0.00 0.00 57.70 57.18 1iwe n MET 206 Cb 0.74 -1.50 -0.05 0.00 0.00 0.00 0.00 33.22 32.41 1iwe n MET 206 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 1iwe n PHE 207 N -1.13 -1.62 0.13 1.12 3.72 -0.90 -5.02 117.46 113.77 1iwe n PHE 207 Ca 0.12 -2.82 0.16 0.00 -0.05 0.00 0.00 57.45 54.85 1iwe n PHE 207 Cb 0.30 0.49 0.71 0.00 -0.94 0.00 0.00 39.48 40.03 1iwe n PHE 207 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1iwe h PRO 208 N 4.90 0.00 -0.40 -1.08 0.13 -1.63 -1.88 132.00 132.04 1iwe h PRO 208 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1iwe h PRO 208 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1iwe h PRO 208 CO 0.32 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.34 1iwe n THR 209 N -4.27 0.51 -2.98 1.56 -2.24 -1.26 -4.84 114.28 100.75 1iwe n THR 209 Ca 0.04 -0.40 -0.41 0.00 -2.27 0.00 0.00 64.05 61.01 1iwe n THR 209 Cb 0.38 0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.61 1iwe n THR 209 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1iwe s LEU 210 N -1.00 4.17 -0.16 3.22 0.20 -0.71 -5.04 118.68 119.36 1iwe s LEU 210 Ca 0.19 1.05 -0.15 0.00 0.69 0.00 0.00 54.13 55.91 1iwe s LEU 210 Cb 0.11 -3.10 -0.04 0.00 -0.43 0.00 0.00 46.19 42.72 1iwe s LEU 210 CO 0.11 -0.34 0.36 -1.61 -0.29 0.00 0.00 176.35 174.58 1iwe s GLU 211 N 2.00 4.25 -0.22 1.98 2.02 -1.26 -4.90 118.70 122.57 1iwe s GLU 211 Ca 0.35 0.20 -0.03 0.00 0.02 0.00 0.00 54.97 55.51 1iwe s GLU 211 Cb -0.16 -3.46 0.07 0.00 0.10 0.00 0.00 34.13 30.68 1iwe s GLU 211 CO 0.12 0.14 0.06 0.42 0.02 0.00 0.00 175.26 176.02 1iwe s ILE 212 N 0.74 0.49 -1.22 -1.63 1.09 -1.26 -4.95 121.20 114.45 1iwe s ILE 212 Ca 0.19 -0.68 -0.19 0.00 -1.10 0.00 0.00 60.65 58.87 1iwe s ILE 212 Cb -0.14 -1.09 0.07 0.00 -1.06 0.00 0.00 42.46 40.24 1iwe s ILE 212 CO 0.06 -0.33 1.65 -0.62 -0.10 0.00 0.00 174.94 175.60 1iwe s ASP 213 N 1.86 6.77 0.19 3.58 3.68 -1.26 -4.81 116.67 126.68 1iwe s ASP 213 Ca 0.02 -2.23 -0.12 0.00 2.13 0.00 0.00 52.55 52.34 1iwe s ASP 213 Cb -0.17 -2.57 0.20 0.00 -1.45 0.00 0.00 42.92 38.93 1iwe s ASP 213 CO -0.13 -1.23 1.74 0.58 0.13 0.00 0.00 175.17 176.26 1iwe h VAL 214 N 5.82 0.81 -0.17 1.11 2.07 -1.99 -1.27 116.25 122.63 1iwe h VAL 214 Ca 0.38 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.77 1iwe h VAL 214 Cb 0.91 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1iwe h VAL 214 CO 1.44 0.07 0.07 -0.33 0.02 0.00 0.00 177.57 178.83 1iwe h GLU 215 N 0.36 0.25 -0.43 1.57 3.07 -2.00 -1.89 114.58 115.51 1iwe h GLU 215 Ca 0.26 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.07 1iwe h GLU 215 Cb 0.29 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 1iwe h GLU 215 CO -0.27 0.32 0.24 0.78 -1.40 0.00 0.00 179.01 178.69 1iwe h GLY 216 N 0.12 0.63 0.97 -3.84 0.00 -1.91 -0.83 103.07 98.22 1iwe h GLY 216 Ca 0.06 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 1iwe h GLY 216 CO -0.01 0.27 0.17 1.46 0.00 0.00 0.00 176.54 178.43 1iwe h GLN 217 N 0.56 0.78 -0.68 4.80 4.20 -1.21 -1.48 115.11 122.09 1iwe h GLN 217 Ca 0.15 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1iwe h GLN 217 Cb 0.03 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 1iwe h GLN 217 CO -0.03 0.71 0.28 -0.07 -0.67 0.00 0.00 178.83 179.05 1iwe h LEU 218 N 0.68 0.93 -0.14 1.46 3.38 -1.22 0.63 115.31 121.04 1iwe h LEU 218 Ca 0.16 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1iwe h LEU 218 Cb 0.25 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1iwe h LEU 218 CO -0.01 0.84 -0.00 0.50 0.09 0.00 0.00 178.44 179.86 1iwe h LYS 219 N 0.96 0.04 -0.60 1.13 1.63 -0.84 0.16 116.57 119.06 1iwe h LYS 219 Ca 0.23 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.01 1iwe h LYS 219 Cb 0.20 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.79 1iwe h LYS 219 CO -0.02 0.03 0.34 0.00 -3.45 0.00 0.00 179.45 176.35 1iwe h ARG 220 N 0.05 0.83 -0.90 1.90 -0.00 -1.00 -2.54 114.38 112.72 1iwe h ARG 220 Ca 0.06 -0.09 0.01 0.00 -0.50 0.00 0.00 59.98 59.46 1iwe h ARG 220 Cb 0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 29.97 29.83 1iwe h ARG 220 CO -0.11 0.63 0.59 -0.07 0.00 0.00 0.00 179.97 181.01 1iwe h LEU 221 N 0.81 1.02 -1.03 3.04 3.38 -0.36 -0.05 115.31 122.12 1iwe h LEU 221 Ca 0.21 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1iwe h LEU 221 Cb 0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1iwe h LEU 221 CO -0.04 0.73 0.05 0.50 0.09 0.00 0.00 178.44 179.77 1iwe h LYS 222 N 1.20 0.74 -0.55 1.13 3.64 -0.64 0.12 116.57 122.20 1iwe h LYS 222 Ca 0.33 -0.17 -0.10 0.00 -1.27 0.00 0.00 60.65 59.45 1iwe h LYS 222 Cb -0.11 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 1iwe h LYS 222 CO -0.08 0.72 -0.04 0.78 -2.27 0.00 0.00 179.45 178.56 1iwe h GLY 223 N 0.94 1.06 1.47 5.01 0.00 -0.85 -2.92 103.07 107.78 1iwe h GLY 223 Ca 0.15 -0.79 -0.09 0.00 0.00 0.00 0.00 47.33 46.59 1iwe h GLY 223 CO 0.01 0.73 -0.17 0.74 0.00 0.00 0.00 176.54 177.85 1iwe h PHE 224 N 0.90 0.69 -0.86 5.60 0.04 0.00 -3.07 116.94 120.24 1iwe h PHE 224 Ca 0.15 -0.13 0.17 0.00 2.80 0.00 0.00 57.97 60.96 1iwe h PHE 224 Cb 0.58 -0.18 -0.10 0.00 2.20 0.00 0.00 35.95 38.45 1iwe h PHE 224 CO 0.04 0.76 0.43 0.00 -0.60 0.00 0.00 178.31 178.93 1iwe h ALA 225 N 1.25 1.33 0.00 2.45 0.00 -0.61 -1.56 119.26 122.12 1iwe h ALA 225 Ca 0.09 0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.91 1iwe h ALA 225 Cb 0.61 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1iwe h ALA 225 CO 0.04 -0.15 -0.95 0.93 0.00 0.00 0.00 179.25 179.12 1iwe h GLU 226 N 0.57 0.00 0.00 0.00 4.39 -1.59 -1.19 114.58 116.76 1iwe h GLU 226 Ca 0.49 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.13 1iwe h GLU 226 Cb 0.76 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1iwe h GLU 226 CO -0.41 0.95 -0.27 0.00 -1.16 0.00 0.00 179.01 178.12 1iwe h ARG 227 N 0.00 0.00 0.00 2.33 3.08 -1.35 -3.26 114.38 115.19 1iwe h ARG 227 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1iwe h ARG 227 Cb 1.70 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.75 1iwe h ARG 227 CO 0.12 0.27 -1.97 -0.89 -1.07 0.00 0.00 179.97 176.44 1iwe n ILE 228 N -3.44 0.08 -0.19 2.04 5.41 -0.66 -4.63 119.36 117.98 1iwe n ILE 228 Ca 0.00 -0.49 -0.03 0.00 1.00 0.00 0.00 62.75 63.23 1iwe n ILE 228 Cb 0.46 -0.00 0.03 0.00 -0.71 0.00 0.00 39.64 39.42 1iwe n ILE 228 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1iwe h ARG 229 N 0.00 -0.09 0.00 0.38 2.43 -1.25 -0.43 114.38 115.42 1iwe h ARG 229 Ca -0.03 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1iwe h ARG 229 Cb 1.02 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1iwe h ARG 229 CO 0.00 -0.06 -0.01 -1.00 -1.51 0.00 0.00 179.97 177.39 1iwe h PRO 230 N -0.09 0.00 -0.01 0.20 0.13 -1.82 -2.43 132.00 127.98 1iwe h PRO 230 Ca 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 1iwe h PRO 230 Cb 0.50 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.63 1iwe h PRO 230 CO -0.63 0.01 -0.23 -1.33 -0.23 0.00 0.00 178.00 175.60 1iwe n MET 231 N -3.29 1.15 -3.37 0.86 2.81 -0.19 -4.94 117.12 110.16 1iwe n MET 231 Ca -0.02 -0.75 -0.37 0.00 -1.81 0.00 0.00 57.70 54.74 1iwe n MET 231 Cb 0.12 -1.48 -0.06 0.00 -0.71 0.00 0.00 33.22 31.08 1iwe n MET 231 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1iwe s VAL 232 N -2.37 4.86 0.13 2.03 1.01 -0.92 -0.73 120.40 124.42 1iwe s VAL 232 Ca 0.26 0.93 -0.09 0.00 0.00 0.00 0.00 61.98 63.09 1iwe s VAL 232 Cb 0.19 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 1iwe s VAL 232 CO 0.48 0.41 0.24 -0.13 0.00 0.00 0.00 175.10 176.09 1iwe s ARG 233 N -1.52 1.02 -0.33 2.72 1.81 -0.79 -4.91 118.95 116.94 1iwe s ARG 233 Ca 0.32 -1.09 -0.29 0.00 -1.72 0.00 0.00 55.73 52.95 1iwe s ARG 233 Cb -0.17 0.36 -0.00 0.00 -0.45 0.00 0.00 34.95 34.69 1iwe s ARG 233 CO 0.18 -0.35 1.50 0.34 -0.68 0.00 0.00 175.30 176.29 1iwe s ASP 234 N -2.93 6.33 0.18 0.23 2.15 -1.26 -1.12 116.67 120.25 1iwe s ASP 234 Ca 0.12 1.15 -0.13 0.00 0.43 0.00 0.00 52.55 54.13 1iwe s ASP 234 Cb 0.04 -2.54 0.09 0.00 -0.30 0.00 0.00 42.92 40.21 1iwe s ASP 234 CO -0.05 -1.38 1.82 1.23 -0.17 0.00 0.00 175.17 176.63 1iwe h GLY 235 N 12.10 0.85 0.74 2.66 0.00 -1.89 -1.53 103.07 116.00 1iwe h GLY 235 Ca -0.30 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 46.70 1iwe h GLY 235 CO 1.05 0.34 -0.16 -2.08 0.00 0.00 0.00 176.54 175.69 1iwe h VAL 236 N 0.80 0.64 -0.80 4.60 2.07 -1.90 -2.08 116.25 119.58 1iwe h VAL 236 Ca 0.21 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.72 1iwe h VAL 236 Cb -0.04 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 1iwe h VAL 236 CO -0.04 0.00 0.46 0.22 0.02 0.00 0.00 177.57 178.23 1iwe h TYR 237 N -0.32 1.07 -0.01 1.57 5.03 -1.94 -1.05 116.97 121.33 1iwe h TYR 237 Ca 0.02 -0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.34 1iwe h TYR 237 Cb 0.33 -0.35 -0.04 0.00 1.55 0.00 0.00 36.73 38.22 1iwe h TYR 237 CO -0.16 0.73 -0.20 0.35 -1.32 0.00 0.00 178.16 177.57 1iwe h PHE 238 N 1.10 -0.51 -0.42 -3.82 3.04 -0.94 -1.50 116.94 113.88 1iwe h PHE 238 Ca 0.28 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 62.12 1iwe h PHE 238 Cb -0.00 0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.73 1iwe h PHE 238 CO -0.00 -0.28 -0.24 0.52 -2.02 0.00 0.00 178.31 176.29 1iwe h MET 239 N -0.31 0.91 -0.59 1.11 2.86 -1.25 -2.51 114.93 115.14 1iwe h MET 239 Ca 0.06 -0.41 0.04 0.00 -2.06 0.00 0.00 59.70 57.33 1iwe h MET 239 Cb 0.39 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 1iwe h MET 239 CO -0.19 1.07 0.34 -0.92 1.06 0.00 0.00 176.91 178.27 1iwe h TYR 240 N 0.73 0.63 -0.24 -0.22 3.20 -1.03 -1.21 116.97 118.83 1iwe h TYR 240 Ca 0.09 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 1iwe h TYR 240 Cb 0.82 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 1iwe h TYR 240 CO 0.06 0.33 -0.20 0.93 -1.64 0.00 0.00 178.16 177.63 1iwe h GLU 241 N 0.65 0.43 0.00 1.82 4.39 -1.22 -1.91 114.58 118.73 1iwe h GLU 241 Ca 0.25 -0.14 -0.15 0.00 0.34 0.00 0.00 59.36 59.67 1iwe h GLU 241 Cb 0.10 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1iwe h GLU 241 CO -0.14 0.62 -0.69 0.00 -1.16 0.00 0.00 179.01 177.63 1iwe h ALA 242 N 1.40 0.85 0.00 3.43 0.00 -0.96 -2.23 119.26 121.75 1iwe h ALA 242 Ca 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1iwe h ALA 242 Cb 0.58 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1iwe h ALA 242 CO 0.04 0.87 -0.66 -0.07 0.00 0.00 0.00 179.25 179.43 1iwe h LEU 243 N 0.00 0.00 -1.71 0.00 3.38 -0.99 -3.37 115.31 112.61 1iwe h LEU 243 Ca -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1iwe h LEU 243 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1iwe h LEU 243 CO 0.09 0.03 0.00 1.41 0.09 0.00 0.00 178.44 180.06 1iwe n HIS 244 N -2.56 0.06 -0.74 1.13 8.25 -0.74 -0.06 115.22 120.55 1iwe n HIS 244 Ca 0.02 -0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1iwe n HIS 244 Cb 0.51 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1iwe n HIS 244 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1iwe n GLY 245 N 0.15 1.26 3.76 -1.41 0.00 -0.84 -5.00 105.19 103.11 1iwe n GLY 245 Ca 0.03 -1.77 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 1iwe n GLY 245 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iwe s PRO 246 N 2.11 3.41 0.06 1.61 0.04 -1.26 -4.85 135.00 136.11 1iwe s PRO 246 Ca 0.00 1.99 -0.35 0.00 0.04 0.00 0.00 61.00 62.68 1iwe s PRO 246 Cb 0.00 -2.30 -0.18 0.00 0.04 0.00 0.00 34.50 32.06 1iwe s PRO 246 CO 0.00 -0.90 0.86 -0.35 0.04 0.00 0.00 177.00 176.65 1iwe n PRO 247 N -0.83 0.00 -3.83 0.56 -0.04 -1.26 -4.95 135.00 124.65 1iwe n PRO 247 Ca 0.09 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.43 1iwe n PRO 247 Cb 0.47 -1.29 -0.11 0.00 -0.04 0.00 0.00 33.50 32.53 1iwe n PRO 247 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1iwe s LYS 248 N -0.28 0.39 -0.50 0.54 1.02 -1.26 -5.12 119.74 114.53 1iwe s LYS 248 Ca 0.79 -0.06 -0.21 0.00 0.02 0.00 0.00 55.97 56.52 1iwe s LYS 248 Cb -1.11 0.17 0.04 0.00 -0.52 0.00 0.00 37.83 36.42 1iwe s LYS 248 CO 0.54 -0.08 0.70 0.15 -0.92 0.00 0.00 175.35 175.74 1iwe s LYS 249 N -0.68 3.21 -0.16 1.68 1.02 -1.26 -4.82 119.74 118.72 1iwe s LYS 249 Ca -0.08 -0.60 -0.05 0.00 0.02 0.00 0.00 55.97 55.26 1iwe s LYS 249 Cb -0.04 -4.05 -0.03 0.00 -0.52 0.00 0.00 37.83 33.19 1iwe s LYS 249 CO 0.01 -1.22 -0.00 0.08 -0.92 0.00 0.00 175.35 173.30 1iwe s VAL 250 N 2.98 4.22 -0.07 3.17 1.01 -1.26 -0.49 120.40 129.96 1iwe s VAL 250 Ca 0.21 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.98 1iwe s VAL 250 Cb -0.16 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 1iwe s VAL 250 CO 0.16 0.48 -0.19 -0.22 0.00 0.00 0.00 175.10 175.33 1iwe s LEU 251 N 0.36 2.45 -0.17 3.92 2.96 0.15 -0.66 118.68 127.69 1iwe s LEU 251 Ca -0.02 -0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 53.52 1iwe s LEU 251 Cb -0.13 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 1iwe s LEU 251 CO 0.02 0.26 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.51 1iwe s VAL 252 N -0.24 3.01 -0.38 1.68 1.01 0.12 0.12 120.40 125.72 1iwe s VAL 252 Ca -0.00 -0.64 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 1iwe s VAL 252 Cb -0.13 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1iwe s VAL 252 CO 0.03 0.49 0.44 -0.70 0.00 0.00 0.00 175.10 175.36 1iwe s GLU 253 N 0.95 3.40 0.61 2.72 2.12 0.78 -1.71 118.70 127.57 1iwe s GLU 253 Ca -0.02 -0.47 -0.15 0.00 0.36 0.00 0.00 54.97 54.69 1iwe s GLU 253 Cb -0.15 -3.87 -0.03 0.00 0.26 0.00 0.00 34.13 30.35 1iwe s GLU 253 CO -0.01 -0.70 1.06 0.20 -0.54 0.00 0.00 175.26 175.28 1iwe s GLY 254 N 1.78 2.07 0.20 -1.50 0.00 0.34 -3.82 107.32 106.40 1iwe s GLY 254 Ca 0.14 0.37 0.11 0.00 0.00 0.00 0.00 44.72 45.34 1iwe s GLY 254 CO 0.13 0.69 -0.22 0.00 0.00 0.00 0.00 173.10 173.71 1iwe s ALA 255 N -2.52 2.40 0.00 3.20 0.00 -1.26 -4.84 121.76 118.74 1iwe s ALA 255 Ca 0.63 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1iwe s ALA 255 Cb -0.16 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.69 1iwe s ALA 255 CO 0.40 0.34 0.00 0.09 0.00 0.00 0.00 175.76 176.59 1iwe n ASN 256 N 0.13 0.00 -3.66 0.00 4.13 -1.26 -4.72 115.26 109.88 1iwe n ASN 256 Ca -0.12 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.11 1iwe n ASN 256 Cb 0.57 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.80 1iwe n ASN 256 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1iwe s ALA 257 N -1.94 -1.86 0.26 5.41 0.00 -1.26 -4.24 121.76 118.13 1iwe s ALA 257 Ca 0.00 0.57 -0.05 0.00 0.00 0.00 0.00 51.96 52.48 1iwe s ALA 257 Cb 0.00 0.46 0.50 0.00 0.00 0.00 0.00 23.12 24.08 1iwe s ALA 257 CO 0.00 -0.93 1.62 0.00 0.00 0.00 0.00 175.76 176.45 1iwe h ALA 258 N 2.00 0.86 -0.08 0.00 0.00 -1.43 0.14 119.26 120.75 1iwe h ALA 258 Ca -0.24 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1iwe h ALA 258 Cb 1.22 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1iwe h ALA 258 CO 0.27 -0.44 0.00 1.28 0.00 0.00 0.00 179.25 180.36 1iwe n LEU 259 N -5.38 0.47 -0.22 0.00 7.99 -0.61 -2.33 117.00 116.92 1iwe n LEU 259 Ca 0.15 -0.22 0.04 0.00 -0.01 0.00 0.00 56.01 55.97 1iwe n LEU 259 Cb 0.53 -0.05 0.01 0.00 -0.11 0.00 0.00 43.42 43.80 1iwe n LEU 259 CO 0.02 0.11 0.25 0.18 -1.51 0.00 0.00 177.39 176.45 1iwe n LEU 260 N -0.32 1.25 -4.71 2.23 4.77 0.44 -1.92 117.00 118.74 1iwe n LEU 260 Ca 0.07 -0.84 -0.43 0.00 -0.03 0.00 0.00 56.01 54.78 1iwe n LEU 260 Cb 0.10 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1iwe n LEU 260 CO 0.05 0.26 1.28 -0.67 -1.33 0.00 0.00 177.39 176.97 1iwe n ASP 261 N -0.06 3.69 -0.30 -1.43 -0.08 -0.86 0.30 116.55 117.81 1iwe n ASP 261 Ca 0.04 1.09 0.13 0.00 -1.51 0.00 0.00 54.79 54.54 1iwe n ASP 261 Cb 0.17 -1.54 0.36 0.00 2.34 0.00 0.00 41.12 42.46 1iwe n ASP 261 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1iwe h ILE 262 N 3.59 0.79 0.00 5.18 6.09 -1.30 0.67 117.51 132.54 1iwe h ILE 262 Ca -0.45 -0.25 -0.11 0.00 -1.37 0.00 0.00 64.86 62.69 1iwe h ILE 262 Cb 1.22 0.01 -0.02 0.00 0.47 0.00 0.00 36.82 38.51 1iwe h ILE 262 CO 0.89 0.13 -0.68 0.44 -3.07 0.00 0.00 178.15 175.86 1iwe h ASP 263 N 0.72 0.00 0.39 2.19 3.32 -1.89 -3.42 116.42 117.73 1iwe h ASP 263 Ca 0.49 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1iwe h ASP 263 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1iwe h ASP 263 CO -0.26 1.12 -0.70 0.49 -1.72 0.00 0.00 179.24 178.17 1iwe n PHE 264 N -4.55 0.07 -0.78 4.55 3.72 -1.18 -4.92 117.46 114.37 1iwe n PHE 264 Ca -0.18 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 1iwe n PHE 264 Cb 0.47 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 1iwe n PHE 264 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1iwe n GLY 265 N 1.47 -1.40 2.27 1.37 0.00 0.23 -4.82 105.19 104.31 1iwe n GLY 265 Ca 0.04 -1.61 -0.35 0.00 0.00 0.00 0.00 46.02 44.10 1iwe n GLY 265 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iwe n THR 266 N -1.90 4.16 -1.56 2.61 -2.24 -0.81 -4.91 114.28 109.64 1iwe n THR 266 Ca 0.00 -2.50 -0.46 0.00 -2.27 0.00 0.00 64.05 58.82 1iwe n THR 266 Cb 0.00 -2.49 -0.02 0.00 -2.10 0.00 0.00 70.33 65.71 1iwe n THR 266 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iwe n TYR 267 N 3.31 1.00 1.37 4.78 9.36 -1.26 -0.88 117.16 134.85 1iwe n TYR 267 Ca 0.73 0.74 0.06 0.00 3.32 0.00 0.00 57.90 62.75 1iwe n TYR 267 Cb 0.34 -2.21 0.24 0.00 -0.63 0.00 0.00 39.34 37.08 1iwe n TYR 267 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1iwe n PRO 268 N 0.95 1.50 -2.31 2.98 -0.04 -1.26 -4.48 135.00 132.35 1iwe n PRO 268 Ca 0.12 -0.77 -0.42 0.00 -0.04 0.00 0.00 63.50 62.38 1iwe n PRO 268 Cb 0.29 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 1iwe n PRO 268 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1iwe n PHE 269 N 0.06 2.91 -4.09 0.54 3.72 -0.06 -4.84 117.46 115.71 1iwe n PHE 269 Ca 0.11 -2.79 -0.14 0.00 -0.05 0.00 0.00 57.45 54.59 1iwe n PHE 269 Cb 0.21 -1.95 -0.05 0.00 -0.94 0.00 0.00 39.48 36.75 1iwe n PHE 269 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1iwe s VAL 270 N 0.38 0.00 0.50 -4.37 -7.23 -1.26 -4.28 120.40 104.13 1iwe s VAL 270 Ca 0.40 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.95 1iwe s VAL 270 Cb 0.10 -2.54 0.01 0.00 0.56 0.00 0.00 36.38 34.51 1iwe s VAL 270 CO 0.00 0.00 0.73 0.28 -0.31 0.00 0.00 175.10 175.80 1iwe s THR 271 N -3.36 3.51 -1.50 5.32 -1.32 0.15 -4.98 115.64 113.46 1iwe s THR 271 Ca 0.30 -0.51 0.08 0.00 -1.21 0.00 0.00 61.69 60.35 1iwe s THR 271 Cb 0.00 -3.31 0.29 0.00 -1.51 0.00 0.00 72.50 67.97 1iwe s THR 271 CO 0.18 -0.23 1.13 -1.20 -2.21 0.00 0.00 174.62 172.29 1iwe n SER 272 N -2.22 2.08 -4.46 8.08 7.64 -1.26 -3.00 113.62 120.49 1iwe n SER 272 Ca 0.04 -2.14 -0.22 0.00 1.01 0.00 0.00 58.87 57.56 1iwe n SER 272 Cb 0.58 -0.34 -0.11 0.00 -1.01 0.00 0.00 64.21 63.34 1iwe n SER 272 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1iwe s SER 273 N -0.73 2.62 -0.46 6.43 1.04 -1.26 -4.83 113.70 116.51 1iwe s SER 273 Ca 0.20 -1.31 -0.25 0.00 0.48 0.00 0.00 55.95 55.07 1iwe s SER 273 Cb 0.13 -0.14 0.03 0.00 0.10 0.00 0.00 66.02 66.14 1iwe s SER 273 CO 0.11 -0.51 0.92 0.20 0.98 0.00 0.00 173.24 174.94 1iwe s ASN 274 N -3.49 6.50 0.00 7.02 -0.87 -1.26 -1.97 114.94 120.87 1iwe s ASN 274 Ca 0.34 0.12 0.27 0.00 -1.57 0.00 0.00 52.86 52.02 1iwe s ASN 274 Cb 0.07 -2.45 0.93 0.00 -0.02 0.00 0.00 41.25 39.78 1iwe s ASN 274 CO 0.14 -1.05 1.69 0.00 -2.57 0.00 0.00 177.10 175.32 1iwe s THR 276 N -2.76 2.06 0.37 0.00 -4.23 -1.26 -4.60 115.64 105.22 1iwe s THR 276 Ca 0.19 -0.10 0.13 0.00 -1.18 0.00 0.00 61.69 60.73 1iwe s THR 276 Cb 0.19 -2.96 0.35 0.00 1.34 0.00 0.00 72.50 71.41 1iwe s THR 276 CO 0.57 0.00 1.81 1.62 -0.54 0.00 0.00 174.62 178.08 1iwe h VAL 277 N -1.14 0.67 -0.52 2.29 3.04 -1.88 0.12 116.25 118.83 1iwe h VAL 277 Ca -0.44 -0.19 0.08 0.00 -1.01 0.00 0.00 66.70 65.14 1iwe h VAL 277 Cb 1.29 0.07 -0.03 0.00 -2.01 0.00 0.00 31.29 30.60 1iwe h VAL 277 CO 0.52 0.10 0.35 1.23 -1.01 0.00 0.00 177.57 178.77 1iwe h GLY 278 N 0.56 0.47 2.00 3.17 0.00 -1.92 -0.04 103.07 107.30 1iwe h GLY 278 Ca 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 1iwe h GLY 278 CO -0.27 0.09 -0.03 -1.33 0.00 0.00 0.00 176.54 175.01 1iwe h GLY 279 N 0.35 0.00 0.73 4.60 0.00 -0.93 -2.18 103.07 105.64 1iwe h GLY 279 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 1iwe h GLY 279 CO -0.06 0.00 -0.01 -2.08 0.00 0.00 0.00 176.54 174.39 1iwe h VAL 280 N 0.00 1.27 -0.23 4.60 2.07 -1.09 0.22 116.25 123.08 1iwe h VAL 280 Ca -0.00 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1iwe h VAL 280 Cb 0.11 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1iwe h VAL 280 CO 0.00 0.25 0.10 0.00 0.02 0.00 0.00 177.57 177.95 1iwe h THR 282 N 0.24 1.12 0.00 0.00 1.35 -1.48 -0.06 112.91 114.08 1iwe h THR 282 Ca 0.08 -1.95 0.00 0.00 -0.55 0.00 0.00 66.41 63.99 1iwe h THR 282 Cb 0.15 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1iwe h THR 282 CO -0.01 0.51 -0.41 0.61 -0.25 0.00 0.00 175.52 175.97 1iwe n GLY 283 N 0.46 -1.49 0.00 5.82 0.00 0.77 -4.33 105.19 106.42 1iwe n GLY 283 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1iwe n GLY 283 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iwe n LEU 284 N -2.07 0.00 0.00 0.99 4.77 -0.59 -1.70 117.00 118.39 1iwe n LEU 284 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1iwe n LEU 284 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1iwe n LEU 284 CO 0.34 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1iwe n GLY 285 N 2.22 0.79 3.52 -0.72 0.00 -0.04 -4.60 105.19 106.35 1iwe n GLY 285 Ca 0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 1iwe n GLY 285 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1iwe s ILE 286 N -2.00 3.11 0.60 -0.61 -0.00 -1.18 -4.93 121.20 116.19 1iwe s ILE 286 Ca 0.00 -1.26 -0.13 0.00 -0.00 0.00 0.00 60.65 59.26 1iwe s ILE 286 Cb 0.00 -2.40 -0.04 0.00 -0.00 0.00 0.00 42.46 40.02 1iwe s ILE 286 CO 0.00 0.20 1.02 -2.16 -0.00 0.00 0.00 174.94 174.00 1iwe s PRO 287 N -1.91 3.57 0.58 0.37 0.04 -1.26 -4.42 135.00 131.97 1iwe s PRO 287 Ca 0.18 0.90 0.28 0.00 0.04 0.00 0.00 61.00 62.40 1iwe s PRO 287 Cb -0.11 -2.08 1.55 0.00 0.04 0.00 0.00 34.50 33.90 1iwe s PRO 287 CO 0.10 -0.59 2.01 -1.00 0.04 0.00 0.00 177.00 177.57 1iwe h PRO 288 N 0.09 0.00 0.00 0.56 0.13 -1.98 -0.47 132.00 130.33 1iwe h PRO 288 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1iwe h PRO 288 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1iwe h PRO 288 CO 0.60 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.37 1iwe n GLN 289 N -3.87 0.47 -0.68 0.86 0.00 -1.26 -2.46 117.38 110.43 1iwe n GLN 289 Ca 0.05 0.03 0.09 0.00 0.00 0.00 0.00 57.00 57.17 1iwe n GLN 289 Cb 0.48 -1.50 0.36 0.00 0.00 0.00 0.00 30.24 29.58 1iwe n GLN 289 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1iwe n ASN 290 N -1.22 4.98 -4.42 2.61 4.13 -0.19 -4.86 115.26 116.30 1iwe n ASN 290 Ca 0.14 -2.64 -0.36 0.00 1.68 0.00 0.00 54.58 53.40 1iwe n ASN 290 Cb 0.18 -0.60 -0.13 0.00 -1.54 0.00 0.00 39.78 37.69 1iwe n ASN 290 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1iwe s ILE 291 N -2.20 4.03 0.00 2.41 1.01 -1.03 -0.15 121.20 125.27 1iwe s ILE 291 Ca 0.51 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.89 1iwe s ILE 291 Cb 0.35 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.96 1iwe s ILE 291 CO 0.20 0.38 0.00 0.61 0.00 0.00 0.00 174.94 176.13 1iwe n GLY 292 N 4.75 0.43 3.75 6.18 0.00 0.99 -4.81 105.19 116.47 1iwe n GLY 292 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1iwe n GLY 292 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iwe s ASP 293 N -1.00 6.81 -0.24 1.61 -0.00 -1.25 -4.89 116.67 117.71 1iwe s ASP 293 Ca 0.00 2.57 0.01 0.00 -0.00 0.00 0.00 52.55 55.12 1iwe s ASP 293 Cb 0.00 -2.63 0.07 0.00 -0.00 0.00 0.00 42.92 40.36 1iwe s ASP 293 CO 0.00 -0.55 -0.03 -0.69 -0.00 0.00 0.00 175.17 173.90 1iwe s VAL 294 N -0.44 1.48 -0.16 -1.27 1.01 -1.26 0.16 120.40 119.92 1iwe s VAL 294 Ca 0.54 -1.27 -0.13 0.00 0.00 0.00 0.00 61.98 61.12 1iwe s VAL 294 Cb -0.39 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 1iwe s VAL 294 CO 0.45 -0.17 0.26 -0.31 0.00 0.00 0.00 175.10 175.33 1iwe s TYR 295 N 1.40 3.47 -0.38 5.22 2.02 0.24 -0.23 117.35 129.08 1iwe s TYR 295 Ca -0.04 0.56 -0.16 0.00 -0.37 0.00 0.00 57.07 57.06 1iwe s TYR 295 Cb -0.19 -2.28 0.01 0.00 -0.40 0.00 0.00 41.96 39.09 1iwe s TYR 295 CO -0.08 0.29 0.40 0.20 -1.57 0.00 0.00 175.55 174.80 1iwe s GLY 296 N 0.30 1.90 -0.21 0.71 0.00 -0.62 0.02 107.32 109.40 1iwe s GLY 296 Ca 0.15 -1.36 -0.28 0.00 0.00 0.00 0.00 44.72 43.23 1iwe s GLY 296 CO 0.03 1.08 1.01 0.14 0.00 0.00 0.00 173.10 175.36 1iwe s VAL 297 N 2.08 4.72 -0.21 1.40 1.01 0.10 -1.93 120.40 127.57 1iwe s VAL 297 Ca 0.12 1.97 0.01 0.00 0.00 0.00 0.00 61.98 64.08 1iwe s VAL 297 Cb -0.17 -4.28 0.04 0.00 0.00 0.00 0.00 36.38 31.97 1iwe s VAL 297 CO 0.13 -0.14 -0.12 -0.69 0.00 0.00 0.00 175.10 174.28 1iwe s VAL 298 N 2.97 1.80 0.26 2.92 1.01 0.30 -2.22 120.40 127.44 1iwe s VAL 298 Ca 0.43 -1.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 1iwe s VAL 298 Cb -0.16 -1.83 -0.09 0.00 0.00 0.00 0.00 36.38 34.30 1iwe s VAL 298 CO 0.08 0.19 1.10 -0.75 0.00 0.00 0.00 175.10 175.72 1iwe s LYS 299 N 1.33 4.63 0.62 2.72 2.20 -1.26 -1.44 119.74 128.54 1iwe s LYS 299 Ca -0.02 1.79 0.26 0.00 -0.36 0.00 0.00 55.97 57.64 1iwe s LYS 299 Cb -0.16 -3.20 1.26 0.00 -1.51 0.00 0.00 37.83 34.21 1iwe s LYS 299 CO -0.08 0.19 1.69 0.00 -0.36 0.00 0.00 175.35 176.79 1iwe h ALA 300 N 4.03 2.11 -2.44 3.13 0.00 -0.92 -3.41 119.26 121.77 1iwe h ALA 300 Ca -0.46 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.12 1iwe h ALA 300 Cb 1.21 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.89 1iwe h ALA 300 CO 0.68 -0.86 -0.61 1.52 0.00 0.00 0.00 179.25 179.98 1iwe s TYR 301 N -4.39 1.41 -0.02 0.00 1.13 -1.26 -4.32 117.35 109.89 1iwe s TYR 301 Ca -0.03 -1.28 -0.02 0.00 -1.41 0.00 0.00 57.07 54.33 1iwe s TYR 301 Cb 0.12 -0.77 -0.04 0.00 -1.10 0.00 0.00 41.96 40.18 1iwe s TYR 301 CO 0.41 -0.48 0.10 0.99 -2.51 0.00 0.00 175.55 174.06 1iwe s THR 302 N -3.89 4.89 0.14 -3.49 2.01 0.03 -4.80 115.64 110.53 1iwe s THR 302 Ca 0.38 -0.29 -0.09 0.00 0.31 0.00 0.00 61.69 62.00 1iwe s THR 302 Cb 0.07 -3.22 -0.01 0.00 0.01 0.00 0.00 72.50 69.35 1iwe s THR 302 CO 0.14 0.39 0.24 0.42 -0.69 0.00 0.00 174.62 175.12 1iwe s THR 303 N -1.18 0.09 -0.28 -0.82 -4.23 -1.26 -0.54 115.64 107.43 1iwe s THR 303 Ca 0.22 -1.32 -0.22 0.00 -1.18 0.00 0.00 61.69 59.19 1iwe s THR 303 Cb -0.12 -1.66 0.11 0.00 1.34 0.00 0.00 72.50 72.17 1iwe s THR 303 CO 0.13 -0.43 0.91 0.00 -0.54 0.00 0.00 174.62 174.69 1iwe s ARG 304 N -3.93 0.57 -0.19 3.99 1.70 -0.96 -4.12 118.95 116.01 1iwe s ARG 304 Ca 0.13 0.78 0.00 0.00 -0.47 0.00 0.00 55.73 56.17 1iwe s ARG 304 Cb 0.04 0.23 0.01 0.00 -0.57 0.00 0.00 34.95 34.66 1iwe s ARG 304 CO -0.04 -0.08 -0.17 0.54 -1.08 0.00 0.00 175.30 174.46 1iwe s VAL 305 N 0.70 2.30 -2.26 4.99 0.11 -1.26 -1.60 120.40 123.38 1iwe s VAL 305 Ca -0.02 -0.86 0.00 0.00 -2.93 0.00 0.00 61.98 58.17 1iwe s VAL 305 Cb -0.05 -1.98 0.00 0.00 -1.53 0.00 0.00 36.38 32.82 1iwe s VAL 305 CO -0.09 0.52 0.00 0.61 -3.33 0.00 0.00 175.10 172.81 1iwe n GLY 306 N 4.62 0.94 3.87 6.54 0.00 -1.26 -5.02 105.19 114.88 1iwe n GLY 306 Ca -0.20 -2.16 -0.31 0.00 0.00 0.00 0.00 46.02 43.35 1iwe n GLY 306 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iwe s ILE 307 N -1.00 4.68 0.00 -0.61 -1.09 -0.92 -4.99 121.20 117.27 1iwe s ILE 307 Ca 0.00 0.94 0.00 0.00 -2.23 0.00 0.00 60.65 59.36 1iwe s ILE 307 Cb 0.00 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 37.04 1iwe s ILE 307 CO 0.00 -1.05 0.00 0.61 -1.23 0.00 0.00 174.94 173.27 1iwe n GLY 308 N -2.51 3.94 3.67 6.18 0.00 -1.26 -4.83 105.19 110.38 1iwe n GLY 308 Ca 0.06 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 1iwe n GLY 308 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iwe n ALA 309 N -1.50 0.86 -3.14 4.61 0.00 -1.26 -4.99 120.51 115.10 1iwe n ALA 309 Ca 0.00 0.27 -0.11 0.00 0.00 0.00 0.00 53.44 53.59 1iwe n ALA 309 Cb 0.00 -2.20 -0.04 0.00 0.00 0.00 0.00 19.45 17.21 1iwe n ALA 309 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1iwe s PHE 310 N -1.21 -0.72 0.23 0.00 5.36 -1.26 -5.06 117.98 115.32 1iwe s PHE 310 Ca 0.61 -0.85 -0.08 0.00 -0.96 0.00 0.00 56.93 55.66 1iwe s PHE 310 Cb -0.54 -0.14 0.38 0.00 -0.34 0.00 0.00 43.02 42.39 1iwe s PHE 310 CO 0.58 -1.08 1.68 -1.35 -1.46 0.00 0.00 175.22 173.58 1iwe h PRO 311 N 6.08 0.20 -0.32 10.12 0.11 -1.94 -2.37 132.00 143.88 1iwe h PRO 311 Ca 0.10 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1iwe h PRO 311 Cb 1.07 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1iwe h PRO 311 CO 0.15 0.13 0.00 0.25 -0.21 0.00 0.00 178.00 178.32 1iwe n THR 312 N -5.21 0.42 -1.61 -1.15 -2.24 -1.26 -4.77 114.28 98.47 1iwe n THR 312 Ca 0.12 -0.49 -0.49 0.00 -2.27 0.00 0.00 64.05 60.92 1iwe n THR 312 Cb 0.41 0.36 -0.05 0.00 -2.10 0.00 0.00 70.33 68.95 1iwe n THR 312 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1iwe n GLU 313 N 0.61 1.41 -3.88 -0.78 2.13 -0.89 -2.66 120.64 116.58 1iwe n GLU 313 Ca 0.15 0.50 -0.34 0.00 0.66 0.00 0.00 57.16 58.13 1iwe n GLU 313 Cb 0.36 -2.11 -0.13 0.00 0.27 0.00 0.00 31.44 29.83 1iwe n GLU 313 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1iwe s GLN 314 N 0.10 1.94 -1.10 5.31 -1.52 0.76 -4.91 119.66 120.24 1iwe s GLN 314 Ca 0.77 -1.73 -0.08 0.00 -1.95 0.00 0.00 55.36 52.38 1iwe s GLN 314 Cb -0.84 -3.39 0.28 0.00 -0.22 0.00 0.00 33.01 28.84 1iwe s GLN 314 CO 0.48 -0.94 1.15 -0.89 -0.25 0.00 0.00 175.29 174.84 1iwe n ILE 315 N 4.50 4.58 -2.97 1.08 5.41 -1.26 -3.45 119.36 127.25 1iwe n ILE 315 Ca -0.03 -5.45 0.00 0.00 1.00 0.00 0.00 62.75 58.27 1iwe n ILE 315 Cb 0.42 -2.50 0.00 0.00 -0.71 0.00 0.00 39.64 36.85 1iwe n ILE 315 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1iwe n ASN 316 N 2.45 0.00 -0.28 4.38 0.23 -1.26 -4.97 115.26 115.80 1iwe n ASN 316 Ca 0.24 -0.48 0.03 0.00 -0.53 0.00 0.00 54.58 53.84 1iwe n ASN 316 Cb 0.38 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.24 1iwe n ASN 316 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1iwe h GLU 317 N 0.00 0.73 -0.53 -3.83 4.81 -2.00 -0.80 114.58 112.97 1iwe h GLU 317 Ca 0.00 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 1iwe h GLU 317 Cb 0.00 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 1iwe h GLU 317 CO 0.00 0.48 -0.13 0.82 -0.73 0.00 0.00 179.01 179.46 1iwe h ILE 318 N 0.75 1.27 -0.31 2.32 5.03 -1.96 -2.14 117.51 122.47 1iwe h ILE 318 Ca 0.39 -1.28 -0.00 0.00 -0.12 0.00 0.00 64.86 63.84 1iwe h ILE 318 Cb 0.36 0.99 -0.02 0.00 -3.03 0.00 0.00 36.82 35.12 1iwe h ILE 318 CO -0.25 0.45 0.19 1.23 -0.68 0.00 0.00 178.15 179.09 1iwe h GLY 319 N 0.93 0.45 1.50 5.37 0.00 -1.30 -1.93 103.07 108.08 1iwe h GLY 319 Ca 0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 1iwe h GLY 319 CO 0.05 0.18 0.12 -0.55 0.00 0.00 0.00 176.54 176.34 1iwe h ASP 320 N 0.40 0.59 -0.26 0.19 3.32 -1.09 -1.47 116.42 118.10 1iwe h ASP 320 Ca 0.11 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1iwe h ASP 320 Cb -0.01 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1iwe h ASP 320 CO -0.02 0.58 -0.01 0.25 -1.72 0.00 0.00 179.24 178.31 1iwe h LEU 321 N 0.63 0.47 -0.10 1.55 5.85 -0.95 0.13 115.31 122.88 1iwe h LEU 321 Ca 0.15 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1iwe h LEU 321 Cb 0.21 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1iwe h LEU 321 CO -0.01 0.67 0.03 -0.07 -0.34 0.00 0.00 178.44 178.72 1iwe h LEU 322 N 0.25 0.16 -0.09 2.25 3.38 -1.19 0.37 115.31 120.43 1iwe h LEU 322 Ca 0.07 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1iwe h LEU 322 Cb 0.44 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1iwe h LEU 322 CO 0.02 0.34 -0.09 -0.61 0.09 0.00 0.00 178.44 178.19 1iwe h GLN 323 N -0.04 -0.11 0.08 1.13 -0.00 -1.22 0.26 115.11 115.20 1iwe h GLN 323 Ca 0.03 0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.69 1iwe h GLN 323 Cb 0.25 0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.75 1iwe h GLN 323 CO 0.00 -0.08 -0.04 -0.97 0.00 0.00 0.00 178.83 177.75 1iwe h ASN 324 N -0.12 -0.09 0.58 -0.69 -0.73 -0.67 -0.33 115.58 113.53 1iwe h ASN 324 Ca 0.07 -0.23 -0.06 0.00 1.87 0.00 0.00 56.30 57.96 1iwe h ASN 324 Cb 0.21 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.82 1iwe h ASN 324 CO -0.16 0.18 -0.26 0.03 -0.37 0.00 0.00 177.43 176.85 1iwe h ARG 325 N -0.36 0.00 -0.02 6.67 3.08 -0.86 -2.73 114.38 120.16 1iwe h ARG 325 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1iwe h ARG 325 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1iwe h ARG 325 CO 0.02 0.26 0.00 0.41 -1.07 0.00 0.00 179.97 179.59 1iwe n GLY 326 N -0.26 0.26 3.82 0.04 0.00 0.90 -4.89 105.19 105.06 1iwe n GLY 326 Ca -0.01 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 1iwe n GLY 326 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1iwe n HIS 327 N 0.48 -1.78 -2.57 1.61 -0.00 -0.69 -4.81 115.22 107.47 1iwe n HIS 327 Ca 0.18 0.77 -0.42 0.00 0.46 0.00 0.00 57.72 58.70 1iwe n HIS 327 Cb 0.42 -4.00 -0.01 0.00 -0.12 0.00 0.00 29.99 26.27 1iwe n HIS 327 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 1iwe s GLU 328 N -6.25 3.85 -0.03 1.57 0.41 -0.22 -4.91 118.70 113.13 1iwe s GLU 328 Ca 0.04 -1.70 0.01 0.00 -0.41 0.00 0.00 54.97 52.90 1iwe s GLU 328 Cb -0.01 -5.48 0.02 0.00 -1.78 0.00 0.00 34.13 26.88 1iwe s GLU 328 CO 0.85 -2.26 -0.01 -1.58 -0.49 0.00 0.00 175.26 171.77 1iwe s TRP 329 N 4.53 0.35 0.12 1.61 0.51 -1.26 -1.76 118.94 123.04 1iwe s TRP 329 Ca 0.52 -0.03 -0.32 0.00 -2.12 0.00 0.00 56.10 54.14 1iwe s TRP 329 Cb 0.03 -0.39 -0.12 0.00 -0.81 0.00 0.00 33.47 32.18 1iwe s TRP 329 CO 0.02 -0.11 1.79 0.41 -0.51 0.00 0.00 176.95 178.55 1iwe n GLY 330 N 3.89 1.55 0.23 0.98 0.00 -0.32 -4.82 105.19 106.71 1iwe n GLY 330 Ca -0.24 0.71 0.12 0.00 0.00 0.00 0.00 46.02 46.61 1iwe n GLY 330 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1iwe h VAL 331 N 4.46 0.33 0.13 1.61 -1.51 -1.92 1.22 116.25 120.57 1iwe h VAL 331 Ca -0.46 -0.99 -0.23 0.00 -1.23 0.00 0.00 66.70 63.79 1iwe h VAL 331 Cb 1.23 1.76 0.01 0.00 -2.13 0.00 0.00 31.29 32.16 1iwe h VAL 331 CO 0.94 0.14 -1.12 0.74 -1.23 0.00 0.00 177.57 177.04 1iwe h THR 332 N 0.00 1.27 0.00 7.19 2.02 -1.87 -3.42 112.91 118.11 1iwe h THR 332 Ca -0.00 -2.47 -0.23 0.00 0.77 0.00 0.00 66.41 64.47 1iwe h THR 332 Cb 0.75 2.96 -0.04 0.00 -1.74 0.00 0.00 68.15 70.07 1iwe h THR 332 CO 0.02 0.71 -1.88 0.35 0.37 0.00 0.00 175.52 175.08 1iwe n THR 333 N -4.02 0.89 -0.02 3.16 -2.24 -1.21 -5.02 114.28 105.81 1iwe n THR 333 Ca -0.19 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1iwe n THR 333 Cb 0.87 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1iwe n THR 333 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iwe n GLY 334 N 2.47 0.51 3.63 3.38 0.00 0.42 -4.97 105.19 110.65 1iwe n GLY 334 Ca -0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 1iwe n GLY 334 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iwe n ARG 335 N -2.00 0.90 -2.48 1.61 1.74 -1.26 -4.32 116.66 110.85 1iwe n ARG 335 Ca 0.00 0.35 -0.41 0.00 -0.77 0.00 0.00 57.85 57.02 1iwe n ARG 335 Cb 0.00 -2.23 -0.03 0.00 -1.02 0.00 0.00 32.46 29.17 1iwe n ARG 335 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1iwe s LYS 336 N -2.90 4.52 0.30 5.56 2.20 -1.26 -1.18 119.74 126.98 1iwe s LYS 336 Ca 0.78 1.73 -0.20 0.00 -0.36 0.00 0.00 55.97 57.92 1iwe s LYS 336 Cb -0.40 -3.32 -0.09 0.00 -1.51 0.00 0.00 37.83 32.51 1iwe s LYS 336 CO 0.45 -0.08 0.81 1.03 -0.36 0.00 0.00 175.35 177.20 1iwe s ARG 337 N 0.31 4.25 0.22 4.03 0.52 -0.72 -4.87 118.95 122.69 1iwe s ARG 337 Ca 0.53 0.95 -0.27 0.00 -0.52 0.00 0.00 55.73 56.42 1iwe s ARG 337 Cb -0.29 -2.64 -0.09 0.00 0.52 0.00 0.00 34.95 32.45 1iwe s ARG 337 CO 0.32 0.25 0.87 1.03 0.02 0.00 0.00 175.30 177.78 1iwe s ARG 338 N -2.44 4.67 0.20 3.54 0.52 -0.62 -4.94 118.95 119.88 1iwe s ARG 338 Ca 0.50 1.30 0.09 0.00 -0.52 0.00 0.00 55.73 57.10 1iwe s ARG 338 Cb -0.14 -3.18 -0.05 0.00 0.52 0.00 0.00 34.95 32.11 1iwe s ARG 338 CO 0.19 0.50 -0.17 0.00 0.02 0.00 0.00 175.30 175.84 1iwe s GLY 340 N -3.07 0.01 0.90 0.00 0.00 0.30 -0.17 107.32 105.30 1iwe s GLY 340 Ca 0.21 -0.17 -0.11 0.00 0.00 0.00 0.00 44.72 44.64 1iwe s GLY 340 CO 0.08 3.20 1.09 -0.98 0.00 0.00 0.00 173.10 176.49 1iwe s TRP 341 N -2.17 2.13 0.54 1.90 0.52 -1.09 -0.79 118.94 119.98 1iwe s TRP 341 Ca 0.23 1.41 -0.22 0.00 0.02 0.00 0.00 56.10 57.55 1iwe s TRP 341 Cb -0.02 -3.16 -0.05 0.00 -1.15 0.00 0.00 33.47 29.09 1iwe s TRP 341 CO 0.03 -2.52 1.38 -1.17 0.02 0.00 0.00 176.95 174.69 1iwe s LEU 342 N -6.35 3.87 -0.23 2.99 2.96 -1.26 -3.37 118.68 117.29 1iwe s LEU 342 Ca 0.64 2.81 -0.01 0.00 -0.22 0.00 0.00 54.13 57.35 1iwe s LEU 342 Cb -0.19 -4.24 0.07 0.00 0.50 0.00 0.00 46.19 42.33 1iwe s LEU 342 CO 0.58 -1.56 0.01 -0.62 -1.32 0.00 0.00 176.35 173.44 1iwe s ASP 343 N -0.88 3.56 0.29 3.68 -1.08 -1.26 -0.53 116.67 120.45 1iwe s ASP 343 Ca 0.71 -1.15 0.11 0.00 -0.52 0.00 0.00 52.55 51.70 1iwe s ASP 343 Cb -0.41 -0.93 0.42 0.00 -1.46 0.00 0.00 42.92 40.54 1iwe s ASP 343 CO 0.49 -0.29 1.65 -0.07 0.52 0.00 0.00 175.17 177.47 1iwe h LEU 344 N 8.07 0.00 -0.39 -1.34 3.38 -1.23 -3.06 115.31 120.74 1iwe h LEU 344 Ca -0.16 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.89 1iwe h LEU 344 Cb 1.08 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.76 1iwe h LEU 344 CO 0.40 0.57 -0.05 0.24 0.09 0.00 0.00 178.44 179.69 1iwe h MET 345 N 0.00 0.05 -0.01 1.13 2.86 -1.84 0.19 114.93 117.31 1iwe h MET 345 Ca -0.01 -0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.51 1iwe h MET 345 Cb 1.01 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 1iwe h MET 345 CO 0.07 0.03 -0.56 -0.84 1.06 0.00 0.00 176.91 176.67 1iwe h ILE 346 N 0.05 1.40 -0.27 -1.22 -0.00 -1.94 -2.57 117.51 112.96 1iwe h ILE 346 Ca 0.19 -1.92 -0.16 0.00 -0.00 0.00 0.00 64.86 62.97 1iwe h ILE 346 Cb 0.29 2.03 -0.00 0.00 -0.00 0.00 0.00 36.82 39.13 1iwe h ILE 346 CO -0.37 0.55 -0.49 -0.07 -0.00 0.00 0.00 178.15 177.77 1iwe h LEU 347 N 0.02 0.81 -0.72 0.16 3.38 -1.09 -0.10 115.31 117.77 1iwe h LEU 347 Ca -0.01 -0.41 -0.14 0.00 0.09 0.00 0.00 57.88 57.42 1iwe h LEU 347 Cb 1.00 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1iwe h LEU 347 CO 0.07 1.16 -0.62 0.03 0.09 0.00 0.00 178.44 179.17 1iwe h ARG 348 N 0.58 0.07 -0.09 1.13 3.08 -0.67 -0.97 114.38 117.52 1iwe h ARG 348 Ca 0.03 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1iwe h ARG 348 Cb 1.06 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 1iwe h ARG 348 CO 0.10 0.67 -0.12 -0.92 -1.07 0.00 0.00 179.97 178.63 1iwe h TYR 349 N 0.05 0.29 -0.71 3.04 3.20 -1.32 -1.42 116.97 120.09 1iwe h TYR 349 Ca -0.01 -0.09 0.06 0.00 3.14 0.00 0.00 58.73 61.82 1iwe h TYR 349 Cb 1.11 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 39.27 1iwe h TYR 349 CO 0.01 0.70 0.41 0.00 -1.64 0.00 0.00 178.16 177.64 1iwe h ALA 350 N 0.54 0.95 -0.36 1.82 0.00 -0.90 -1.68 119.26 119.63 1iwe h ALA 350 Ca 0.01 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1iwe h ALA 350 Cb 0.66 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1iwe h ALA 350 CO 0.03 0.12 -0.07 1.25 0.00 0.00 0.00 179.25 180.58 1iwe h HIS 351 N 0.77 0.65 -0.29 0.00 -0.00 -1.11 0.12 115.15 115.29 1iwe h HIS 351 Ca 0.31 -0.09 -0.03 0.00 -0.00 0.00 0.00 60.37 60.56 1iwe h HIS 351 Cb 0.16 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.38 1iwe h HIS 351 CO -0.06 0.66 0.06 0.52 -0.00 0.00 0.00 177.93 179.11 1iwe h MET 352 N 0.57 0.42 0.07 5.26 2.07 -0.32 0.26 114.93 123.26 1iwe h MET 352 Ca 0.11 -0.06 -0.34 0.00 -2.07 0.00 0.00 59.70 57.33 1iwe h MET 352 Cb 0.46 -0.07 -0.03 0.00 -1.87 0.00 0.00 31.60 30.08 1iwe h MET 352 CO 0.02 0.40 -1.95 0.28 1.07 0.00 0.00 176.91 176.74 1iwe n VAL 353 N -4.36 1.69 0.03 -2.22 0.31 -0.99 -4.52 118.33 108.28 1iwe n VAL 353 Ca 0.01 -0.71 0.03 0.00 -0.01 0.00 0.00 64.34 63.67 1iwe n VAL 353 Cb 0.18 -1.43 -0.08 0.00 -0.91 0.00 0.00 33.84 31.60 1iwe n VAL 353 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1iwe n ASN 354 N -3.29 0.68 -3.45 4.52 3.02 0.38 -4.72 115.26 112.39 1iwe n ASN 354 Ca -0.28 0.29 -0.19 0.00 -0.03 0.00 0.00 54.58 54.37 1iwe n ASN 354 Cb 1.05 0.52 0.07 0.00 -0.61 0.00 0.00 39.78 40.81 1iwe n ASN 354 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iwe n GLY 355 N 1.36 -0.68 3.67 7.41 0.00 0.91 -4.84 105.19 113.02 1iwe n GLY 355 Ca -0.09 0.30 -0.44 0.00 0.00 0.00 0.00 46.02 45.80 1iwe n GLY 355 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iwe n PHE 356 N -3.87 2.17 -0.01 1.61 0.99 -1.26 -4.82 117.46 112.27 1iwe n PHE 356 Ca -0.20 0.46 -0.08 0.00 -0.00 0.00 0.00 57.45 57.63 1iwe n PHE 356 Cb 0.65 -2.45 -0.13 0.00 -1.00 0.00 0.00 39.48 36.55 1iwe n PHE 356 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.76 178.55 1iwe h THR 357 N 2.94 0.90 -3.08 4.37 1.35 -0.95 -3.49 112.91 114.94 1iwe h THR 357 Ca -0.45 -2.72 -0.01 0.00 -0.55 0.00 0.00 66.41 62.69 1iwe h THR 357 Cb 1.28 2.43 -0.11 0.00 -1.73 0.00 0.00 68.15 70.02 1iwe h THR 357 CO 0.73 0.51 0.16 0.00 -0.25 0.00 0.00 175.52 176.67 1iwe s ALA 358 N -2.63 -1.37 0.25 6.62 0.00 -1.21 -4.58 121.76 118.84 1iwe s ALA 358 Ca -0.04 0.19 0.10 0.00 0.00 0.00 0.00 51.96 52.21 1iwe s ALA 358 Cb 0.08 0.86 -0.05 0.00 0.00 0.00 0.00 23.12 24.02 1iwe s ALA 358 CO 0.82 -0.81 -0.12 -0.51 0.00 0.00 0.00 175.76 175.15 1iwe s LEU 359 N -2.80 2.85 -0.27 0.00 1.43 0.12 -1.59 118.68 118.42 1iwe s LEU 359 Ca 0.04 -0.79 0.01 0.00 -1.03 0.00 0.00 54.13 52.36 1iwe s LEU 359 Cb -0.02 -1.43 0.08 0.00 0.03 0.00 0.00 46.19 44.85 1iwe s LEU 359 CO -0.08 0.05 0.01 0.00 0.23 0.00 0.00 176.35 176.56 1iwe s ALA 360 N -2.19 1.99 -0.47 4.21 0.00 -0.81 -0.23 121.76 124.25 1iwe s ALA 360 Ca 0.28 -1.62 -0.21 0.00 0.00 0.00 0.00 51.96 50.42 1iwe s ALA 360 Cb -0.07 -1.57 0.04 0.00 0.00 0.00 0.00 23.12 21.53 1iwe s ALA 360 CO 0.16 -1.40 0.67 -1.17 0.00 0.00 0.00 175.76 174.02 1iwe s LEU 361 N 1.38 4.61 0.36 0.00 2.96 -0.14 -0.54 118.68 127.31 1iwe s LEU 361 Ca 0.01 -0.54 0.07 0.00 -0.22 0.00 0.00 54.13 53.46 1iwe s LEU 361 Cb -0.18 -2.64 -0.01 0.00 0.50 0.00 0.00 46.19 43.85 1iwe s LEU 361 CO -0.11 -0.87 0.44 0.42 -1.32 0.00 0.00 176.35 174.91 1iwe s THR 362 N 2.88 3.59 -1.31 3.68 -4.23 -0.52 -0.03 115.64 119.70 1iwe s THR 362 Ca 0.21 -1.12 -0.02 0.00 -1.18 0.00 0.00 61.69 59.58 1iwe s THR 362 Cb -0.16 -3.23 0.01 0.00 1.34 0.00 0.00 72.50 70.46 1iwe s THR 362 CO 0.17 -0.12 0.13 0.29 -0.54 0.00 0.00 174.62 174.55 1iwe n LYS 363 N -1.61 -2.56 0.06 3.99 5.02 -1.15 -0.30 118.16 121.62 1iwe n LYS 363 Ca 0.01 0.71 0.08 0.00 -2.02 0.00 0.00 58.31 57.10 1iwe n LYS 363 Cb 0.59 -5.37 0.53 0.00 -0.02 0.00 0.00 35.03 30.75 1iwe n LYS 363 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1iwe h LEU 364 N -0.28 0.27 -2.33 -0.35 5.85 -1.45 -2.24 115.31 114.77 1iwe h LEU 364 Ca -0.39 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 1iwe h LEU 364 Cb 1.28 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1iwe h LEU 364 CO 0.45 0.19 -0.02 -2.24 -0.34 0.00 0.00 178.44 176.47 1iwe h ASP 365 N 0.31 0.00 0.09 1.25 3.04 -1.82 -2.35 116.42 116.94 1iwe h ASP 365 Ca 0.14 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.91 1iwe h ASP 365 Cb 0.16 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.45 1iwe h ASP 365 CO -0.03 0.02 -0.06 0.40 -2.04 0.00 0.00 179.24 177.53 1iwe h ILE 366 N 0.00 0.87 -0.17 4.15 5.03 -1.75 -0.97 117.51 124.68 1iwe h ILE 366 Ca -0.00 -0.23 0.00 0.00 -0.12 0.00 0.00 64.86 64.51 1iwe h ILE 366 Cb 0.21 1.13 0.00 0.00 -3.03 0.00 0.00 36.82 35.13 1iwe h ILE 366 CO 0.00 0.06 0.00 0.18 -0.68 0.00 0.00 178.15 177.72 1iwe n LEU 367 N -4.21 1.62 0.20 1.44 4.77 -0.88 -4.41 117.00 115.52 1iwe n LEU 367 Ca -0.03 -0.68 0.18 0.00 -0.03 0.00 0.00 56.01 55.45 1iwe n LEU 367 Cb 0.15 -0.11 0.82 0.00 -2.33 0.00 0.00 43.42 41.95 1iwe n LEU 367 CO 0.33 0.34 1.16 0.44 -1.33 0.00 0.00 177.39 178.33 1iwe h ASP 368 N 2.12 0.00 -0.05 -1.43 3.32 -1.30 -2.45 116.42 116.64 1iwe h ASP 368 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1iwe h ASP 368 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1iwe h ASP 368 CO 0.00 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.85 1iwe n VAL 369 N -3.53 0.04 -2.94 -1.35 0.24 -1.26 -1.91 118.33 107.62 1iwe n VAL 369 Ca 0.03 -0.52 -0.40 0.00 -2.04 0.00 0.00 64.34 61.40 1iwe n VAL 369 Cb 0.43 1.37 -0.04 0.00 -1.47 0.00 0.00 33.84 34.13 1iwe n VAL 369 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1iwe s LEU 370 N -1.61 4.31 0.25 1.34 1.43 -0.92 -4.88 118.68 118.59 1iwe s LEU 370 Ca 0.24 1.30 0.02 0.00 -1.03 0.00 0.00 54.13 54.65 1iwe s LEU 370 Cb 0.17 -3.22 0.29 0.00 0.03 0.00 0.00 46.19 43.46 1iwe s LEU 370 CO 0.25 -0.19 1.62 0.28 0.23 0.00 0.00 176.35 178.54 1iwe h SER 371 N 6.85 0.45 -4.94 2.29 0.02 -1.92 -3.36 113.55 112.94 1iwe h SER 371 Ca -0.39 -0.20 -0.19 0.00 -0.84 0.00 0.00 61.79 60.16 1iwe h SER 371 Cb 1.19 -0.13 -0.21 0.00 0.14 0.00 0.00 62.40 63.40 1iwe h SER 371 CO 0.76 0.83 -0.71 -1.83 -1.14 0.00 0.00 176.83 174.75 1iwe s GLU 372 N -4.14 0.37 -0.09 3.45 -1.05 -1.26 -0.83 118.70 115.15 1iwe s GLU 372 Ca -0.06 -0.67 -0.01 0.00 -0.15 0.00 0.00 54.97 54.08 1iwe s GLU 372 Cb 0.13 0.02 0.03 0.00 -0.44 0.00 0.00 34.13 33.86 1iwe s GLU 372 CO 0.80 -0.03 -0.04 0.42 0.95 0.00 0.00 175.26 177.36 1iwe s ILE 373 N -1.54 0.76 0.15 1.83 1.01 -0.23 -4.81 121.20 118.36 1iwe s ILE 373 Ca -0.14 -0.12 -0.05 0.00 0.00 0.00 0.00 60.65 60.34 1iwe s ILE 373 Cb -0.09 -0.83 -0.06 0.00 0.01 0.00 0.00 42.46 41.49 1iwe s ILE 373 CO -0.01 0.32 0.39 -0.54 0.00 0.00 0.00 174.94 175.10 1iwe s LYS 374 N 1.78 3.64 -0.04 2.79 1.02 -1.26 -0.97 119.74 126.70 1iwe s LYS 374 Ca 0.04 -0.05 -0.01 0.00 0.02 0.00 0.00 55.97 55.97 1iwe s LYS 374 Cb -0.12 -2.83 0.03 0.00 -0.52 0.00 0.00 37.83 34.39 1iwe s LYS 374 CO -0.07 0.46 0.08 0.54 -0.92 0.00 0.00 175.35 175.44 1iwe s VAL 375 N -1.67 -0.06 0.07 3.17 0.11 -0.94 -3.98 120.40 117.11 1iwe s VAL 375 Ca 0.41 0.21 -0.31 0.00 -2.93 0.00 0.00 61.98 59.37 1iwe s VAL 375 Cb -0.12 -0.15 -0.07 0.00 -1.53 0.00 0.00 36.38 34.51 1iwe s VAL 375 CO 0.24 0.09 1.36 -0.83 -3.33 0.00 0.00 175.10 172.62 1iwe s GLY 376 N 1.16 2.02 -0.01 6.54 0.00 0.31 -2.20 107.32 115.14 1iwe s GLY 376 Ca -0.09 0.99 0.09 0.00 0.00 0.00 0.00 44.72 45.72 1iwe s GLY 376 CO -0.04 2.34 0.29 0.29 0.00 0.00 0.00 173.10 175.97 1iwe n ILE 377 N 4.17 0.00 -3.56 0.90 -5.35 0.12 -0.64 119.36 115.00 1iwe n ILE 377 Ca 0.11 -0.25 -0.07 0.00 -0.27 0.00 0.00 62.75 62.28 1iwe n ILE 377 Cb 0.43 0.60 -0.02 0.00 -1.74 0.00 0.00 39.64 38.92 1iwe n ILE 377 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1iwe s SER 378 N -2.53 -0.28 -0.13 7.28 1.04 -1.22 -4.68 113.70 113.17 1iwe s SER 378 Ca -0.00 -0.06 -0.02 0.00 0.48 0.00 0.00 55.95 56.35 1iwe s SER 378 Cb 0.06 0.34 -0.02 0.00 0.10 0.00 0.00 66.02 66.50 1iwe s SER 378 CO 0.38 -0.56 -0.07 -0.31 0.98 0.00 0.00 173.24 173.66 1iwe s TYR 379 N -2.97 2.95 -0.10 5.02 2.02 -1.26 -0.76 117.35 122.25 1iwe s TYR 379 Ca 0.07 -0.33 -0.03 0.00 -0.37 0.00 0.00 57.07 56.41 1iwe s TYR 379 Cb -0.01 -1.88 -0.03 0.00 -0.40 0.00 0.00 41.96 39.64 1iwe s TYR 379 CO -0.07 -0.01 0.01 0.15 -1.57 0.00 0.00 175.55 174.06 1iwe s LYS 380 N 0.15 3.15 -0.15 -0.62 1.02 0.12 -1.80 119.74 121.60 1iwe s LYS 380 Ca -0.03 -0.40 0.01 0.00 0.02 0.00 0.00 55.97 55.58 1iwe s LYS 380 Cb -0.14 -2.86 0.02 0.00 -0.52 0.00 0.00 37.83 34.33 1iwe s LYS 380 CO 0.03 0.63 -0.18 -1.17 -0.92 0.00 0.00 175.35 173.75 1iwe s LEU 381 N -0.68 1.94 -1.57 3.17 2.96 0.50 0.63 118.68 125.62 1iwe s LEU 381 Ca 0.11 -0.56 -0.15 0.00 -0.22 0.00 0.00 54.13 53.31 1iwe s LEU 381 Cb -0.12 -1.33 0.11 0.00 0.50 0.00 0.00 46.19 45.36 1iwe s LEU 381 CO 0.02 0.00 0.85 0.59 -1.32 0.00 0.00 176.35 176.50 1iwe n ASN 382 N 4.48 -4.19 0.00 3.68 3.02 -1.26 -1.12 115.26 119.87 1iwe n ASN 382 Ca -0.19 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 1iwe n ASN 382 Cb 0.51 -3.38 0.00 0.00 -0.61 0.00 0.00 39.78 36.30 1iwe n ASN 382 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iwe n GLY 383 N -1.51 1.97 3.29 7.41 0.00 -1.26 -5.03 105.19 110.06 1iwe n GLY 383 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1iwe n GLY 383 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iwe s LYS 384 N -0.34 2.60 0.28 1.61 3.01 -0.28 -5.02 119.74 121.61 1iwe s LYS 384 Ca 0.00 -0.87 -0.30 0.00 -1.01 0.00 0.00 55.97 53.79 1iwe s LYS 384 Cb 0.00 -2.21 -0.11 0.00 -1.01 0.00 0.00 37.83 34.50 1iwe s LYS 384 CO 0.00 0.39 1.57 1.03 0.51 0.00 0.00 175.35 178.85 1iwe s ARG 385 N -0.18 4.15 0.26 1.68 0.52 -1.26 -0.37 118.95 123.75 1iwe s ARG 385 Ca -0.03 2.53 -0.11 0.00 -0.52 0.00 0.00 55.73 57.60 1iwe s ARG 385 Cb -0.14 -3.04 -0.08 0.00 0.52 0.00 0.00 34.95 32.22 1iwe s ARG 385 CO 0.04 -0.59 0.61 0.96 0.02 0.00 0.00 175.30 176.33 1iwe s ILE 386 N 0.01 4.85 -0.01 1.52 -4.36 -0.74 -4.89 121.20 117.57 1iwe s ILE 386 Ca 0.63 0.61 0.19 0.00 -0.26 0.00 0.00 60.65 61.82 1iwe s ILE 386 Cb -0.47 -3.62 0.15 0.00 1.25 0.00 0.00 42.46 39.78 1iwe s ILE 386 CO 0.47 -0.13 1.64 1.55 0.24 0.00 0.00 174.94 178.72 1iwe h PRO 387 N 2.39 0.00 -3.43 0.37 0.13 -1.94 -3.45 132.00 126.08 1iwe h PRO 387 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1iwe h PRO 387 Cb 1.17 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 1iwe h PRO 387 CO 0.68 0.35 -0.01 1.52 -0.23 0.00 0.00 178.00 180.30 1iwe s TYR 388 N -3.34 0.11 0.15 1.56 1.13 -1.26 -5.12 117.35 110.58 1iwe s TYR 388 Ca 0.02 -0.48 -0.31 0.00 -1.41 0.00 0.00 57.07 54.89 1iwe s TYR 388 Cb 0.09 0.34 -0.10 0.00 -1.10 0.00 0.00 41.96 41.19 1iwe s TYR 388 CO 0.69 -1.01 1.72 0.12 -2.51 0.00 0.00 175.55 174.56 1iwe s PHE 389 N -3.95 2.61 0.33 -3.49 5.36 -1.26 -4.95 117.98 112.62 1iwe s PHE 389 Ca 0.16 0.27 -0.27 0.00 -0.96 0.00 0.00 56.93 56.13 1iwe s PHE 389 Cb -0.02 -4.08 -0.09 0.00 -0.34 0.00 0.00 43.02 38.49 1iwe s PHE 389 CO 0.05 -4.25 1.03 -1.25 -1.46 0.00 0.00 175.22 169.33 1iwe s PRO 390 N 1.92 4.49 0.14 10.12 0.04 -1.26 -4.98 135.00 145.47 1iwe s PRO 390 Ca 0.76 1.55 -0.06 0.00 0.04 0.00 0.00 61.00 63.29 1iwe s PRO 390 Cb -0.46 -2.89 -0.06 0.00 0.04 0.00 0.00 34.50 31.14 1iwe s PRO 390 CO 0.33 0.15 1.35 0.00 0.04 0.00 0.00 177.00 178.87 1iwe h ALA 391 N 3.26 0.43 -1.64 8.56 0.00 -1.97 -3.40 119.26 124.50 1iwe h ALA 391 Ca -0.47 -0.64 -0.58 0.00 0.00 0.00 0.00 54.91 53.22 1iwe h ALA 391 Cb 1.21 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.87 1iwe h ALA 391 CO 0.65 0.75 0.80 1.21 0.00 0.00 0.00 179.25 182.66 1iwe s ASN 392 N -7.06 6.34 0.65 0.00 3.84 -1.26 -4.81 114.94 112.64 1iwe s ASN 392 Ca -0.07 -0.24 0.36 0.00 0.21 0.00 0.00 52.86 53.13 1iwe s ASN 392 Cb 0.09 -2.50 2.01 0.00 -0.55 0.00 0.00 41.25 40.31 1iwe s ASN 392 CO 0.87 -1.44 2.18 -0.61 -2.79 0.00 0.00 177.10 175.31 1iwe h GLN 393 N 9.53 0.00 -0.54 0.43 -0.00 -1.79 -1.75 115.11 121.00 1iwe h GLN 393 Ca -0.26 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.31 1iwe h GLN 393 Cb 1.06 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.52 1iwe h GLN 393 CO 1.16 0.00 0.03 0.93 0.00 0.00 0.00 178.83 180.95 1iwe h GLU 394 N 0.00 0.93 -0.69 1.69 4.39 -1.92 -2.16 114.58 116.82 1iwe h GLU 394 Ca 0.02 -0.28 0.04 0.00 0.34 0.00 0.00 59.36 59.48 1iwe h GLU 394 Cb 0.30 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 1iwe h GLU 394 CO -0.00 0.93 0.46 0.82 -1.16 0.00 0.00 179.01 180.06 1iwe h ILE 395 N 0.81 1.08 0.00 3.13 2.04 -1.73 0.77 117.51 123.62 1iwe h ILE 395 Ca 0.16 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1iwe h ILE 395 Cb 0.49 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1iwe h ILE 395 CO 0.02 0.15 0.00 0.25 0.00 0.00 0.00 178.15 178.57 1iwe h LEU 396 N 0.80 0.00 0.00 1.44 5.85 -1.42 -1.03 115.31 120.96 1iwe h LEU 396 Ca 0.28 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 1iwe h LEU 396 Cb 0.11 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 1iwe h LEU 396 CO -0.08 0.00 -0.26 1.56 -0.34 0.00 0.00 178.44 179.32 1iwe h GLN 397 N 0.00 0.00 -0.00 1.25 1.08 -0.72 -3.32 115.11 113.40 1iwe h GLN 397 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1iwe h GLN 397 Cb 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1iwe h GLN 397 CO 0.00 0.14 -0.94 1.63 -0.95 0.00 0.00 178.83 178.70 1iwe n LYS 398 N -3.09 0.24 -1.43 1.46 5.02 -0.41 -5.00 118.16 114.96 1iwe n LYS 398 Ca 0.03 -0.06 -0.33 0.00 -2.02 0.00 0.00 58.31 55.93 1iwe n LYS 398 Cb 0.59 -1.47 0.09 0.00 -0.02 0.00 0.00 35.03 34.22 1iwe n LYS 398 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1iwe s VAL 399 N -2.92 2.76 -0.18 -0.18 -7.23 -1.10 -4.75 120.40 106.81 1iwe s VAL 399 Ca 0.08 0.33 0.01 0.00 -1.81 0.00 0.00 61.98 60.59 1iwe s VAL 399 Cb 0.16 -2.80 0.02 0.00 0.56 0.00 0.00 36.38 34.32 1iwe s VAL 399 CO 0.83 -0.24 -0.19 -0.70 -0.31 0.00 0.00 175.10 174.48 1iwe s GLU 400 N -4.22 3.01 0.06 4.82 2.12 0.20 -4.90 118.70 119.80 1iwe s GLU 400 Ca 0.69 -0.82 -0.30 0.00 0.36 0.00 0.00 54.97 54.89 1iwe s GLU 400 Cb -0.23 -2.58 -0.05 0.00 0.26 0.00 0.00 34.13 31.53 1iwe s GLU 400 CO 0.47 -0.20 1.10 0.08 -0.54 0.00 0.00 175.26 176.18 1iwe s VAL 401 N 1.26 4.30 -0.24 3.70 1.01 -1.26 0.12 120.40 129.29 1iwe s VAL 401 Ca 0.04 1.71 -0.19 0.00 0.00 0.00 0.00 61.98 63.54 1iwe s VAL 401 Cb -0.13 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 1iwe s VAL 401 CO -0.12 0.16 0.54 -0.70 0.00 0.00 0.00 175.10 174.99 1iwe s GLU 402 N 0.78 4.12 0.11 2.72 2.12 0.06 -4.94 118.70 123.66 1iwe s GLU 402 Ca 0.55 0.40 0.06 0.00 0.36 0.00 0.00 54.97 56.34 1iwe s GLU 402 Cb -0.26 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 1iwe s GLU 402 CO 0.30 -0.30 -0.02 0.71 -0.54 0.00 0.00 175.26 175.41 1iwe s TYR 403 N 2.13 2.92 -0.12 5.30 2.02 -1.26 -0.70 117.35 127.64 1iwe s TYR 403 Ca 0.23 -0.07 0.01 0.00 -0.37 0.00 0.00 57.07 56.88 1iwe s TYR 403 Cb -0.16 -1.49 -0.01 0.00 -0.40 0.00 0.00 41.96 39.90 1iwe s TYR 403 CO 0.09 0.48 -0.16 -2.00 -1.57 0.00 0.00 175.55 172.39 1iwe s GLU 404 N -2.42 3.24 -0.38 -0.62 2.12 -0.94 -4.94 118.70 114.77 1iwe s GLU 404 Ca 0.25 -0.74 -0.13 0.00 0.36 0.00 0.00 54.97 54.71 1iwe s GLU 404 Cb -0.11 -2.52 0.01 0.00 0.26 0.00 0.00 34.13 31.77 1iwe s GLU 404 CO 0.18 0.23 0.25 0.99 -0.54 0.00 0.00 175.26 176.37 1iwe s THR 405 N 0.29 5.07 0.20 -1.70 2.01 -1.26 -2.21 115.64 118.05 1iwe s THR 405 Ca -0.12 -0.57 -0.00 0.00 0.31 0.00 0.00 61.69 61.31 1iwe s THR 405 Cb -0.16 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 1iwe s THR 405 CO 0.06 -0.19 0.39 -0.76 -0.69 0.00 0.00 174.62 173.43 1iwe s LEU 406 N 1.66 4.23 0.32 4.42 1.43 -0.14 -4.91 118.68 125.69 1iwe s LEU 406 Ca 0.05 0.37 -0.28 0.00 -1.03 0.00 0.00 54.13 53.24 1iwe s LEU 406 Cb -0.18 -3.14 -0.09 0.00 0.03 0.00 0.00 46.19 42.80 1iwe s LEU 406 CO 0.09 -0.05 1.11 -2.16 0.23 0.00 0.00 176.35 175.57 1iwe s PRO 407 N -3.38 4.47 0.67 1.29 0.04 -1.26 -1.07 135.00 135.76 1iwe s PRO 407 Ca 0.38 1.77 -0.05 0.00 0.04 0.00 0.00 61.00 63.14 1iwe s PRO 407 Cb -0.11 -3.00 0.05 0.00 0.04 0.00 0.00 34.50 31.49 1iwe s PRO 407 CO 0.29 0.07 0.96 0.20 0.04 0.00 0.00 177.00 178.56 1iwe s GLY 408 N -1.02 1.72 -0.01 0.56 0.00 -0.01 -4.72 107.32 103.83 1iwe s GLY 408 Ca 0.49 -1.01 0.17 0.00 0.00 0.00 0.00 44.72 44.37 1iwe s GLY 408 CO 0.39 -0.63 0.54 -2.67 0.00 0.00 0.00 173.10 170.73 1iwe n TRP 409 N -2.79 0.00 -3.94 1.90 2.14 -1.26 -4.88 117.44 108.61 1iwe n TRP 409 Ca 0.08 0.00 -0.36 0.00 2.07 0.00 0.00 57.50 59.29 1iwe n TRP 409 Cb 0.60 -0.20 0.01 0.00 -0.81 0.00 0.00 31.31 30.91 1iwe n TRP 409 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 1iwe n LYS 410 N -1.75 -0.63 -3.54 -2.67 5.02 -1.15 -4.95 118.16 108.50 1iwe n LYS 410 Ca -0.00 0.20 -0.16 0.00 -2.02 0.00 0.00 58.31 56.33 1iwe n LYS 410 Cb 0.36 -2.04 -0.05 0.00 -0.02 0.00 0.00 35.03 33.27 1iwe n LYS 410 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iwe s ALA 411 N -3.43 -1.56 -0.20 7.82 0.00 -0.80 -4.99 121.76 118.59 1iwe s ALA 411 Ca 0.31 0.95 -0.27 0.00 0.00 0.00 0.00 51.96 52.94 1iwe s ALA 411 Cb -0.17 0.23 -0.00 0.00 0.00 0.00 0.00 23.12 23.18 1iwe s ALA 411 CO 0.85 -0.45 0.92 0.34 0.00 0.00 0.00 175.76 177.42 1iwe s ASP 412 N -1.62 7.01 0.00 0.00 3.68 -1.26 -4.61 116.67 119.87 1iwe s ASP 412 Ca -0.08 1.25 0.11 0.00 2.13 0.00 0.00 52.55 55.96 1iwe s ASP 412 Cb -0.01 -2.49 0.19 0.00 -1.45 0.00 0.00 42.92 39.16 1iwe s ASP 412 CO 0.03 -0.53 1.04 0.35 0.13 0.00 0.00 175.17 176.20 1iwe n THR 413 N 5.04 0.43 0.29 1.71 -2.24 -1.26 -4.63 114.28 113.62 1iwe n THR 413 Ca 0.08 -0.72 0.18 0.00 -2.27 0.00 0.00 64.05 61.32 1iwe n THR 413 Cb 0.48 0.92 0.97 0.00 -2.10 0.00 0.00 70.33 70.60 1iwe n THR 413 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1iwe h THR 414 N 2.20 0.32 -0.00 4.28 1.35 -1.92 -1.28 112.91 117.86 1iwe h THR 414 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1iwe h THR 414 Cb 0.59 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1iwe h THR 414 CO 0.00 0.00 -0.47 0.61 -0.25 0.00 0.00 175.52 175.41 1iwe n GLY 415 N -1.27 -0.93 3.74 5.82 0.00 -1.26 -4.75 105.19 106.54 1iwe n GLY 415 Ca -0.02 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1iwe n GLY 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iwe n ALA 416 N -1.12 2.36 -0.06 4.61 0.00 -0.48 -4.89 120.51 120.92 1iwe n ALA 416 Ca 0.08 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1iwe n ALA 416 Cb 0.35 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.36 1iwe n ALA 416 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1iwe n ARG 417 N 2.06 3.03 -4.07 0.00 5.12 -1.26 -4.88 116.66 116.66 1iwe n ARG 417 Ca 0.09 -0.03 -0.07 0.00 -1.93 0.00 0.00 57.85 55.90 1iwe n ARG 417 Cb 0.36 -0.32 -0.10 0.00 -1.16 0.00 0.00 32.46 31.25 1iwe n ARG 417 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 1iwe s LYS 418 N -0.44 0.68 0.23 5.56 -2.85 -1.26 -4.77 119.74 116.88 1iwe s LYS 418 Ca 0.00 -1.21 -0.07 0.00 -1.00 0.00 0.00 55.97 53.69 1iwe s LYS 418 Cb 0.00 0.23 0.37 0.00 -2.06 0.00 0.00 37.83 36.37 1iwe s LYS 418 CO 0.00 -0.15 1.72 2.35 0.10 0.00 0.00 175.35 179.37 1iwe h TRP 419 N 3.07 0.35 0.00 1.78 2.91 -1.95 -1.49 115.95 120.62 1iwe h TRP 419 Ca -0.34 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.72 1iwe h TRP 419 Cb 1.15 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.75 1iwe h TRP 419 CO 0.51 0.02 0.00 0.93 -1.03 0.00 0.00 178.44 178.86 1iwe h GLU 420 N 0.35 0.00 0.00 2.65 3.07 -2.01 -1.48 114.58 117.16 1iwe h GLU 420 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 1iwe h GLU 420 Cb 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1iwe h GLU 420 CO -0.40 0.00 0.00 -0.44 -1.40 0.00 0.00 179.01 176.77 1iwe h ASP 421 N 0.00 0.00 -3.45 1.42 3.32 -1.68 -3.44 116.42 112.59 1iwe h ASP 421 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1iwe h ASP 421 Cb 0.14 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1iwe h ASP 421 CO 0.00 0.00 0.33 -0.76 -1.72 0.00 0.00 179.24 177.09 1iwe s LEU 422 N -5.21 4.40 0.81 1.55 1.43 -0.56 -4.86 118.68 116.25 1iwe s LEU 422 Ca 0.05 1.64 -0.12 0.00 -1.03 0.00 0.00 54.13 54.67 1iwe s LEU 422 Cb 0.09 -3.51 0.09 0.00 0.03 0.00 0.00 46.19 42.89 1iwe s LEU 422 CO 0.52 -0.18 1.16 -2.16 0.23 0.00 0.00 176.35 175.92 1iwe s PRO 423 N 0.67 1.69 0.26 1.29 0.04 -1.26 -4.70 135.00 132.99 1iwe s PRO 423 Ca 0.49 1.56 -0.05 0.00 0.04 0.00 0.00 61.00 63.03 1iwe s PRO 423 Cb -0.21 -1.80 0.50 0.00 0.04 0.00 0.00 34.50 33.03 1iwe s PRO 423 CO 0.27 -2.13 1.63 -1.35 0.04 0.00 0.00 177.00 175.47 1iwe h PRO 424 N -1.11 0.12 -0.05 0.56 0.11 -1.95 -1.41 132.00 128.26 1iwe h PRO 424 Ca -0.45 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 1iwe h PRO 424 Cb 1.27 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1iwe h PRO 424 CO 0.47 0.08 -0.49 1.96 -0.21 0.00 0.00 178.00 179.81 1iwe h GLN 425 N 0.12 0.13 -0.51 1.05 7.50 -1.91 -1.18 115.11 120.32 1iwe h GLN 425 Ca 0.45 -0.07 -0.12 0.00 0.50 0.00 0.00 58.65 59.40 1iwe h GLN 425 Cb 0.82 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.34 1iwe h GLN 425 CO -0.68 0.59 -0.17 0.00 -1.50 0.00 0.00 178.83 177.08 1iwe h ALA 426 N 1.40 0.71 -0.68 3.87 0.00 -1.62 -1.41 119.26 121.52 1iwe h ALA 426 Ca 0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1iwe h ALA 426 Cb 0.90 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1iwe h ALA 426 CO 0.07 0.67 0.22 1.96 0.00 0.00 0.00 179.25 182.16 1iwe h GLN 427 N 0.88 1.04 -0.62 0.00 4.20 -1.01 -2.04 115.11 117.57 1iwe h GLN 427 Ca 0.12 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 1iwe h GLN 427 Cb 0.74 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1iwe h GLN 427 CO 0.06 0.89 0.07 0.77 -0.67 0.00 0.00 178.83 179.95 1iwe h SER 428 N 1.01 0.99 -0.34 1.46 0.02 -0.92 -1.30 113.55 114.47 1iwe h SER 428 Ca 0.22 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1iwe h SER 428 Cb 0.28 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1iwe h SER 428 CO -0.01 1.01 0.21 0.22 -1.14 0.00 0.00 176.83 177.12 1iwe h TYR 429 N 0.96 0.40 -0.29 3.45 3.20 -0.75 0.42 116.97 124.37 1iwe h TYR 429 Ca 0.19 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.08 1iwe h TYR 429 Cb 0.46 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 1iwe h TYR 429 CO 0.03 0.25 0.16 0.28 -1.64 0.00 0.00 178.16 177.24 1iwe h VAL 430 N 0.44 1.02 -0.43 1.81 2.07 -1.04 -2.16 116.25 117.96 1iwe h VAL 430 Ca 0.13 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 1iwe h VAL 430 Cb -0.04 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1iwe h VAL 430 CO -0.04 0.06 0.04 0.03 0.02 0.00 0.00 177.57 177.68 1iwe h ARG 431 N 0.33 0.68 -0.31 1.57 3.08 -0.89 -2.16 114.38 116.69 1iwe h ARG 431 Ca 0.11 -0.15 0.05 0.00 0.07 0.00 0.00 59.98 60.06 1iwe h ARG 431 Cb 0.01 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 29.91 1iwe h ARG 431 CO -0.06 0.67 0.04 0.35 -1.07 0.00 0.00 179.97 179.90 1iwe h PHE 432 N 0.65 0.05 -0.29 3.04 3.57 0.47 0.27 116.94 124.69 1iwe h PHE 432 Ca 0.14 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1iwe h PHE 432 Cb 0.35 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1iwe h PHE 432 CO 0.02 -0.01 0.08 0.28 -2.23 0.00 0.00 178.31 176.44 1iwe h VAL 433 N 0.14 1.21 -0.67 1.41 2.07 -1.25 -1.82 116.25 117.35 1iwe h VAL 433 Ca 0.15 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 67.02 1iwe h VAL 433 Cb 0.18 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 1iwe h VAL 433 CO -0.22 0.23 0.39 -0.08 0.02 0.00 0.00 177.57 177.91 1iwe h GLU 434 N 0.31 0.72 -0.26 1.57 4.81 -0.88 -0.60 114.58 120.26 1iwe h GLU 434 Ca 0.09 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.09 1iwe h GLU 434 Cb 0.28 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 1iwe h GLU 434 CO -0.00 0.48 -0.57 -0.91 -0.73 0.00 0.00 179.01 177.28 1iwe h ASN 435 N 0.74 0.90 1.70 1.04 2.35 -0.36 -1.70 115.58 120.25 1iwe h ASN 435 Ca 0.29 -0.49 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1iwe h ASN 435 Cb 0.12 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1iwe h ASN 435 CO -0.15 1.27 0.00 0.45 -1.65 0.00 0.00 177.43 177.35 1iwe h HIS 436 N 0.61 0.00 0.00 1.19 3.86 -1.11 -3.22 115.15 116.48 1iwe h HIS 436 Ca 0.01 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.92 1iwe h HIS 436 Cb 1.17 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.59 1iwe h HIS 436 CO 0.07 0.00 -1.76 -1.33 0.86 0.00 0.00 177.93 175.77 1iwe n MET 437 N -3.00 0.64 -1.06 2.45 2.81 -0.25 -4.95 117.12 113.76 1iwe n MET 437 Ca 0.03 0.28 -0.02 0.00 -1.81 0.00 0.00 57.70 56.18 1iwe n MET 437 Cb 0.46 -1.77 -0.01 0.00 -0.71 0.00 0.00 33.22 31.19 1iwe n MET 437 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1iwe n GLY 438 N 1.57 0.55 3.04 3.03 0.00 -0.64 -5.01 105.19 107.73 1iwe n GLY 438 Ca -0.18 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 1iwe n GLY 438 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iwe s VAL 439 N -1.99 1.11 0.36 1.61 1.01 -1.19 -5.07 120.40 116.25 1iwe s VAL 439 Ca 0.00 -0.50 -0.27 0.00 0.00 0.00 0.00 61.98 61.21 1iwe s VAL 439 Cb 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 35.29 1iwe s VAL 439 CO 0.00 0.34 1.24 0.00 0.00 0.00 0.00 175.10 176.69 1iwe s ALA 440 N 0.42 3.34 -0.27 5.51 0.00 -1.26 -4.50 121.76 125.00 1iwe s ALA 440 Ca -0.09 1.13 -0.18 0.00 0.00 0.00 0.00 51.96 52.82 1iwe s ALA 440 Cb -0.13 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 1iwe s ALA 440 CO 0.03 -0.59 0.52 0.08 0.00 0.00 0.00 175.76 175.79 1iwe s VAL 441 N -1.24 5.06 -0.12 0.00 1.01 -1.26 0.15 120.40 124.00 1iwe s VAL 441 Ca 0.52 0.83 0.17 0.00 0.00 0.00 0.00 61.98 63.50 1iwe s VAL 441 Cb -0.36 -3.84 -0.23 0.00 0.00 0.00 0.00 36.38 31.95 1iwe s VAL 441 CO 0.47 0.05 0.46 1.17 0.00 0.00 0.00 175.10 177.25 1iwe n LYS 442 N 5.57 0.65 -4.09 2.72 4.81 0.68 -4.72 118.16 123.78 1iwe n LYS 442 Ca -0.04 0.11 -0.14 0.00 -0.87 0.00 0.00 58.31 57.37 1iwe n LYS 442 Cb 0.50 -1.66 -0.12 0.00 0.02 0.00 0.00 35.03 33.76 1iwe n LYS 442 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1iwe s TRP 443 N -2.73 0.62 -0.09 5.64 0.51 -1.18 0.26 118.94 121.98 1iwe s TRP 443 Ca -0.07 -0.39 -0.01 0.00 -2.12 0.00 0.00 56.10 53.52 1iwe s TRP 443 Cb 0.08 -0.38 0.03 0.00 -0.81 0.00 0.00 33.47 32.39 1iwe s TRP 443 CO 0.83 -0.06 -0.04 0.08 -0.51 0.00 0.00 176.95 177.25 1iwe s VAL 444 N -1.04 0.72 -0.14 4.03 1.01 -0.61 -0.96 120.40 123.42 1iwe s VAL 444 Ca -0.07 -0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.64 1iwe s VAL 444 Cb -0.08 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1iwe s VAL 444 CO 0.00 0.32 0.43 -0.83 0.00 0.00 0.00 175.10 175.02 1iwe s GLY 445 N 1.78 2.32 -0.03 4.51 0.00 0.95 -0.91 107.32 115.95 1iwe s GLY 445 Ca 0.04 -0.28 0.04 0.00 0.00 0.00 0.00 44.72 44.52 1iwe s GLY 445 CO -0.06 0.71 0.94 3.33 0.00 0.00 0.00 173.10 178.02 1iwe n VAL 446 N 3.74 0.94 -2.69 1.40 0.24 -1.21 -1.28 118.33 119.47 1iwe n VAL 446 Ca -0.08 -1.01 0.00 0.00 -2.04 0.00 0.00 64.34 61.21 1iwe n VAL 446 Cb 0.52 0.44 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 1iwe n VAL 446 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iwe n GLY 447 N -0.57 2.14 0.00 7.63 0.00 -1.26 -3.98 105.19 109.15 1iwe n GLY 447 Ca 0.03 -0.85 0.05 0.00 0.00 0.00 0.00 46.02 45.26 1iwe n GLY 447 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1iwe n LYS 448 N 0.00 1.15 -2.52 1.61 4.81 -1.26 -4.82 118.16 117.12 1iwe n LYS 448 Ca 0.00 -0.07 -0.30 0.00 -0.87 0.00 0.00 58.31 57.07 1iwe n LYS 448 Cb 0.00 -1.19 -0.01 0.00 0.02 0.00 0.00 35.03 33.84 1iwe n LYS 448 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1iwe s SER 449 N -2.94 6.38 0.57 3.14 1.04 -1.26 -4.35 113.70 116.28 1iwe s SER 449 Ca -0.02 1.17 0.26 0.00 0.48 0.00 0.00 55.95 57.84 1iwe s SER 449 Cb 0.07 -2.35 1.57 0.00 0.10 0.00 0.00 66.02 65.41 1iwe s SER 449 CO 0.45 -0.58 2.11 -0.09 0.98 0.00 0.00 173.24 176.11 1iwe h ARG 450 N 0.54 0.00 0.00 4.02 2.43 -1.95 -0.27 114.38 119.16 1iwe h ARG 450 Ca -0.46 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.61 1iwe h ARG 450 Cb 1.19 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1iwe h ARG 450 CO 0.62 0.00 -0.46 1.49 -1.51 0.00 0.00 179.97 180.12 1iwe h GLU 451 N 0.00 0.00 -0.24 0.20 4.81 -1.93 -3.30 114.58 114.13 1iwe h GLU 451 Ca 0.09 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.38 1iwe h GLU 451 Cb 0.44 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1iwe h GLU 451 CO -0.00 0.46 0.17 0.77 -0.73 0.00 0.00 179.01 179.68 1iwe h SER 452 N 0.00 0.05 -4.01 1.04 0.02 -1.38 -3.43 113.55 105.84 1iwe h SER 452 Ca -0.00 -0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 1iwe h SER 452 Cb 1.32 -0.01 0.11 0.00 0.14 0.00 0.00 62.40 63.96 1iwe h SER 452 CO 0.06 0.03 0.61 -0.04 -1.14 0.00 0.00 176.83 176.35 1iwe s MET 453 N -5.10 3.47 -0.25 3.45 -1.94 -1.24 -3.30 119.30 114.39 1iwe s MET 453 Ca -0.05 2.19 0.02 0.00 -1.71 0.00 0.00 55.69 56.14 1iwe s MET 453 Cb 0.18 -2.44 0.06 0.00 2.01 0.00 0.00 34.83 34.64 1iwe s MET 453 CO 0.70 -0.91 -0.09 0.42 -0.01 0.00 0.00 175.02 175.13 1iwe s ILE 454 N -1.31 1.90 0.02 2.53 1.01 -0.09 -4.94 121.20 120.32 1iwe s ILE 454 Ca 0.66 -1.47 -0.30 0.00 0.00 0.00 0.00 60.65 59.54 1iwe s ILE 454 Cb -0.39 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.95 1iwe s ILE 454 CO 0.48 -0.06 1.22 -1.58 0.00 0.00 0.00 174.94 175.00 1iwe s GLN 455 N 1.22 4.39 -0.02 2.79 2.00 -1.26 -1.57 119.66 127.21 1iwe s GLN 455 Ca -0.08 1.76 0.19 0.00 -2.00 0.00 0.00 55.36 55.24 1iwe s GLN 455 Cb -0.20 -3.44 -0.26 0.00 0.80 0.00 0.00 33.01 29.91 1iwe s GLN 455 CO -0.06 -0.36 0.53 1.28 -0.50 0.00 0.00 175.29 176.19 1iwe n LEU 456 N 4.51 0.28 0.00 3.68 4.77 0.14 -4.79 117.00 125.58 1iwe n LEU 456 Ca 0.10 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1iwe n LEU 456 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1iwe n LEU 456 CO 0.56 0.07 0.00 2.22 -1.33 0.00 0.00 177.39 178.91