#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iwe h ALA 28 N 0.00 2.51 0.00 0.00 0.00 -2.02 0.55 119.26 120.30 1iwe h ALA 28 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1iwe h ALA 28 Cb 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1iwe h ALA 28 CO 0.00 -0.98 -0.18 1.79 0.00 0.00 0.00 179.25 179.88 1iwe h THR 29 N 0.00 0.93 0.00 0.00 1.35 -1.97 -3.49 112.91 109.73 1iwe h THR 29 Ca 0.33 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1iwe h THR 29 Cb 1.58 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1iwe h THR 29 CO -0.00 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 176.05 1iwe n GLY 30 N -0.83 0.71 3.79 5.82 0.00 0.19 -4.85 105.19 110.02 1iwe n GLY 30 Ca -0.02 -2.13 -0.30 0.00 0.00 0.00 0.00 46.02 43.57 1iwe n GLY 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iwe s SER 31 N 0.00 4.37 0.11 1.61 1.04 0.58 -4.84 113.70 116.57 1iwe s SER 31 Ca 0.00 1.41 0.08 0.00 0.48 0.00 0.00 55.95 57.92 1iwe s SER 31 Cb 0.00 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 63.93 1iwe s SER 31 CO 0.00 -2.06 -0.13 -0.13 0.98 0.00 0.00 173.24 171.90 1iwe s ARG 32 N -5.08 2.00 0.12 4.02 0.52 -1.26 -4.76 118.95 114.52 1iwe s ARG 32 Ca 0.61 -1.08 -0.05 0.00 -0.52 0.00 0.00 55.73 54.69 1iwe s ARG 32 Cb -0.15 -2.23 -0.05 0.00 0.52 0.00 0.00 34.95 33.03 1iwe s ARG 32 CO 0.55 0.50 0.36 0.14 0.02 0.00 0.00 175.30 176.87 1iwe s VAL 33 N -1.18 5.19 -0.15 3.52 -7.23 0.20 -4.51 120.40 116.24 1iwe s VAL 33 Ca 0.20 0.03 -0.08 0.00 -1.81 0.00 0.00 61.98 60.32 1iwe s VAL 33 Cb -0.11 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.17 1iwe s VAL 33 CO 0.12 0.08 0.12 -0.89 -0.31 0.00 0.00 175.10 174.23 1iwe s THR 34 N -1.61 5.36 0.01 5.32 2.01 -0.20 -0.94 115.64 125.58 1iwe s THR 34 Ca 0.39 0.16 0.07 0.00 0.31 0.00 0.00 61.69 62.62 1iwe s THR 34 Cb -0.12 -3.38 -0.02 0.00 0.01 0.00 0.00 72.50 68.99 1iwe s THR 34 CO 0.24 0.54 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.80 1iwe s VAL 35 N -0.42 1.76 -0.20 3.82 1.01 0.14 0.58 120.40 127.08 1iwe s VAL 35 Ca 0.12 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 61.04 1iwe s VAL 35 Cb -0.12 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 34.80 1iwe s VAL 35 CO 0.01 0.39 -0.17 -0.69 0.00 0.00 0.00 175.10 174.65 1iwe s VAL 36 N -0.63 2.21 0.12 2.92 1.01 -0.71 0.69 120.40 126.01 1iwe s VAL 36 Ca 0.09 -1.03 0.08 0.00 0.00 0.00 0.00 61.98 61.11 1iwe s VAL 36 Cb -0.09 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1iwe s VAL 36 CO 0.00 0.42 -0.20 -0.76 0.00 0.00 0.00 175.10 174.56 1iwe s LEU 37 N 1.27 2.35 0.06 3.92 1.43 0.11 -1.13 118.68 126.70 1iwe s LEU 37 Ca 0.02 -0.75 -0.29 0.00 -1.03 0.00 0.00 54.13 52.08 1iwe s LEU 37 Cb -0.14 -0.85 -0.05 0.00 0.03 0.00 0.00 46.19 45.18 1iwe s LEU 37 CO -0.11 0.02 0.93 -0.83 0.23 0.00 0.00 176.35 176.60 1iwe s GLY 38 N -2.18 2.94 0.00 -3.19 0.00 -1.26 0.15 107.32 103.78 1iwe s GLY 38 Ca 0.10 0.51 0.22 0.00 0.00 0.00 0.00 44.72 45.55 1iwe s GLY 38 CO 0.05 1.47 1.03 0.00 0.00 0.00 0.00 173.10 175.65 1iwe n ALA 39 N 3.16 4.14 -2.93 3.20 0.00 -0.97 -1.52 120.51 125.58 1iwe n ALA 39 Ca 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1iwe n ALA 39 Cb 0.50 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.89 0.00 6.02 -1.26 -4.63 117.38 115.78 1iwe n GLN 40 Ca 0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.98 1iwe n GLN 40 Cb 0.39 0.00 0.21 0.00 1.02 0.00 0.00 30.24 31.86 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 1.62 0.00 1.08 8.01 -1.26 -1.92 117.44 124.97 1iwe n TRP 41 Ca 0.00 -1.58 0.00 0.00 -1.31 0.00 0.00 57.50 54.61 1iwe n TRP 41 Cb 0.00 -0.60 0.00 0.00 -2.01 0.00 0.00 31.31 28.70 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 -1.02 -0.29 3.91 6.99 0.00 -1.26 -4.78 105.19 108.74 1iwe n GLY 42 Ca 0.39 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.97 -4.86 0.13 1.61 8.00 -1.26 -4.87 116.55 114.34 1iwe n ASP 43 Ca 0.00 -0.78 0.08 0.00 0.71 0.00 0.00 54.79 54.80 1iwe n ASP 43 Cb 0.00 -3.90 0.04 0.00 -0.02 0.00 0.00 41.12 37.24 1iwe n ASP 43 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1iwe h GLU 44 N -2.10 0.00 0.00 -1.24 3.07 -1.93 -3.48 114.58 108.90 1iwe h GLU 44 Ca -0.58 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.28 1iwe h GLU 44 Cb 1.38 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.29 1iwe h GLU 44 CO 0.67 0.15 0.00 0.41 -1.40 0.00 0.00 179.01 178.84 1iwe n GLY 45 N 1.20 0.98 0.17 -3.84 0.00 -1.26 -4.50 105.19 97.95 1iwe n GLY 45 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.31 -0.84 1.61 1.57 -1.91 -3.22 116.57 114.09 1iwe h LYS 46 Ca 0.00 -0.24 0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1iwe h LYS 46 Cb 0.00 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.28 1iwe h LYS 46 CO 0.00 0.87 0.47 0.78 -0.57 0.00 0.00 179.45 181.00 1iwe h GLY 47 N 1.43 1.32 0.90 3.86 0.00 -1.89 0.06 103.07 108.75 1iwe h GLY 47 Ca -0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1iwe h GLY 47 CO 0.11 0.10 0.10 1.70 0.00 0.00 0.00 176.54 178.55 1iwe h LYS 48 N 0.77 0.38 -0.50 4.80 3.64 -1.50 -0.66 116.57 123.50 1iwe h LYS 48 Ca 0.42 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.64 1iwe h LYS 48 Cb 0.43 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1iwe h LYS 48 CO -0.27 0.42 -0.03 0.28 -2.27 0.00 0.00 179.45 177.59 1iwe h VAL 49 N 0.26 1.27 0.09 2.00 2.07 -1.48 -1.58 116.25 118.88 1iwe h VAL 49 Ca 0.08 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 1iwe h VAL 49 Cb 0.19 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1iwe h VAL 49 CO -0.01 0.39 -0.04 0.58 0.02 0.00 0.00 177.57 178.51 1iwe h VAL 50 N 0.76 0.96 -0.62 2.57 2.07 -0.91 -1.61 116.25 119.46 1iwe h VAL 50 Ca 0.14 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 67.56 1iwe h VAL 50 Cb 0.55 1.08 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 1iwe h VAL 50 CO 0.03 0.04 0.28 -0.78 0.02 0.00 0.00 177.57 177.16 1iwe h ASP 51 N -0.21 0.34 -0.24 0.57 1.82 -1.05 0.82 116.42 118.48 1iwe h ASP 51 Ca -0.01 0.06 0.03 0.00 -0.39 0.00 0.00 57.03 56.71 1iwe h ASP 51 Cb 0.17 0.01 -0.03 0.00 0.68 0.00 0.00 39.33 40.16 1iwe h ASP 51 CO 0.02 0.21 0.07 0.25 -1.61 0.00 0.00 179.24 178.18 1iwe h LEU 52 N 0.50 0.07 -1.16 2.28 5.85 -1.05 -2.27 115.31 119.54 1iwe h LEU 52 Ca 0.30 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.05 1iwe h LEU 52 Cb 0.32 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1iwe h LEU 52 CO -0.26 0.07 0.00 -0.07 -0.34 0.00 0.00 178.44 177.84 1iwe h LEU 53 N 0.18 0.00 -0.41 2.25 3.38 -0.66 -3.20 115.31 116.85 1iwe h LEU 53 Ca 0.10 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 1iwe h LEU 53 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1iwe h LEU 53 CO -0.11 0.00 -0.43 0.00 0.09 0.00 0.00 178.44 177.99 1iwe h ALA 54 N 2.02 0.81 -1.50 1.53 0.00 -0.25 -3.36 119.26 118.50 1iwe h ALA 54 Ca 0.00 -0.39 0.48 0.00 0.00 0.00 0.00 54.91 55.00 1iwe h ALA 54 Cb 0.59 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.20 1iwe h ALA 54 CO 0.00 0.54 1.02 0.25 0.00 0.00 0.00 179.25 181.06 1iwe n THR 55 N -3.33 -0.15 -2.08 0.00 -2.24 -1.15 0.09 114.28 105.43 1iwe n THR 55 Ca 0.01 1.58 0.04 0.00 -2.27 0.00 0.00 64.05 63.40 1iwe n THR 55 Cb 0.63 -2.60 0.11 0.00 -2.10 0.00 0.00 70.33 66.38 1iwe n THR 55 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1iwe n ASP 56 N -4.28 1.48 -4.84 3.42 3.85 -1.26 -5.06 116.55 109.86 1iwe n ASP 56 Ca 0.39 -2.95 -0.37 0.00 -0.71 0.00 0.00 54.79 51.15 1iwe n ASP 56 Cb 1.63 -0.41 -0.06 0.00 -1.35 0.00 0.00 41.12 40.92 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 -1.76 3.66 0.05 2.12 0.00 0.11 -4.84 121.76 121.11 1iwe s ALA 57 Ca 0.36 -0.17 0.05 0.00 0.00 0.00 0.00 51.96 52.20 1iwe s ALA 57 Cb 0.38 -2.45 -0.24 0.00 0.00 0.00 0.00 23.12 20.81 1iwe s ALA 57 CO -0.11 0.47 1.02 -0.44 0.00 0.00 0.00 175.76 176.70 1iwe h ASP 58 N 4.34 0.14 -3.59 0.00 3.32 -1.26 -3.40 116.42 115.97 1iwe h ASP 58 Ca -0.50 -0.18 -0.26 0.00 0.02 0.00 0.00 57.03 56.11 1iwe h ASP 58 Cb 1.21 -0.04 -0.31 0.00 0.22 0.00 0.00 39.33 40.40 1iwe h ASP 58 CO 0.63 1.15 -0.68 -0.63 -1.72 0.00 0.00 179.24 177.99 1iwe s ILE 59 N -2.66 -0.04 -0.09 0.35 -1.09 -1.04 -1.88 121.20 114.75 1iwe s ILE 59 Ca -0.03 0.13 0.02 0.00 -2.23 0.00 0.00 60.65 58.54 1iwe s ILE 59 Cb 0.08 -0.11 0.01 0.00 -1.58 0.00 0.00 42.46 40.87 1iwe s ILE 59 CO 0.83 0.05 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.76 1iwe s VAL 60 N 0.70 1.44 0.05 2.92 1.01 -0.85 0.25 120.40 125.92 1iwe s VAL 60 Ca -0.06 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1iwe s VAL 60 Cb -0.08 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1iwe s VAL 60 CO -0.02 0.43 0.03 -0.94 0.00 0.00 0.00 175.10 174.59 1iwe s SER 61 N 0.82 0.35 -0.13 3.32 1.04 -0.02 -0.28 113.70 118.81 1iwe s SER 61 Ca -0.10 -0.82 -0.05 0.00 0.48 0.00 0.00 55.95 55.46 1iwe s SER 61 Cb -0.16 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 1iwe s SER 61 CO 0.01 -0.58 0.05 -0.13 0.98 0.00 0.00 173.24 173.57 1iwe s ARG 62 N -3.46 3.47 -0.01 4.02 1.81 -0.29 0.11 118.95 124.60 1iwe s ARG 62 Ca 0.03 -0.34 0.07 0.00 -1.72 0.00 0.00 55.73 53.76 1iwe s ARG 62 Cb 0.04 -3.02 -0.11 0.00 -0.45 0.00 0.00 34.95 31.41 1iwe s ARG 62 CO -0.08 0.53 0.15 0.00 -0.68 0.00 0.00 175.30 175.22 1iwe s GLN 64 N -2.46 1.48 0.37 0.00 -1.52 -1.26 -3.20 119.66 113.07 1iwe s GLN 64 Ca -0.02 -1.39 0.00 0.00 -1.95 0.00 0.00 55.36 51.99 1iwe s GLN 64 Cb 0.04 0.41 0.00 0.00 -0.22 0.00 0.00 33.01 33.25 1iwe s GLN 64 CO 0.28 -0.59 0.00 0.41 -0.25 0.00 0.00 175.29 175.15 1iwe n GLY 65 N -0.36 -2.18 0.00 3.09 0.00 -1.25 -4.71 105.19 99.77 1iwe n GLY 65 Ca -0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.77 5.86 2.44 -0.02 0.00 -1.26 -1.73 105.19 109.70 1iwe n GLY 66 Ca 0.00 -1.96 -0.36 0.00 0.00 0.00 0.00 46.02 43.70 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 7.74 -0.97 1.61 6.94 -1.26 -4.16 115.26 125.16 1iwe n ASN 67 Ca 0.00 -3.05 0.03 0.00 -0.02 0.00 0.00 54.58 51.55 1iwe n ASN 67 Cb 0.00 -1.37 0.04 0.00 -2.36 0.00 0.00 39.78 36.09 1iwe n ASN 67 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1iwe n ASN 68 N 1.86 0.83 0.12 0.53 6.94 -1.23 -4.62 115.26 119.68 1iwe n ASN 68 Ca 0.61 -2.27 -0.14 0.00 -0.02 0.00 0.00 54.58 52.77 1iwe n ASN 68 Cb 0.33 -0.30 -0.08 0.00 -2.36 0.00 0.00 39.78 37.37 1iwe n ASN 68 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1iwe h ALA 69 N 0.59 -0.24 -3.73 -2.53 0.00 -1.67 -3.46 119.26 108.23 1iwe h ALA 69 Ca -0.11 -0.08 -0.35 0.00 0.00 0.00 0.00 54.91 54.37 1iwe h ALA 69 Cb 1.58 0.09 0.05 0.00 0.00 0.00 0.00 17.79 19.50 1iwe h ALA 69 CO 0.05 -0.60 -0.51 0.41 0.00 0.00 0.00 179.25 178.60 1iwe n GLY 70 N -1.01 -0.34 3.74 0.00 0.00 -0.42 -4.75 105.19 102.42 1iwe n GLY 70 Ca -0.09 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1iwe n GLY 70 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1iwe s HIS 71 N -3.07 3.61 -0.16 1.61 3.76 -0.12 -4.80 115.29 116.13 1iwe s HIS 71 Ca 0.23 1.64 -0.04 0.00 -0.15 0.00 0.00 55.06 56.74 1iwe s HIS 71 Cb -0.10 -3.26 -0.03 0.00 1.11 0.00 0.00 32.58 30.30 1iwe s HIS 71 CO 0.29 -0.53 -0.03 0.99 -0.85 0.00 0.00 174.74 174.61 1iwe s THR 72 N -0.49 3.96 -0.09 1.30 2.01 -1.26 -1.30 115.64 119.77 1iwe s THR 72 Ca 0.48 -0.33 0.03 0.00 0.31 0.00 0.00 61.69 62.18 1iwe s THR 72 Cb -0.30 -2.74 0.01 0.00 0.01 0.00 0.00 72.50 69.47 1iwe s THR 72 CO 0.36 0.49 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.90 1iwe s VAL 73 N 0.40 1.68 -0.25 3.82 1.01 0.07 -2.58 120.40 124.55 1iwe s VAL 73 Ca -0.03 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1iwe s VAL 73 Cb -0.14 -1.48 0.06 0.00 0.00 0.00 0.00 36.38 34.82 1iwe s VAL 73 CO 0.03 0.48 -0.06 -0.69 0.00 0.00 0.00 175.10 174.85 1iwe s VAL 74 N 0.53 1.70 -0.01 2.92 1.01 -1.26 0.90 120.40 126.18 1iwe s VAL 74 Ca -0.16 -1.38 -0.01 0.00 0.00 0.00 0.00 61.98 60.44 1iwe s VAL 74 Cb -0.17 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.27 1iwe s VAL 74 CO 0.06 -0.12 0.03 -0.69 0.00 0.00 0.00 175.10 174.38 1iwe s VAL 75 N 1.31 -0.01 -1.40 2.92 1.01 -0.46 -2.33 120.40 121.44 1iwe s VAL 75 Ca -0.05 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 1iwe s VAL 75 Cb -0.19 -0.06 0.01 0.00 0.00 0.00 0.00 36.38 36.14 1iwe s VAL 75 CO -0.06 0.02 0.55 0.47 0.00 0.00 0.00 175.10 176.07 1iwe n ASP 76 N 3.33 -0.94 0.00 3.32 8.00 -1.26 -1.69 116.55 127.30 1iwe n ASP 76 Ca -0.16 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.40 1iwe n ASP 76 Cb 0.58 -3.38 0.00 0.00 -0.02 0.00 0.00 41.12 38.30 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 -1.82 2.14 3.80 0.44 0.00 -1.26 -4.98 105.19 103.52 1iwe n GLY 77 Ca -0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 1iwe n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iwe s LYS 78 N 0.00 4.07 -0.21 1.61 1.02 -0.68 -5.06 119.74 120.48 1iwe s LYS 78 Ca 0.00 1.28 0.01 0.00 0.02 0.00 0.00 55.97 57.28 1iwe s LYS 78 Cb 0.00 -2.23 0.05 0.00 -0.52 0.00 0.00 37.83 35.13 1iwe s LYS 78 CO 0.00 -0.19 -0.08 -2.00 -0.92 0.00 0.00 175.35 172.16 1iwe s GLU 79 N -3.04 1.87 0.04 1.68 2.12 -1.26 -1.36 118.70 118.76 1iwe s GLU 79 Ca 0.63 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 55.06 1iwe s GLU 79 Cb -0.14 -2.47 -0.04 0.00 0.26 0.00 0.00 34.13 31.73 1iwe s GLU 79 CO 0.18 -0.49 0.16 0.71 -0.54 0.00 0.00 175.26 175.28 1iwe s TYR 80 N 1.39 3.43 -0.09 5.30 2.02 0.26 -4.94 117.35 124.73 1iwe s TYR 80 Ca -0.03 0.23 0.02 0.00 -0.37 0.00 0.00 57.07 56.92 1iwe s TYR 80 Cb -0.17 -1.74 0.01 0.00 -0.40 0.00 0.00 41.96 39.66 1iwe s TYR 80 CO -0.07 0.58 -0.15 -0.51 -1.57 0.00 0.00 175.55 173.83 1iwe s ASP 81 N -2.28 2.22 -0.03 2.29 1.01 -1.26 -0.75 116.67 117.87 1iwe s ASP 81 Ca 0.31 -0.38 0.07 0.00 0.71 0.00 0.00 52.55 53.25 1iwe s ASP 81 Cb -0.13 -1.01 -0.01 0.00 1.01 0.00 0.00 42.92 42.78 1iwe s ASP 81 CO 0.23 0.04 -0.23 -0.36 0.21 0.00 0.00 175.17 175.07 1iwe s PHE 82 N 0.77 2.10 -0.01 4.23 0.08 -0.42 -4.96 117.98 119.77 1iwe s PHE 82 Ca -0.12 -0.47 -0.01 0.00 0.12 0.00 0.00 56.93 56.45 1iwe s PHE 82 Cb -0.16 -1.36 -0.01 0.00 -0.57 0.00 0.00 43.02 40.92 1iwe s PHE 82 CO 0.02 -0.09 -0.03 0.72 -0.10 0.00 0.00 175.22 175.74 1iwe n HIS 83 N 2.67 0.00 -0.05 0.36 8.25 -1.26 -0.95 115.22 124.24 1iwe n HIS 83 Ca -0.16 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.24 1iwe n HIS 83 Cb 0.52 -0.09 -0.07 0.00 1.12 0.00 0.00 29.99 31.47 1iwe n HIS 83 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1iwe n LEU 84 N -3.19 0.61 -4.78 2.41 -0.00 -1.26 -2.67 117.00 108.12 1iwe n LEU 84 Ca -0.05 -0.01 -0.37 0.00 -0.00 0.00 0.00 56.01 55.58 1iwe n LEU 84 Cb 0.46 0.10 -0.04 0.00 -0.00 0.00 0.00 43.42 43.94 1iwe n LEU 84 CO 0.01 0.33 0.76 -0.76 -0.00 0.00 0.00 177.39 177.73 1iwe s LEU 85 N -4.90 4.18 0.24 -1.96 1.43 -1.26 -4.94 118.68 111.46 1iwe s LEU 85 Ca -0.07 2.12 -0.30 0.00 -1.03 0.00 0.00 54.13 54.85 1iwe s LEU 85 Cb 0.03 -4.11 -0.09 0.00 0.03 0.00 0.00 46.19 42.04 1iwe s LEU 85 CO 0.37 -0.52 1.30 -2.84 0.23 0.00 0.00 176.35 174.89 1iwe s PRO 86 N -2.38 4.40 0.19 1.29 0.02 -1.26 -4.85 135.00 132.41 1iwe s PRO 86 Ca 0.57 2.08 0.13 0.00 0.02 0.00 0.00 61.00 63.80 1iwe s PRO 86 Cb -0.25 -3.16 0.70 0.00 0.02 0.00 0.00 34.50 31.82 1iwe s PRO 86 CO 0.31 -0.20 1.41 0.43 -0.33 0.00 0.00 177.00 178.61 1iwe n SER 87 N 2.01 0.34 -0.34 2.53 7.64 -1.26 -0.33 113.62 124.20 1iwe n SER 87 Ca 0.04 0.65 0.08 0.00 1.01 0.00 0.00 58.87 60.65 1iwe n SER 87 Cb 0.43 -0.70 0.32 0.00 -1.01 0.00 0.00 64.21 63.25 1iwe n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iwe n GLY 88 N -1.30 -0.18 0.27 0.23 0.00 -1.26 -3.56 105.19 99.39 1iwe n GLY 88 Ca -0.01 -0.27 0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 1.25 0.46 0.00 -0.61 6.09 -1.05 -1.72 117.51 121.93 1iwe h ILE 89 Ca 0.00 -0.49 -0.03 0.00 -1.37 0.00 0.00 64.86 62.97 1iwe h ILE 89 Cb 0.28 1.33 -0.00 0.00 0.47 0.00 0.00 36.82 38.90 1iwe h ILE 89 CO 0.00 0.09 -0.14 0.40 -3.07 0.00 0.00 178.15 175.43 1iwe h ILE 90 N 0.00 0.58 -3.65 2.19 5.03 -1.80 -3.40 117.51 116.46 1iwe h ILE 90 Ca -0.00 -0.65 -0.60 0.00 -0.12 0.00 0.00 64.86 63.49 1iwe h ILE 90 Cb 0.33 1.42 -0.10 0.00 -3.03 0.00 0.00 36.82 35.44 1iwe h ILE 90 CO 0.01 0.14 0.61 0.21 -0.68 0.00 0.00 178.15 178.45 1iwe s ASN 91 N -6.18 6.50 0.01 1.72 3.84 -0.65 -4.89 114.94 115.29 1iwe s ASN 91 Ca -0.02 0.13 0.14 0.00 0.21 0.00 0.00 52.86 53.32 1iwe s ASN 91 Cb 0.13 -2.46 0.60 0.00 -0.55 0.00 0.00 41.25 38.97 1iwe s ASN 91 CO 0.60 -1.08 1.45 0.35 -2.79 0.00 0.00 177.10 175.63 1iwe n THR 92 N 6.46 1.04 1.01 -5.21 -2.24 -1.26 -2.30 114.28 111.78 1iwe n THR 92 Ca 0.07 0.26 0.11 0.00 -2.27 0.00 0.00 64.05 62.22 1iwe n THR 92 Cb 0.49 -1.03 0.15 0.00 -2.10 0.00 0.00 70.33 67.84 1iwe n THR 92 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1iwe n LYS 93 N -1.52 0.05 -4.30 -0.78 4.81 -1.26 -4.94 118.16 110.22 1iwe n LYS 93 Ca 0.03 -0.03 -0.26 0.00 -0.87 0.00 0.00 58.31 57.18 1iwe n LYS 93 Cb 0.16 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 33.62 1iwe n LYS 93 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1iwe s ALA 94 N -2.97 2.99 -0.18 3.14 0.00 -0.97 -4.90 121.76 118.86 1iwe s ALA 94 Ca 0.11 -1.52 -0.15 0.00 0.00 0.00 0.00 51.96 50.39 1iwe s ALA 94 Cb 0.17 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1iwe s ALA 94 CO 0.74 0.42 0.36 0.08 0.00 0.00 0.00 175.76 177.35 1iwe s VAL 95 N -1.86 5.24 -0.09 0.00 1.01 -0.79 -4.89 120.40 119.02 1iwe s VAL 95 Ca 0.26 0.65 -0.19 0.00 0.00 0.00 0.00 61.98 62.71 1iwe s VAL 95 Cb -0.08 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1iwe s VAL 95 CO 0.16 0.31 0.50 -0.44 0.00 0.00 0.00 175.10 175.63 1iwe s SER 96 N 0.81 6.75 -0.06 3.32 0.01 0.20 -2.00 113.70 122.74 1iwe s SER 96 Ca 0.18 0.90 0.05 0.00 1.31 0.00 0.00 55.95 58.39 1iwe s SER 96 Cb -0.14 -2.30 -0.01 0.00 0.21 0.00 0.00 66.02 63.78 1iwe s SER 96 CO 0.07 0.03 -0.22 0.12 0.41 0.00 0.00 173.24 173.64 1iwe s PHE 97 N 0.40 2.21 -0.35 2.43 5.36 0.62 -0.24 117.98 128.41 1iwe s PHE 97 Ca 0.27 -0.69 -0.06 0.00 -0.96 0.00 0.00 56.93 55.50 1iwe s PHE 97 Cb -0.16 -1.47 0.05 0.00 -0.34 0.00 0.00 43.02 41.11 1iwe s PHE 97 CO 0.12 -0.23 0.12 0.42 -1.46 0.00 0.00 175.22 174.19 1iwe s ILE 98 N -0.03 3.66 1.21 3.12 1.09 -0.45 -1.14 121.20 128.67 1iwe s ILE 98 Ca -0.06 -1.29 -0.20 0.00 -1.10 0.00 0.00 60.65 58.00 1iwe s ILE 98 Cb -0.14 -3.14 0.29 0.00 -1.06 0.00 0.00 42.46 38.42 1iwe s ILE 98 CO 0.04 -0.26 1.13 -0.83 -0.10 0.00 0.00 174.94 174.92 1iwe s GLY 99 N 1.51 1.60 0.46 6.18 0.00 -0.15 -1.23 107.32 115.69 1iwe s GLY 99 Ca -0.01 -1.05 0.26 0.00 0.00 0.00 0.00 44.72 43.92 1iwe s GLY 99 CO 0.01 -0.14 1.84 3.45 0.00 0.00 0.00 173.10 178.27 1iwe h ASN 100 N -2.61 0.00 0.75 1.64 -1.07 -1.45 -3.06 115.58 109.79 1iwe h ASN 100 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.94 1iwe h ASN 100 Cb 1.28 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.53 1iwe h ASN 100 CO 0.31 0.18 0.00 0.61 0.07 0.00 0.00 177.43 178.60 1iwe n GLY 101 N 0.19 -1.26 3.82 9.14 0.00 -0.91 -4.03 105.19 112.13 1iwe n GLY 101 Ca 0.00 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.97 4.40 -0.20 1.61 1.01 -1.16 -3.94 120.40 119.16 1iwe s VAL 102 Ca 0.11 1.47 -0.03 0.00 0.00 0.00 0.00 61.98 63.54 1iwe s VAL 102 Cb 0.15 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 1iwe s VAL 102 CO 0.41 -0.21 -0.06 0.68 0.00 0.00 0.00 175.10 175.92 1iwe s VAL 103 N -2.04 3.32 -0.19 2.92 -7.23 -0.71 -2.42 120.40 114.06 1iwe s VAL 103 Ca 0.58 -0.52 -0.05 0.00 -1.81 0.00 0.00 61.98 60.18 1iwe s VAL 103 Cb -0.11 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 1iwe s VAL 103 CO 0.16 0.45 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.76 1iwe s ILE 104 N 1.16 3.93 -0.44 -0.62 1.01 0.64 -4.34 121.20 122.54 1iwe s ILE 104 Ca 0.02 -0.32 -0.12 0.00 0.00 0.00 0.00 60.65 60.22 1iwe s ILE 104 Cb -0.14 -2.77 0.08 0.00 0.01 0.00 0.00 42.46 39.64 1iwe s ILE 104 CO -0.01 0.44 0.32 -2.28 0.00 0.00 0.00 174.94 173.41 1iwe s HIS 105 N 0.85 3.30 0.20 3.97 5.65 -1.26 0.31 115.29 128.31 1iwe s HIS 105 Ca 0.00 -1.29 -0.11 0.00 0.25 0.00 0.00 55.06 53.91 1iwe s HIS 105 Cb -0.14 -3.08 0.23 0.00 -1.18 0.00 0.00 32.58 28.40 1iwe s HIS 105 CO 0.02 -0.84 1.73 -0.07 -0.65 0.00 0.00 174.74 174.94 1iwe h LEU 106 N 8.56 0.13 -0.22 8.88 3.38 -1.98 0.24 115.31 134.29 1iwe h LEU 106 Ca -0.25 0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1iwe h LEU 106 Cb 1.09 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1iwe h LEU 106 CO 0.82 0.09 0.07 -0.65 0.09 0.00 0.00 178.44 178.85 1iwe h PRO 107 N 0.33 0.16 -0.98 1.13 0.11 -1.93 -2.16 132.00 128.65 1iwe h PRO 107 Ca 0.27 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.40 1iwe h PRO 107 Cb 0.34 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 31.36 1iwe h PRO 107 CO -0.30 0.11 0.65 0.78 -0.21 0.00 0.00 178.00 179.02 1iwe h GLY 108 N 0.17 1.42 0.44 -0.55 0.00 -1.84 -1.86 103.07 100.85 1iwe h GLY 108 Ca 0.10 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1iwe h GLY 108 CO -0.11 0.44 -0.46 -2.00 0.00 0.00 0.00 176.54 174.41 1iwe h LEU 109 N 1.26 -1.27 -1.64 3.11 5.85 -0.33 0.43 115.31 122.71 1iwe h LEU 109 Ca 0.38 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 59.17 1iwe h LEU 109 Cb -0.04 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1iwe h LEU 109 CO -0.11 -0.60 -0.17 -0.26 -0.34 0.00 0.00 178.44 176.95 1iwe h PHE 110 N -0.91 0.00 -0.09 1.25 -1.00 -1.40 -1.20 116.94 113.59 1iwe h PHE 110 Ca -0.06 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.57 1iwe h PHE 110 Cb 0.79 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.34 1iwe h PHE 110 CO -0.25 0.17 -0.61 1.49 -1.61 0.00 0.00 178.31 177.50 1iwe h GLU 111 N 0.00 0.31 -0.24 1.51 4.81 -1.02 -1.46 114.58 118.49 1iwe h GLU 111 Ca -0.00 -0.21 -0.20 0.00 -0.13 0.00 0.00 59.36 58.82 1iwe h GLU 111 Cb 0.47 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1iwe h GLU 111 CO 0.02 0.83 -0.61 1.49 -0.73 0.00 0.00 179.01 180.01 1iwe h GLU 112 N 0.23 0.84 -0.58 1.92 4.81 -0.12 -2.87 114.58 118.81 1iwe h GLU 112 Ca -0.01 -0.58 -0.09 0.00 -0.13 0.00 0.00 59.36 58.55 1iwe h GLU 112 Cb 1.13 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1iwe h GLU 112 CO 0.10 1.21 0.01 0.00 -0.73 0.00 0.00 179.01 179.60 1iwe h ALA 113 N 0.63 0.92 -0.42 2.92 0.00 -1.10 -3.07 119.26 119.14 1iwe h ALA 113 Ca -0.01 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 1iwe h ALA 113 Cb 1.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1iwe h ALA 113 CO 0.13 0.65 -0.25 0.93 0.00 0.00 0.00 179.25 180.71 1iwe h GLU 114 N 0.93 0.90 -0.65 0.00 5.08 -1.28 0.15 114.58 119.71 1iwe h GLU 114 Ca 0.17 -0.41 0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1iwe h GLU 114 Cb 0.52 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 1iwe h GLU 114 CO 0.03 1.07 0.40 0.87 -1.00 0.00 0.00 179.01 180.37 1iwe h LYS 115 N 0.72 0.76 -0.04 2.33 1.57 -1.49 -1.29 116.57 119.13 1iwe h LYS 115 Ca 0.09 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.65 1iwe h LYS 115 Cb 0.82 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1iwe h LYS 115 CO 0.07 0.50 -0.72 -0.91 -0.57 0.00 0.00 179.45 177.82 1iwe h ASN 116 N 0.78 0.27 -0.50 0.86 2.35 -1.46 -3.13 115.58 114.76 1iwe h ASN 116 Ca 0.26 -0.18 0.05 0.00 -0.55 0.00 0.00 56.30 55.87 1iwe h ASN 116 Cb 0.02 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.26 1iwe h ASN 116 CO -0.10 0.90 0.24 -0.08 -1.65 0.00 0.00 177.43 176.74 1iwe h GLU 117 N 0.15 0.45 0.00 0.81 4.81 0.10 0.30 114.58 121.21 1iwe h GLU 117 Ca -0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1iwe h GLU 117 Cb 1.28 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1iwe h GLU 117 CO 0.11 0.30 0.00 1.63 -0.73 0.00 0.00 179.01 180.32 1iwe n LYS 118 N -4.91 0.27 -0.01 1.92 5.02 -0.56 -0.77 118.16 119.12 1iwe n LYS 118 Ca 0.04 0.10 0.11 0.00 -2.02 0.00 0.00 58.31 56.54 1iwe n LYS 118 Cb 0.15 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.75 1iwe n LYS 118 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1iwe n LYS 119 N -1.17 2.03 0.00 1.97 5.02 0.10 -4.95 118.16 121.16 1iwe n LYS 119 Ca 0.08 -1.82 0.00 0.00 -2.02 0.00 0.00 58.31 54.55 1iwe n LYS 119 Cb 0.08 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 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 1.23 1.86 3.73 0.72 0.00 0.05 -5.07 105.19 107.71 1iwe n GLY 120 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 4.38 0.04 0.99 0.20 -1.04 -4.99 118.68 118.25 1iwe s LEU 121 Ca 0.00 2.62 0.01 0.00 0.69 0.00 0.00 54.13 57.45 1iwe s LEU 121 Cb 0.00 -3.61 -0.02 0.00 -0.43 0.00 0.00 46.19 42.13 1iwe s LEU 121 CO 0.00 -0.75 -0.05 -0.54 -0.29 0.00 0.00 176.35 174.71 1iwe s LYS 122 N 0.38 0.46 -1.22 1.98 1.02 -1.26 -4.36 119.74 116.73 1iwe s LYS 122 Ca 0.64 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.88 1iwe s LYS 122 Cb -0.42 -0.09 0.00 0.00 -0.52 0.00 0.00 37.83 36.80 1iwe s LYS 122 CO 0.37 -0.01 0.00 -0.25 -0.92 0.00 0.00 175.35 174.55 1iwe n ASP 123 N 1.35 -4.08 -0.38 2.83 8.00 -1.26 -4.85 116.55 118.18 1iwe n ASP 123 Ca -0.22 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1iwe n ASP 123 Cb 0.56 -3.51 0.14 0.00 -0.02 0.00 0.00 41.12 38.28 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 1.24 -0.01 1.24 5.08 -1.93 -1.29 115.95 120.28 1iwe h TRP 124 Ca -0.31 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.69 1iwe h TRP 124 Cb 1.17 -0.41 -0.00 0.00 -3.00 0.00 0.00 29.16 26.91 1iwe h TRP 124 CO 0.62 0.72 0.05 1.05 -1.28 0.00 0.00 178.44 179.60 1iwe h GLU 125 N 1.28 0.00 0.00 0.12 9.09 -1.94 -0.86 114.58 122.27 1iwe h GLU 125 Ca 0.40 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.81 1iwe h GLU 125 Cb -0.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.09 1iwe h GLU 125 CO -0.12 0.00 -0.18 1.63 0.05 0.00 0.00 179.01 180.39 1iwe n LYS 126 N -3.24 0.10 -1.01 1.06 4.01 -0.49 -3.86 118.16 114.74 1iwe n LYS 126 Ca -0.03 0.06 0.05 0.00 -0.51 0.00 0.00 58.31 57.89 1iwe n LYS 126 Cb 0.13 -1.60 0.12 0.00 -0.51 0.00 0.00 35.03 33.17 1iwe n LYS 126 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 1iwe n ARG 127 N -1.76 0.84 -4.12 1.97 1.85 -0.35 -5.01 116.66 110.09 1iwe n ARG 127 Ca 0.06 -2.68 -0.33 0.00 -1.00 0.00 0.00 57.85 53.90 1iwe n ARG 127 Cb 0.37 -0.86 -0.16 0.00 -1.05 0.00 0.00 32.46 30.76 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 -1.72 2.19 -0.09 2.89 2.96 -1.11 0.61 118.68 124.41 1iwe s LEU 128 Ca 0.36 -0.63 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 1iwe s LEU 128 Cb 0.38 -1.50 -0.02 0.00 0.50 0.00 0.00 46.19 45.55 1iwe s LEU 128 CO -0.11 0.00 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.17 1iwe s ILE 129 N 1.29 3.24 -0.13 6.68 1.01 0.67 -4.67 121.20 129.29 1iwe s ILE 129 Ca 0.05 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.10 1iwe s ILE 129 Cb -0.13 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 40.02 1iwe s ILE 129 CO -0.12 0.56 -0.22 -0.63 0.00 0.00 0.00 174.94 174.53 1iwe s ILE 130 N -0.25 2.11 0.19 2.92 -1.09 -0.36 -1.35 121.20 123.37 1iwe s ILE 130 Ca 0.02 -0.97 -0.31 0.00 -2.23 0.00 0.00 60.65 57.16 1iwe s ILE 130 Cb -0.13 -1.84 -0.09 0.00 -1.58 0.00 0.00 42.46 38.82 1iwe s ILE 130 CO 0.03 0.55 1.42 -0.55 -1.23 0.00 0.00 174.94 175.16 1iwe s SER 131 N 0.68 6.74 0.00 3.58 0.15 -0.37 -1.23 113.70 123.26 1iwe s SER 131 Ca -0.10 2.50 0.18 0.00 0.70 0.00 0.00 55.95 59.24 1iwe s SER 131 Cb -0.16 -2.60 1.07 0.00 -1.71 0.00 0.00 66.02 62.61 1iwe s SER 131 CO 0.01 -0.67 1.51 -0.90 1.20 0.00 0.00 173.24 174.39 1iwe n ASP 132 N 3.15 0.00 -0.81 5.45 3.85 0.85 -2.58 116.55 126.46 1iwe n ASP 132 Ca 0.09 -0.46 0.10 0.00 -0.71 0.00 0.00 54.79 53.81 1iwe n ASP 132 Cb 0.41 -0.05 0.09 0.00 -1.35 0.00 0.00 41.12 40.21 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 -1.05 1.81 -2.32 0.11 1.74 -1.26 -1.43 116.66 114.25 1iwe n ARG 133 Ca 0.13 -1.71 -0.39 0.00 -0.77 0.00 0.00 57.85 55.11 1iwe n ARG 133 Cb 0.08 -1.39 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 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 -1.67 3.24 0.46 7.54 0.00 -1.07 -4.81 121.76 125.45 1iwe s ALA 134 Ca 0.24 0.98 -0.11 0.00 0.00 0.00 0.00 51.96 53.06 1iwe s ALA 134 Cb 0.17 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.85 1iwe s ALA 134 CO 0.25 -0.46 0.84 -1.01 0.00 0.00 0.00 175.76 175.39 1iwe s HIS 135 N -1.35 3.49 -0.18 0.00 3.76 -1.01 -1.41 115.29 118.59 1iwe s HIS 135 Ca 0.54 1.13 -0.11 0.00 -0.15 0.00 0.00 55.06 56.47 1iwe s HIS 135 Cb -0.31 -2.53 -0.05 0.00 1.11 0.00 0.00 32.58 30.80 1iwe s HIS 135 CO 0.40 -0.23 0.20 -0.51 -0.85 0.00 0.00 174.74 173.74 1iwe s LEU 136 N -4.12 4.24 -0.34 0.89 1.43 -0.41 -0.26 118.68 120.11 1iwe s LEU 136 Ca 0.53 0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 53.82 1iwe s LEU 136 Cb -0.10 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 1iwe s LEU 136 CO 0.35 0.17 0.43 -0.69 0.23 0.00 0.00 176.35 176.84 1iwe s VAL 137 N 0.29 5.10 0.43 -1.59 1.01 0.15 -4.73 120.40 121.05 1iwe s VAL 137 Ca 0.12 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.29 1iwe s VAL 137 Cb -0.12 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1iwe s VAL 137 CO 0.01 -0.12 0.69 -0.36 0.00 0.00 0.00 175.10 175.32 1iwe s PHE 138 N 2.19 3.53 0.38 5.22 0.08 -1.26 -4.29 117.98 123.82 1iwe s PHE 138 Ca 0.15 0.62 0.09 0.00 0.12 0.00 0.00 56.93 57.91 1iwe s PHE 138 Cb -0.16 -2.15 0.84 0.00 -0.57 0.00 0.00 43.02 40.98 1iwe s PHE 138 CO 0.12 -0.13 1.93 -0.44 -0.10 0.00 0.00 175.22 176.61 1iwe h ASP 139 N 0.43 0.59 0.81 1.36 5.19 -1.98 0.22 116.42 123.04 1iwe h ASP 139 Ca -0.48 0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 55.89 1iwe h ASP 139 Cb 1.21 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.61 1iwe h ASP 139 CO 0.61 0.35 -0.24 2.19 -3.12 0.00 0.00 179.24 179.03 1iwe h PHE 140 N 0.65 0.00 -0.45 4.55 -5.15 -1.94 -1.63 116.94 112.98 1iwe h PHE 140 Ca 0.35 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 58.02 1iwe h PHE 140 Cb 0.48 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.63 1iwe h PHE 140 CO -0.00 0.24 -0.11 0.45 -2.00 0.00 0.00 178.31 176.90 1iwe h HIS 141 N 0.00 0.90 -0.34 6.09 3.86 -0.93 -0.81 115.15 123.91 1iwe h HIS 141 Ca -0.00 -0.17 -0.13 0.00 -1.16 0.00 0.00 60.37 58.91 1iwe h HIS 141 Cb 0.72 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 1iwe h HIS 141 CO 0.00 0.88 -0.30 1.96 0.86 0.00 0.00 177.93 181.32 1iwe h GLN 142 N 0.74 0.81 -0.76 2.45 4.20 -1.04 -2.50 115.11 119.01 1iwe h GLN 142 Ca 0.12 -0.41 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 1iwe h GLN 142 Cb 0.60 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.35 1iwe h GLN 142 CO 0.04 1.05 0.42 0.00 -0.67 0.00 0.00 178.83 179.66 1iwe h ALA 143 N 0.75 0.97 -0.48 3.87 0.00 -1.06 -2.37 119.26 120.95 1iwe h ALA 143 Ca 0.06 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1iwe h ALA 143 Cb 0.88 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1iwe h ALA 143 CO 0.08 0.48 0.04 0.28 0.00 0.00 0.00 179.25 180.14 1iwe h VAL 144 N 1.05 1.23 0.33 0.00 2.07 -1.09 -0.35 116.25 119.50 1iwe h VAL 144 Ca 0.27 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 1iwe h VAL 144 Cb 0.03 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1iwe h VAL 144 CO -0.04 0.32 -0.29 -0.78 0.02 0.00 0.00 177.57 176.80 1iwe h ASP 145 N 0.72 -0.76 -0.55 0.57 1.82 -0.97 -0.03 116.42 117.22 1iwe h ASP 145 Ca 0.15 0.06 0.03 0.00 -0.39 0.00 0.00 57.03 56.88 1iwe h ASP 145 Cb 0.38 0.25 -0.04 0.00 0.68 0.00 0.00 39.33 40.60 1iwe h ASP 145 CO 0.01 -0.42 0.32 1.23 -1.61 0.00 0.00 179.24 178.77 1iwe h GLY 146 N -0.63 0.78 0.97 -0.78 0.00 -1.21 -1.64 103.07 100.56 1iwe h GLY 146 Ca -0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1iwe h GLY 146 CO -0.03 0.20 0.09 1.41 0.00 0.00 0.00 176.54 178.21 1iwe h LEU 147 N 0.64 0.19 -1.68 3.11 4.07 -0.80 0.10 115.31 120.94 1iwe h LEU 147 Ca 0.22 -0.05 -0.02 0.00 0.08 0.00 0.00 57.88 58.11 1iwe h LEU 147 Cb 0.04 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1iwe h LEU 147 CO -0.11 0.18 -0.06 1.56 -1.08 0.00 0.00 178.44 178.93 1iwe h GLN 148 N 0.18 0.12 -0.17 1.13 4.20 -0.86 0.23 115.11 119.94 1iwe h GLN 148 Ca 0.06 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.59 1iwe h GLN 148 Cb 0.03 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1iwe h GLN 148 CO -0.01 0.20 -0.50 1.49 -0.67 0.00 0.00 178.83 179.34 1iwe h GLU 149 N 0.12 0.64 -0.24 1.46 4.57 -0.63 -0.42 114.58 120.09 1iwe h GLU 149 Ca 0.03 -0.46 -0.05 0.00 -1.18 0.00 0.00 59.36 57.70 1iwe h GLU 149 Cb 0.20 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1iwe h GLU 149 CO 0.01 1.08 -0.06 0.28 -1.18 0.00 0.00 179.01 179.14 1iwe h VAL 150 N 0.31 1.28 0.08 0.32 2.07 -0.18 0.51 116.25 120.64 1iwe h VAL 150 Ca -0.01 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1iwe h VAL 150 Cb 1.12 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1iwe h VAL 150 CO 0.11 0.33 -0.08 -0.61 0.02 0.00 0.00 177.57 177.33 1iwe h GLN 151 N 0.20 -0.15 -1.00 1.57 4.15 -0.57 -1.49 115.11 117.81 1iwe h GLN 151 Ca 0.06 0.01 0.26 0.00 0.77 0.00 0.00 58.65 59.75 1iwe h GLN 151 Cb 0.52 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.17 1iwe h GLN 151 CO 0.02 -0.10 0.67 -0.09 -1.93 0.00 0.00 178.83 177.41 1iwe h ARG 152 N -0.16 0.27 0.86 1.69 2.43 -1.12 -1.27 114.38 117.08 1iwe h ARG 152 Ca -0.01 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1iwe h ARG 152 Cb 0.14 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1iwe h ARG 152 CO -0.01 0.18 -0.47 0.37 -1.51 0.00 0.00 179.97 178.52 1iwe h GLN 153 N 0.27 -1.19 -2.88 0.20 5.75 -0.43 -2.23 115.11 114.61 1iwe h GLN 153 Ca 0.53 0.08 -0.76 0.00 -0.15 0.00 0.00 58.65 58.35 1iwe h GLN 153 Cb 1.57 0.27 -0.16 0.00 1.07 0.00 0.00 27.48 30.22 1iwe h GLN 153 CO -0.17 -0.79 2.01 0.00 -2.65 0.00 0.00 178.83 177.23 1iwe n ALA 154 N -2.68 6.14 0.00 3.38 0.00 -0.49 -1.59 120.51 125.26 1iwe n ALA 154 Ca -0.15 -4.28 0.00 0.00 0.00 0.00 0.00 53.44 49.01 1iwe n ALA 154 Cb 0.50 -2.74 0.00 0.00 0.00 0.00 0.00 19.45 17.21 1iwe n ALA 154 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1iwe n GLN 155 N 2.18 0.00 -0.03 0.00 0.00 -1.16 -4.90 117.38 113.46 1iwe n GLN 155 Ca 0.50 0.00 0.02 0.00 -0.00 0.00 0.00 57.00 57.52 1iwe n GLN 155 Cb 0.29 0.00 0.03 0.00 0.00 0.00 0.00 30.24 30.56 1iwe n GLN 155 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1iwe n GLU 156 N -1.36 1.24 0.00 3.69 1.02 -0.84 -5.00 120.64 119.39 1iwe n GLU 156 Ca 0.00 -1.19 0.00 0.00 -0.02 0.00 0.00 57.16 55.95 1iwe n GLU 156 Cb 0.00 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 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 -0.01 3.00 3.38 0.62 0.00 -0.62 -4.94 105.19 106.62 1iwe n GLY 157 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 1iwe n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iwe s LYS 158 N -0.06 0.95 0.02 1.61 -0.14 -1.18 -4.90 119.74 116.04 1iwe s LYS 158 Ca 0.00 -0.14 0.00 0.00 -1.36 0.00 0.00 55.97 54.47 1iwe s LYS 158 Cb 0.00 0.43 0.00 0.00 -1.68 0.00 0.00 37.83 36.58 1iwe s LYS 158 CO 0.00 -0.32 0.01 0.27 -0.76 0.00 0.00 175.35 174.55 1iwe n ASN 159 N 0.71 1.28 0.15 2.83 0.23 -1.26 -4.30 115.26 114.90 1iwe n ASN 159 Ca -0.19 -1.06 0.03 0.00 -0.53 0.00 0.00 54.58 52.83 1iwe n ASN 159 Cb 0.59 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 38.38 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 0.62 0.83 -0.48 1.53 1.08 -1.94 -3.48 117.51 115.68 1iwe h ILE 160 Ca -0.01 -2.05 0.00 0.00 -0.39 0.00 0.00 64.86 62.41 1iwe h ILE 160 Cb 0.04 2.32 0.00 0.00 -3.07 0.00 0.00 36.82 36.11 1iwe h ILE 160 CO 0.02 0.45 0.00 0.61 -0.69 0.00 0.00 178.15 178.54 1iwe n GLY 161 N 1.05 0.68 3.64 5.37 0.00 -1.26 -4.82 105.19 109.84 1iwe n GLY 161 Ca 0.02 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 1iwe n GLY 161 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iwe s THR 162 N -2.48 2.21 -2.20 2.61 -4.23 -1.26 -4.92 115.64 105.38 1iwe s THR 162 Ca 0.00 0.07 0.25 0.00 -1.18 0.00 0.00 61.69 60.83 1iwe s THR 162 Cb 0.00 -2.42 0.61 0.00 1.34 0.00 0.00 72.50 72.03 1iwe s THR 162 CO 0.00 -0.09 1.80 0.35 -0.54 0.00 0.00 174.62 176.15 1iwe n THR 163 N -4.31 0.05 -2.57 3.99 -2.24 -1.26 -4.92 114.28 103.03 1iwe n THR 163 Ca 0.05 -0.15 -0.21 0.00 -2.27 0.00 0.00 64.05 61.47 1iwe n THR 163 Cb 0.56 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 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 -0.31 -2.56 -0.70 -0.78 5.02 -1.26 -4.88 118.16 112.69 1iwe n LYS 164 Ca 0.18 0.98 0.08 0.00 -2.02 0.00 0.00 58.31 57.53 1iwe n LYS 164 Cb 0.22 -5.70 0.36 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 -3.29 4.08 -1.36 1.97 4.76 -1.26 -4.74 118.16 118.32 1iwe n LYS 165 Ca -0.21 -2.80 -0.12 0.00 -2.87 0.00 0.00 58.31 52.31 1iwe n LYS 165 Cb 0.67 -2.03 -0.05 0.00 -1.84 0.00 0.00 35.03 31.77 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 0.85 1.25 0.07 0.72 0.00 -1.26 -4.69 105.19 102.13 1iwe n GLY 166 Ca 0.25 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 1.05 0.35 -0.61 2.04 -1.92 -2.44 117.51 115.98 1iwe h ILE 167 Ca -0.25 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 1iwe h ILE 167 Cb 1.03 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1iwe h ILE 167 CO 0.37 0.09 -0.34 1.23 0.00 0.00 0.00 178.15 179.50 1iwe h GLY 168 N -0.25 -0.80 0.81 5.37 0.00 -1.94 -1.55 103.07 104.71 1iwe h GLY 168 Ca -0.01 0.39 0.11 0.00 0.00 0.00 0.00 47.33 47.82 1iwe h GLY 168 CO 0.01 -0.29 0.51 -2.55 0.00 0.00 0.00 176.54 174.22 1iwe h PRO 169 N -0.72 0.63 -0.21 4.80 0.11 -1.85 0.13 132.00 134.89 1iwe h PRO 169 Ca -0.02 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 1iwe h PRO 169 Cb 0.65 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1iwe h PRO 169 CO -0.06 0.42 -0.03 1.15 -0.21 0.00 0.00 178.00 179.26 1iwe h THR 170 N 0.65 1.28 0.00 -1.15 2.02 -1.10 0.84 112.91 115.44 1iwe h THR 170 Ca 0.36 -0.99 -0.05 0.00 0.77 0.00 0.00 66.41 66.50 1iwe h THR 170 Cb 0.54 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1iwe h THR 170 CO -0.14 0.30 -0.25 1.88 0.37 0.00 0.00 175.52 177.69 1iwe h TYR 171 N 0.14 0.00 -0.40 3.16 0.05 -0.66 0.66 116.97 119.91 1iwe h TYR 171 Ca 0.06 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.78 1iwe h TYR 171 Cb 0.47 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.19 1iwe h TYR 171 CO 0.05 0.25 0.03 1.03 -1.05 0.00 0.00 178.16 178.47 1iwe h SER 172 N 0.00 0.67 -0.29 3.88 0.87 -0.19 -1.94 113.55 116.56 1iwe h SER 172 Ca -0.00 -0.29 -0.10 0.00 -1.23 0.00 0.00 61.79 60.17 1iwe h SER 172 Cb 0.48 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1iwe h SER 172 CO 0.03 0.79 -0.18 0.28 -0.53 0.00 0.00 176.83 177.23 1iwe h SER 173 N 0.53 0.74 0.11 6.23 0.02 0.22 -2.36 113.55 119.04 1iwe h SER 173 Ca 0.12 -0.24 0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1iwe h SER 173 Cb 0.43 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 1iwe h SER 173 CO 0.01 0.92 -0.21 0.50 -1.14 0.00 0.00 176.83 176.91 1iwe h LYS 174 N 0.66 -0.38 -0.83 3.45 3.64 -0.65 -0.32 116.57 122.14 1iwe h LYS 174 Ca 0.10 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.56 1iwe h LYS 174 Cb 0.66 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.52 1iwe h LYS 174 CO 0.05 -0.25 0.54 0.00 -2.27 0.00 0.00 179.45 177.52 1iwe h ALA 175 N 0.40 1.56 0.00 5.00 0.00 -1.22 0.31 119.26 125.32 1iwe h ALA 175 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1iwe h ALA 175 Cb 0.42 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1iwe h ALA 175 CO -0.12 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1iwe n ALA 176 N -2.42 1.91 -1.74 0.00 0.00 -0.84 -4.89 120.51 112.54 1iwe n ALA 176 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.42 1iwe n ALA 176 Cb 0.18 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.20 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 -1.99 -1.05 0.00 0.00 3.00 0.10 -4.86 116.66 111.86 1iwe n ARG 177 Ca 0.04 0.88 0.08 0.00 -0.01 0.00 0.00 57.85 58.84 1iwe n ARG 177 Cb 0.28 -5.06 -0.03 0.00 0.00 0.00 0.00 32.46 27.65 1iwe n ARG 177 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1iwe n THR 178 N -3.13 0.00 -1.80 0.55 -2.24 -0.93 -4.99 114.28 101.75 1iwe n THR 178 Ca -0.15 -0.27 -0.32 0.00 -2.27 0.00 0.00 64.05 61.04 1iwe n THR 178 Cb 0.53 1.13 0.03 0.00 -2.10 0.00 0.00 70.33 69.92 1iwe n THR 178 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1iwe s GLY 179 N -2.10 1.94 0.06 3.38 0.00 -1.06 -4.85 107.32 104.69 1iwe s GLY 179 Ca 0.11 0.29 0.04 0.00 0.00 0.00 0.00 44.72 45.16 1iwe s GLY 179 CO 0.48 0.61 -0.02 1.08 0.00 0.00 0.00 173.10 175.26 1iwe s LEU 180 N -5.00 3.39 0.41 0.66 1.43 -1.26 -4.95 118.68 113.35 1iwe s LEU 180 Ca 0.62 -0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.63 1iwe s LEU 180 Cb -0.16 -2.07 -0.06 0.00 0.03 0.00 0.00 46.19 43.94 1iwe s LEU 180 CO 0.45 0.21 0.13 -0.13 0.23 0.00 0.00 176.35 177.24 1iwe s ARG 181 N -2.01 2.16 0.17 1.70 0.52 -1.26 -1.29 118.95 118.94 1iwe s ARG 181 Ca 0.23 -1.90 -0.17 0.00 -0.52 0.00 0.00 55.73 53.37 1iwe s ARG 181 Cb -0.11 -1.90 0.11 0.00 0.52 0.00 0.00 34.95 33.56 1iwe s ARG 181 CO 0.15 -0.09 1.66 0.82 0.02 0.00 0.00 175.30 177.86 1iwe h ILE 182 N 1.53 0.56 -0.32 1.52 1.08 -1.33 0.12 117.51 120.67 1iwe h ILE 182 Ca -0.43 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.10 1iwe h ILE 182 Cb 1.25 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 35.55 1iwe h ILE 182 CO 0.72 0.00 0.22 0.00 -0.69 0.00 0.00 178.15 178.40 1iwe h ASP 184 N 0.17 0.57 0.09 0.00 3.32 -1.10 -2.46 116.42 117.00 1iwe h ASP 184 Ca 0.14 -0.29 -0.10 0.00 0.02 0.00 0.00 57.03 56.81 1iwe h ASP 184 Cb 0.35 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1iwe h ASP 184 CO -0.02 0.98 -0.31 0.25 -1.72 0.00 0.00 179.24 178.41 1iwe h LEU 185 N 0.40 0.35 -0.15 1.55 6.46 0.37 -3.01 115.31 121.29 1iwe h LEU 185 Ca 0.01 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1iwe h LEU 185 Cb 1.04 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.87 1iwe h LEU 185 CO 0.10 0.65 -0.33 0.18 -0.62 0.00 0.00 178.44 178.41 1iwe n LEU 186 N -4.09 0.56 0.00 2.25 4.32 -0.55 -4.80 117.00 114.68 1iwe n LEU 186 Ca -0.01 -0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 1iwe n LEU 186 Cb 0.42 -0.24 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 1iwe n LEU 186 CO 0.41 0.12 0.00 -1.20 -1.22 0.00 0.00 177.39 175.51 1iwe n SER 187 N -1.23 0.00 -4.63 -1.43 7.64 -0.94 -4.91 113.62 108.13 1iwe n SER 187 Ca 0.08 0.00 -0.47 0.00 1.01 0.00 0.00 58.87 59.49 1iwe n SER 187 Cb 0.33 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.49 1iwe n SER 187 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1iwe n ASP 188 N 0.00 3.30 -0.09 6.43 2.03 -1.26 -4.84 116.55 122.12 1iwe n ASP 188 Ca 0.00 0.74 -0.04 0.00 0.52 0.00 0.00 54.79 56.02 1iwe n ASP 188 Cb 0.00 -1.40 0.18 0.00 -0.72 0.00 0.00 41.12 39.18 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 10.90 0.78 -0.32 -0.67 3.57 -1.88 -1.30 116.94 128.03 1iwe h PHE 189 Ca -0.44 -0.11 0.03 0.00 3.53 0.00 0.00 57.97 60.98 1iwe h PHE 189 Cb 1.27 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.76 1iwe h PHE 189 CO 0.91 0.74 0.13 -0.44 -2.23 0.00 0.00 178.31 177.42 1iwe h ASP 190 N 0.69 0.17 -0.69 0.41 3.32 -1.98 0.62 116.42 118.95 1iwe h ASP 190 Ca 0.14 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 1iwe h ASP 190 Cb 0.44 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 1iwe h ASP 190 CO 0.02 0.13 0.19 -0.08 -1.72 0.00 0.00 179.24 177.78 1iwe h GLU 191 N 0.28 1.11 -0.30 3.56 4.57 -1.90 -0.52 114.58 121.37 1iwe h GLU 191 Ca 0.14 -0.25 0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1iwe h GLU 191 Cb 0.09 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 1iwe h GLU 191 CO -0.12 0.96 0.18 0.35 -1.18 0.00 0.00 179.01 179.20 1iwe h PHE 192 N 1.06 0.33 -0.57 0.92 3.57 -0.18 -1.54 116.94 120.52 1iwe h PHE 192 Ca 0.22 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.79 1iwe h PHE 192 Cb 0.34 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 1iwe h PHE 192 CO 0.03 0.20 0.29 0.77 -2.23 0.00 0.00 178.31 177.37 1iwe h SER 193 N 0.36 0.41 -0.79 0.41 0.02 0.74 0.10 113.55 114.81 1iwe h SER 193 Ca 0.12 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1iwe h SER 193 Cb -0.00 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.45 1iwe h SER 193 CO -0.06 0.27 0.51 0.00 -1.14 0.00 0.00 176.83 176.42 1iwe h ALA 194 N 1.32 1.04 -0.21 3.77 0.00 -0.59 -1.47 119.26 123.11 1iwe h ALA 194 Ca 0.26 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1iwe h ALA 194 Cb 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1iwe h ALA 194 CO -0.18 0.33 -0.10 0.00 0.00 0.00 0.00 179.25 179.30 1iwe h ARG 195 N 1.00 0.44 -0.29 0.00 3.08 -0.46 -2.91 114.38 115.24 1iwe h ARG 195 Ca 0.31 -0.19 0.05 0.00 0.07 0.00 0.00 59.98 60.23 1iwe h ARG 195 Cb -0.01 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 1iwe h ARG 195 CO -0.11 0.72 -0.03 0.35 -1.07 0.00 0.00 179.97 179.83 1iwe h PHE 196 N 0.15 -0.08 -0.72 3.04 3.57 -0.53 -0.33 116.94 122.05 1iwe h PHE 196 Ca 0.05 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1iwe h PHE 196 Cb 0.58 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 1iwe h PHE 196 CO 0.06 -0.08 0.44 0.87 -2.23 0.00 0.00 178.31 177.37 1iwe h LYS 197 N 0.05 0.82 -0.18 1.11 1.57 -1.29 0.72 116.57 119.37 1iwe h LYS 197 Ca 0.14 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1iwe h LYS 197 Cb 0.20 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1iwe h LYS 197 CO -0.26 0.55 0.07 -0.91 -0.57 0.00 0.00 179.45 178.32 1iwe h ASN 198 N 0.85 0.24 -0.42 0.86 -0.26 -1.23 0.17 115.58 115.79 1iwe h ASN 198 Ca 0.30 -0.17 -0.02 0.00 -0.56 0.00 0.00 56.30 55.84 1iwe h ASN 198 Cb 0.07 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 1iwe h ASN 198 CO -0.13 0.35 0.19 0.25 -1.06 0.00 0.00 177.43 177.03 1iwe h LEU 199 N 0.13 0.60 0.07 1.61 5.85 -0.35 -1.39 115.31 121.83 1iwe h LEU 199 Ca 0.06 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1iwe h LEU 199 Cb 0.18 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1iwe h LEU 199 CO -0.00 0.54 -0.04 0.00 -0.34 0.00 0.00 178.44 178.60 1iwe h ALA 200 N 1.55 -0.10 -0.70 1.25 0.00 0.97 -2.95 119.26 119.29 1iwe h ALA 200 Ca 0.16 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1iwe h ALA 200 Cb 0.13 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1iwe h ALA 200 CO -0.02 -0.45 0.28 0.45 0.00 0.00 0.00 179.25 179.51 1iwe h HIS 201 N -0.30 1.03 -0.98 0.00 3.86 -0.73 -2.56 115.15 115.47 1iwe h HIS 201 Ca -0.01 -0.07 0.10 0.00 -1.16 0.00 0.00 60.37 59.24 1iwe h HIS 201 Cb 0.26 -0.31 -0.08 0.00 1.06 0.00 0.00 27.41 28.34 1iwe h HIS 201 CO -0.01 0.78 0.61 1.96 0.86 0.00 0.00 177.93 182.14 1iwe h GLN 202 N 1.00 0.98 0.00 2.45 4.20 -1.18 0.52 115.11 123.08 1iwe h GLN 202 Ca 0.23 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 1iwe h GLN 202 Cb 0.18 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1iwe h GLN 202 CO -0.02 0.65 -0.24 0.45 -0.67 0.00 0.00 178.83 178.99 1iwe h HIS 203 N 1.01 0.00 0.00 2.96 3.86 -1.29 -2.86 115.15 118.83 1iwe h HIS 203 Ca 0.47 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.68 1iwe h HIS 203 Cb 0.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1iwe h HIS 203 CO -0.01 0.24 0.00 1.96 0.86 0.00 0.00 177.93 180.98 1iwe h GLN 204 N 0.00 0.00 0.03 2.45 4.20 -0.61 -2.35 115.11 118.83 1iwe h GLN 204 Ca -0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1iwe h GLN 204 Cb 0.87 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.66 1iwe h GLN 204 CO 0.03 0.00 -0.40 0.77 -0.67 0.00 0.00 178.83 178.56 1iwe h SER 205 N 0.00 0.30 -0.84 1.46 0.02 -1.24 -1.79 113.55 111.46 1iwe h SER 205 Ca 0.00 -0.85 0.08 0.00 -0.84 0.00 0.00 61.79 60.18 1iwe h SER 205 Cb 0.57 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 62.95 1iwe h SER 205 CO 0.00 1.12 0.50 -0.03 -1.14 0.00 0.00 176.83 177.28 1iwe h MET 206 N -0.49 0.85 -3.09 3.45 1.85 -1.56 -3.34 114.93 112.61 1iwe h MET 206 Ca -0.06 -0.05 -0.59 0.00 -0.61 0.00 0.00 59.70 58.39 1iwe h MET 206 Cb 1.21 -0.19 -0.40 0.00 0.43 0.00 0.00 31.60 32.65 1iwe h MET 206 CO 0.08 0.57 -0.77 -0.06 -0.40 0.00 0.00 176.91 176.32 1iwe s PHE 207 N -6.04 1.53 -2.00 1.39 0.08 -0.90 -4.95 117.98 107.09 1iwe s PHE 207 Ca -0.12 -1.93 0.06 0.00 0.12 0.00 0.00 56.93 55.06 1iwe s PHE 207 Cb 0.19 -1.57 0.38 0.00 -0.57 0.00 0.00 43.02 41.45 1iwe s PHE 207 CO 0.79 -0.83 0.82 -0.35 -0.10 0.00 0.00 175.22 175.55 1iwe n PRO 208 N 4.20 0.46 -0.00 0.24 -0.04 -0.67 -0.25 135.00 138.94 1iwe n PRO 208 Ca 0.05 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.61 1iwe n PRO 208 Cb 0.38 -1.21 -0.14 0.00 -0.04 0.00 0.00 33.50 32.49 1iwe n PRO 208 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1iwe n THR 209 N -0.71 0.00 -2.03 0.52 -1.04 -1.26 -4.92 114.28 104.84 1iwe n THR 209 Ca 0.05 -0.18 -0.43 0.00 -2.04 0.00 0.00 64.05 61.45 1iwe n THR 209 Cb 0.02 0.63 -0.03 0.00 -1.82 0.00 0.00 70.33 69.14 1iwe n THR 209 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1iwe s LEU 210 N -3.55 4.02 -0.24 -4.42 2.96 0.66 -4.99 118.68 113.13 1iwe s LEU 210 Ca 0.02 1.87 -0.12 0.00 -0.22 0.00 0.00 54.13 55.68 1iwe s LEU 210 Cb 0.15 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.27 1iwe s LEU 210 CO 0.88 -1.19 0.24 -1.61 -1.32 0.00 0.00 176.35 173.36 1iwe s GLU 211 N 4.57 4.07 -0.14 1.98 2.02 -1.26 -4.89 118.70 125.05 1iwe s GLU 211 Ca 0.75 -0.13 -0.01 0.00 0.02 0.00 0.00 54.97 55.59 1iwe s GLU 211 Cb -0.29 -3.57 0.04 0.00 0.10 0.00 0.00 34.13 30.41 1iwe s GLU 211 CO 0.30 -0.04 -0.01 0.42 0.02 0.00 0.00 175.26 175.96 1iwe s ILE 212 N 1.33 0.68 -1.33 -1.63 1.01 -1.26 -4.99 121.20 115.02 1iwe s ILE 212 Ca 0.11 -0.35 -0.16 0.00 0.00 0.00 0.00 60.65 60.26 1iwe s ILE 212 Cb -0.14 -0.95 0.08 0.00 0.01 0.00 0.00 42.46 41.46 1iwe s ILE 212 CO 0.07 0.08 1.84 -0.67 0.00 0.00 0.00 174.94 176.26 1iwe n ASP 213 N 5.02 4.70 -0.26 3.58 4.64 -1.26 -4.81 116.55 128.17 1iwe n ASP 213 Ca -0.09 -2.92 0.00 0.00 -1.38 0.00 0.00 54.79 50.39 1iwe n ASP 213 Cb 0.48 -1.68 0.07 0.00 -1.04 0.00 0.00 41.12 38.96 1iwe n ASP 213 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 1iwe h VAL 214 N 4.85 0.20 -0.32 5.18 2.07 -1.99 -0.30 116.25 125.95 1iwe h VAL 214 Ca 0.46 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.96 1iwe h VAL 214 Cb 0.79 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1iwe h VAL 214 CO 1.56 0.00 0.14 -0.08 0.02 0.00 0.00 177.57 179.21 1iwe h GLU 215 N -0.04 0.46 0.28 1.57 4.57 -2.00 -1.83 114.58 117.60 1iwe h GLU 215 Ca 0.34 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.43 1iwe h GLU 215 Cb 0.56 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1iwe h GLU 215 CO -0.78 0.45 -0.14 0.78 -1.18 0.00 0.00 179.01 178.15 1iwe h GLY 216 N 0.37 -0.40 0.90 1.92 0.00 -1.77 -1.93 103.07 102.16 1iwe h GLY 216 Ca 0.11 0.15 0.13 0.00 0.00 0.00 0.00 47.33 47.72 1iwe h GLY 216 CO -0.01 -0.14 0.43 1.46 0.00 0.00 0.00 176.54 178.27 1iwe h GLN 217 N -0.52 0.27 -0.04 4.80 4.20 -1.06 0.27 115.11 123.03 1iwe h GLN 217 Ca -0.04 -0.02 -0.19 0.00 0.06 0.00 0.00 58.65 58.46 1iwe h GLN 217 Cb 0.39 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1iwe h GLN 217 CO 0.06 0.18 -0.79 -0.07 -0.67 0.00 0.00 178.83 177.54 1iwe h LEU 218 N 0.28 0.42 -0.35 1.46 3.38 -1.12 -1.99 115.31 117.39 1iwe h LEU 218 Ca 0.30 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1iwe h LEU 218 Cb 0.78 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1iwe h LEU 218 CO -0.07 1.06 0.12 0.11 0.09 0.00 0.00 178.44 179.75 1iwe h LYS 219 N 0.22 0.54 -0.53 1.13 1.57 -0.19 0.46 116.57 119.77 1iwe h LYS 219 Ca -0.04 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 1iwe h LYS 219 Cb 1.38 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 1iwe h LYS 219 CO 0.13 0.56 0.06 0.00 -0.57 0.00 0.00 179.45 179.63 1iwe h ARG 220 N 0.42 0.86 -0.50 3.15 3.08 -1.21 -2.71 114.38 117.47 1iwe h ARG 220 Ca 0.11 -0.21 -0.12 0.00 0.07 0.00 0.00 59.98 59.83 1iwe h ARG 220 Cb 0.23 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1iwe h ARG 220 CO -0.01 0.82 -0.16 -0.07 -1.07 0.00 0.00 179.97 179.48 1iwe h LEU 221 N 0.81 0.98 -0.97 3.04 3.38 -1.01 -1.13 115.31 120.40 1iwe h LEU 221 Ca 0.17 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.85 1iwe h LEU 221 Cb 0.39 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1iwe h LEU 221 CO 0.01 1.13 0.63 0.50 0.09 0.00 0.00 178.44 180.79 1iwe h LYS 222 N 0.85 1.12 -0.34 1.13 1.63 -0.69 0.06 116.57 120.33 1iwe h LYS 222 Ca 0.12 -0.07 -0.12 0.00 -0.85 0.00 0.00 60.65 59.74 1iwe h LYS 222 Cb 0.72 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 1iwe h LYS 222 CO 0.06 0.74 -0.24 0.78 -3.45 0.00 0.00 179.45 177.34 1iwe h GLY 223 N 1.16 0.84 1.62 5.01 0.00 -1.15 -2.99 103.07 107.55 1iwe h GLY 223 Ca 0.41 -0.80 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 1iwe h GLY 223 CO -0.16 0.72 -0.01 0.74 0.00 0.00 0.00 176.54 177.84 1iwe h PHE 224 N 0.55 0.49 -0.26 5.60 0.04 -0.52 -2.52 116.94 120.32 1iwe h PHE 224 Ca 0.07 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1iwe h PHE 224 Cb 0.80 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 1iwe h PHE 224 CO 0.06 0.49 0.12 0.00 -0.60 0.00 0.00 178.31 178.39 1iwe h ALA 225 N 1.54 0.33 -0.07 2.45 0.00 -0.89 0.68 119.26 123.31 1iwe h ALA 225 Ca 0.10 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1iwe h ALA 225 Cb 0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1iwe h ALA 225 CO 0.01 -0.10 -0.33 0.93 0.00 0.00 0.00 179.25 179.76 1iwe h GLU 226 N 0.28 0.13 0.01 0.00 4.39 -1.38 0.71 114.58 118.73 1iwe h GLU 226 Ca 0.09 -0.05 -0.19 0.00 0.34 0.00 0.00 59.36 59.55 1iwe h GLU 226 Cb 0.12 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1iwe h GLU 226 CO -0.01 0.45 -0.90 -0.09 -1.16 0.00 0.00 179.01 177.30 1iwe h ARG 227 N 0.12 0.08 0.00 2.33 2.43 -1.10 -3.28 114.38 114.96 1iwe h ARG 227 Ca 0.01 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1iwe h ARG 227 Cb 0.64 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1iwe h ARG 227 CO 0.05 0.92 -0.99 1.51 -1.51 0.00 0.00 179.97 179.95 1iwe n ILE 228 N -3.55 0.56 -0.27 1.20 3.06 0.20 -4.54 119.36 116.02 1iwe n ILE 228 Ca -0.02 -0.50 -0.06 0.00 -2.50 0.00 0.00 62.75 59.67 1iwe n ILE 228 Cb 0.84 -0.28 -0.01 0.00 0.54 0.00 0.00 39.64 40.73 1iwe n ILE 228 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 1iwe h ARG 229 N 0.00 -0.13 0.00 9.51 2.43 -0.92 -0.30 114.38 124.98 1iwe h ARG 229 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1iwe h ARG 229 Cb 0.96 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1iwe h ARG 229 CO 0.00 -0.08 0.00 -0.35 -1.51 0.00 0.00 179.97 178.03 1iwe n PRO 230 N -5.42 0.00 0.03 0.20 -0.04 -1.26 -2.45 135.00 126.05 1iwe n PRO 230 Ca 0.05 0.37 0.11 0.00 -0.04 0.00 0.00 63.50 63.98 1iwe n PRO 230 Cb 0.36 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.24 1iwe n PRO 230 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1iwe n MET 231 N -1.50 0.53 -2.74 0.54 2.81 -0.14 -4.97 117.12 111.66 1iwe n MET 231 Ca 0.02 -0.06 -0.39 0.00 -1.81 0.00 0.00 57.70 55.45 1iwe n MET 231 Cb 0.09 -1.62 -0.06 0.00 -0.71 0.00 0.00 33.22 30.92 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 -3.38 4.06 0.26 2.03 1.01 -1.03 -1.23 120.40 122.12 1iwe s VAL 232 Ca -0.03 2.01 -0.13 0.00 0.00 0.00 0.00 61.98 63.83 1iwe s VAL 232 Cb 0.13 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1iwe s VAL 232 CO 0.85 0.43 0.52 -0.13 0.00 0.00 0.00 175.10 176.77 1iwe s ARG 233 N -1.34 1.62 -0.35 2.72 0.52 -0.36 -4.91 118.95 116.85 1iwe s ARG 233 Ca 0.43 -1.25 -0.29 0.00 -0.52 0.00 0.00 55.73 54.10 1iwe s ARG 233 Cb -0.25 0.49 0.01 0.00 0.52 0.00 0.00 34.95 35.72 1iwe s ARG 233 CO 0.31 -0.69 1.22 0.34 0.02 0.00 0.00 175.30 176.51 1iwe s ASP 234 N -3.02 6.70 0.12 0.23 2.15 -1.26 -0.10 116.67 121.49 1iwe s ASP 234 Ca 0.21 1.00 -0.14 0.00 0.43 0.00 0.00 52.55 54.05 1iwe s ASP 234 Cb -0.02 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 40.03 1iwe s ASP 234 CO 0.09 -1.09 1.52 1.23 -0.17 0.00 0.00 175.17 176.75 1iwe h GLY 235 N 10.86 0.84 0.39 2.66 0.00 -1.89 -1.79 103.07 114.13 1iwe h GLY 235 Ca -0.24 -0.72 0.04 0.00 0.00 0.00 0.00 47.33 46.41 1iwe h GLY 235 CO 1.06 0.65 -0.21 -2.08 0.00 0.00 0.00 176.54 175.96 1iwe h VAL 236 N 0.58 0.49 -0.56 4.60 2.07 -1.91 -0.76 116.25 120.76 1iwe h VAL 236 Ca 0.09 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.52 1iwe h VAL 236 Cb 0.66 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1iwe h VAL 236 CO 0.05 0.00 -0.01 0.22 0.02 0.00 0.00 177.57 177.84 1iwe h TYR 237 N -0.28 1.09 -0.23 1.57 5.03 -1.94 -1.80 116.97 120.42 1iwe h TYR 237 Ca 0.09 -0.20 0.02 0.00 2.58 0.00 0.00 58.73 61.22 1iwe h TYR 237 Cb 0.41 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 38.39 1iwe h TYR 237 CO -0.30 0.99 0.09 0.35 -1.32 0.00 0.00 178.16 177.97 1iwe h PHE 238 N 0.88 0.17 -0.43 -3.82 3.04 -1.00 -0.47 116.94 115.31 1iwe h PHE 238 Ca 0.16 0.01 -0.13 0.00 3.98 0.00 0.00 57.97 61.99 1iwe h PHE 238 Cb 0.56 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.02 1iwe h PHE 238 CO 0.04 0.09 -0.22 1.98 -2.02 0.00 0.00 178.31 178.18 1iwe h MET 239 N 0.21 0.91 -0.21 1.11 4.05 -1.11 -1.95 114.93 117.94 1iwe h MET 239 Ca 0.10 -0.40 0.04 0.00 -0.28 0.00 0.00 59.70 59.15 1iwe h MET 239 Cb 0.05 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.79 1iwe h MET 239 CO -0.08 1.06 -0.02 -0.92 0.23 0.00 0.00 176.91 177.18 1iwe h TYR 240 N 0.74 -0.04 -0.71 1.39 3.20 -1.08 -1.07 116.97 119.39 1iwe h TYR 240 Ca 0.09 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.99 1iwe h TYR 240 Cb 0.79 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.08 1iwe h TYR 240 CO 0.06 -0.05 0.47 0.93 -1.64 0.00 0.00 178.16 177.92 1iwe h GLU 241 N 0.05 0.94 -0.34 1.82 4.39 -1.03 -1.11 114.58 119.31 1iwe h GLU 241 Ca 0.10 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 1iwe h GLU 241 Cb 0.13 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1iwe h GLU 241 CO -0.18 0.63 0.10 0.00 -1.16 0.00 0.00 179.01 178.40 1iwe h ALA 242 N 1.26 1.54 -0.00 3.43 0.00 -0.86 -1.87 119.26 122.75 1iwe h ALA 242 Ca 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1iwe h ALA 242 Cb -0.10 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1iwe h ALA 242 CO -0.06 0.35 -0.42 1.28 0.00 0.00 0.00 179.25 180.40 1iwe n LEU 243 N -4.37 0.67 0.00 0.00 4.77 -0.45 -4.29 117.00 113.34 1iwe n LEU 243 Ca 0.02 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1iwe n LEU 243 Cb 0.17 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1iwe n LEU 243 CO 0.37 0.15 0.27 1.41 -1.33 0.00 0.00 177.39 178.26 1iwe n HIS 244 N -1.22 0.00 -0.35 -1.77 8.25 -0.47 -0.30 115.22 119.35 1iwe n HIS 244 Ca 0.08 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1iwe n HIS 244 Cb 0.34 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.44 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 -0.06 1.94 3.76 -1.41 0.00 -0.73 -5.02 105.19 103.66 1iwe n GLY 245 Ca 0.00 -1.80 -0.38 0.00 0.00 0.00 0.00 46.02 43.84 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 4.65 3.34 -0.04 1.61 0.04 -1.26 -4.85 135.00 138.49 1iwe s PRO 246 Ca 0.00 2.13 -0.39 0.00 0.04 0.00 0.00 61.00 62.78 1iwe s PRO 246 Cb 0.00 -2.33 -0.17 0.00 0.04 0.00 0.00 34.50 32.04 1iwe s PRO 246 CO 0.00 -0.99 1.38 -0.35 0.04 0.00 0.00 177.00 177.08 1iwe n PRO 247 N -0.82 0.84 -3.96 0.56 -0.04 -1.26 -4.95 135.00 125.38 1iwe n PRO 247 Ca 0.09 0.31 -0.10 0.00 -0.04 0.00 0.00 63.50 63.76 1iwe n PRO 247 Cb 0.46 -1.92 -0.12 0.00 -0.04 0.00 0.00 33.50 31.88 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 1.16 0.25 -0.32 0.54 1.02 -1.26 -5.12 119.74 116.00 1iwe s LYS 248 Ca 0.90 -0.48 -0.11 0.00 0.02 0.00 0.00 55.97 56.30 1iwe s LYS 248 Cb -1.08 0.09 -0.01 0.00 -0.52 0.00 0.00 37.83 36.32 1iwe s LYS 248 CO 0.55 -0.04 0.18 -1.59 -0.92 0.00 0.00 175.35 173.53 1iwe s LYS 249 N -1.17 3.31 -0.19 1.68 0.00 -1.26 -4.84 119.74 117.28 1iwe s LYS 249 Ca -0.13 -0.74 -0.07 0.00 0.00 0.00 0.00 55.97 55.03 1iwe s LYS 249 Cb -0.08 -3.64 -0.04 0.00 0.00 0.00 0.00 37.83 34.08 1iwe s LYS 249 CO -0.01 -0.45 0.04 0.08 0.00 0.00 0.00 175.35 175.01 1iwe s VAL 250 N 1.63 4.51 -0.11 1.79 1.01 -1.26 -0.76 120.40 127.21 1iwe s VAL 250 Ca 0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 1iwe s VAL 250 Cb -0.17 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 1iwe s VAL 250 CO 0.07 0.45 -0.09 -0.22 0.00 0.00 0.00 175.10 175.31 1iwe s LEU 251 N 0.57 3.01 -0.22 3.92 2.96 0.14 -1.04 118.68 128.02 1iwe s LEU 251 Ca 0.02 -0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.74 1iwe s LEU 251 Cb -0.13 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 44.88 1iwe s LEU 251 CO 0.02 0.25 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.53 1iwe s VAL 252 N -0.12 3.06 -0.45 1.68 1.01 0.20 -0.84 120.40 124.95 1iwe s VAL 252 Ca 0.00 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.12 1iwe s VAL 252 Cb -0.13 -2.41 0.03 0.00 0.00 0.00 0.00 36.38 33.87 1iwe s VAL 252 CO 0.03 0.40 0.63 -0.70 0.00 0.00 0.00 175.10 175.46 1iwe s GLU 253 N 1.42 3.24 0.33 2.72 2.12 0.31 -1.74 118.70 127.10 1iwe s GLU 253 Ca 0.05 -0.47 -0.26 0.00 0.36 0.00 0.00 54.97 54.65 1iwe s GLU 253 Cb -0.14 -3.97 -0.10 0.00 0.26 0.00 0.00 34.13 30.17 1iwe s GLU 253 CO -0.05 -1.03 0.95 0.20 -0.54 0.00 0.00 175.26 174.78 1iwe s GLY 254 N 2.08 2.79 0.28 -1.50 0.00 -0.28 -4.22 107.32 106.48 1iwe s GLY 254 Ca 0.21 0.52 0.08 0.00 0.00 0.00 0.00 44.72 45.53 1iwe s GLY 254 CO 0.18 0.96 0.13 0.00 0.00 0.00 0.00 173.10 174.37 1iwe s ALA 255 N -1.63 3.46 0.00 3.20 0.00 -1.26 -4.76 121.76 120.77 1iwe s ALA 255 Ca 0.50 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1iwe s ALA 255 Cb -0.18 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 21.94 1iwe s ALA 255 CO 0.24 0.18 0.00 0.09 0.00 0.00 0.00 175.76 176.27 1iwe n ASN 256 N -1.10 0.00 -3.89 0.00 4.13 -1.26 -4.74 115.26 108.39 1iwe n ASN 256 Ca -0.06 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.12 1iwe n ASN 256 Cb 0.59 0.00 -0.04 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 -1.95 -0.69 0.19 5.41 0.00 -1.26 -4.10 121.76 119.37 1iwe s ALA 257 Ca 0.00 -0.62 -0.14 0.00 0.00 0.00 0.00 51.96 51.19 1iwe s ALA 257 Cb 0.00 0.96 0.19 0.00 0.00 0.00 0.00 23.12 24.27 1iwe s ALA 257 CO 0.00 -0.94 1.65 0.00 0.00 0.00 0.00 175.76 176.46 1iwe h ALA 258 N 2.13 0.39 0.00 0.00 0.00 -1.31 0.10 119.26 120.58 1iwe h ALA 258 Ca -0.23 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1iwe h ALA 258 Cb 1.25 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1iwe h ALA 258 CO 0.30 -0.43 0.00 1.28 0.00 0.00 0.00 179.25 180.40 1iwe n LEU 259 N -5.36 0.00 -0.12 0.00 4.77 -0.81 -2.04 117.00 113.45 1iwe n LEU 259 Ca 0.06 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.08 1iwe n LEU 259 Cb 0.29 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 1iwe n LEU 259 CO 0.09 0.00 0.10 0.18 -1.33 0.00 0.00 177.39 176.43 1iwe n LEU 260 N -0.65 0.84 -4.70 2.23 4.77 0.31 -1.59 117.00 118.21 1iwe n LEU 260 Ca 0.06 -0.64 -0.43 0.00 -0.03 0.00 0.00 56.01 54.97 1iwe n LEU 260 Cb 0.03 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1iwe n LEU 260 CO 0.05 0.18 1.34 -0.67 -1.33 0.00 0.00 177.39 176.95 1iwe n ASP 261 N -0.72 3.75 -0.32 -1.43 -0.08 -0.87 -0.53 116.55 116.35 1iwe n ASP 261 Ca 0.03 1.06 0.28 0.00 -1.51 0.00 0.00 54.79 54.65 1iwe n ASP 261 Cb 0.18 -1.53 0.61 0.00 2.34 0.00 0.00 41.12 42.72 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 3.86 0.46 0.01 5.18 2.10 -1.23 0.29 117.51 128.18 1iwe h ILE 262 Ca -0.44 -0.08 -0.30 0.00 1.08 0.00 0.00 64.86 65.13 1iwe h ILE 262 Cb 1.22 0.22 -0.04 0.00 -1.09 0.00 0.00 36.82 37.12 1iwe h ILE 262 CO 0.94 0.04 -1.62 0.47 -1.08 0.00 0.00 178.15 176.90 1iwe n ASP 263 N -4.46 1.91 -0.75 2.19 8.00 -1.26 -4.67 116.55 117.50 1iwe n ASP 263 Ca 0.26 0.37 0.10 0.00 0.71 0.00 0.00 54.79 56.24 1iwe n ASP 263 Cb 1.04 -0.92 0.07 0.00 -0.02 0.00 0.00 41.12 41.29 1iwe n ASP 263 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1iwe n PHE 264 N -4.28 0.00 -1.84 1.24 3.72 -1.08 -4.97 117.46 110.25 1iwe n PHE 264 Ca -0.37 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 56.85 1iwe n PHE 264 Cb 0.76 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 39.43 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 1.23 -0.83 2.89 1.37 0.00 0.98 -4.75 105.19 106.08 1iwe n GLY 265 Ca 0.11 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.99 3.37 -1.64 2.61 -2.24 -0.62 -4.92 114.28 107.86 1iwe n THR 266 Ca 0.11 -3.03 -0.42 0.00 -2.27 0.00 0.00 64.05 58.44 1iwe n THR 266 Cb 0.38 -2.55 0.00 0.00 -2.10 0.00 0.00 70.33 66.07 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 6.64 1.53 1.31 4.78 9.36 -1.26 -1.28 117.16 138.23 1iwe n TYR 267 Ca 0.51 0.58 0.09 0.00 3.32 0.00 0.00 57.90 62.40 1iwe n TYR 267 Cb 0.40 -2.29 0.36 0.00 -0.63 0.00 0.00 39.34 37.18 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 0.30 1.62 -1.42 2.98 -0.04 -1.26 -4.65 135.00 132.53 1iwe n PRO 268 Ca 0.08 -0.93 -0.39 0.00 -0.04 0.00 0.00 63.50 62.22 1iwe n PRO 268 Cb 0.37 -1.35 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.17 2.49 -4.24 0.54 3.72 -0.40 -4.83 117.46 114.90 1iwe n PHE 269 Ca 0.15 -3.06 -0.14 0.00 -0.05 0.00 0.00 57.45 54.35 1iwe n PHE 269 Cb 0.28 -2.41 -0.10 0.00 -0.94 0.00 0.00 39.48 36.30 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 1.77 0.18 0.58 -4.37 -7.23 -1.26 -4.59 120.40 105.48 1iwe s VAL 270 Ca 0.67 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.83 1iwe s VAL 270 Cb 0.18 -2.54 0.04 0.00 0.56 0.00 0.00 36.38 34.61 1iwe s VAL 270 CO -0.07 0.00 0.83 0.28 -0.31 0.00 0.00 175.10 175.84 1iwe s THR 271 N -3.99 2.69 -0.41 5.32 -1.32 0.31 -4.96 115.64 113.28 1iwe s THR 271 Ca 0.39 -0.53 0.06 0.00 -1.21 0.00 0.00 61.69 60.40 1iwe s THR 271 Cb 0.07 -3.05 0.51 0.00 -1.51 0.00 0.00 72.50 68.52 1iwe s THR 271 CO 0.13 -0.04 1.46 -1.20 -2.21 0.00 0.00 174.62 172.76 1iwe n SER 272 N -2.48 3.90 -4.39 8.08 7.64 -1.26 -2.99 113.62 122.12 1iwe n SER 272 Ca 0.07 -2.82 -0.19 0.00 1.01 0.00 0.00 58.87 56.94 1iwe n SER 272 Cb 0.60 -0.67 -0.10 0.00 -1.01 0.00 0.00 64.21 63.02 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 -0.53 2.03 -0.81 6.43 1.04 -1.26 -4.86 113.70 115.74 1iwe s SER 273 Ca 0.37 -1.32 -0.19 0.00 0.48 0.00 0.00 55.95 55.29 1iwe s SER 273 Cb 0.30 -0.02 0.13 0.00 0.10 0.00 0.00 66.02 66.53 1iwe s SER 273 CO 0.09 -0.59 0.98 0.20 0.98 0.00 0.00 173.24 174.90 1iwe s ASN 274 N -3.40 6.49 -0.01 7.02 -0.87 -1.26 -1.72 114.94 121.18 1iwe s ASN 274 Ca 0.34 -1.85 0.04 0.00 -1.57 0.00 0.00 52.86 49.82 1iwe s ASN 274 Cb 0.07 -2.36 0.14 0.00 -0.02 0.00 0.00 41.25 39.09 1iwe s ASN 274 CO 0.13 -1.07 1.00 0.00 -2.57 0.00 0.00 177.10 174.59 1iwe s THR 276 N -1.66 2.36 0.38 0.00 -4.23 -1.26 -4.64 115.64 106.58 1iwe s THR 276 Ca 0.10 -0.71 0.13 0.00 -1.18 0.00 0.00 61.69 60.03 1iwe s THR 276 Cb 0.06 -2.64 0.35 0.00 1.34 0.00 0.00 72.50 71.61 1iwe s THR 276 CO 0.06 0.00 1.84 1.62 -0.54 0.00 0.00 174.62 177.59 1iwe h VAL 277 N -0.14 0.71 -0.40 2.29 3.04 -1.87 -1.12 116.25 118.76 1iwe h VAL 277 Ca -0.37 -0.19 -0.02 0.00 -1.01 0.00 0.00 66.70 65.12 1iwe h VAL 277 Cb 1.28 0.11 -0.02 0.00 -2.01 0.00 0.00 31.29 30.66 1iwe h VAL 277 CO 0.44 0.10 0.18 1.23 -1.01 0.00 0.00 177.57 178.51 1iwe h GLY 278 N 0.55 0.59 1.60 3.17 0.00 -1.90 -1.12 103.07 105.95 1iwe h GLY 278 Ca 0.50 -0.26 0.03 0.00 0.00 0.00 0.00 47.33 47.59 1iwe h GLY 278 CO -0.23 0.25 0.18 -1.33 0.00 0.00 0.00 176.54 175.40 1iwe h GLY 279 N 0.68 0.00 0.81 4.60 0.00 -1.32 0.60 103.07 108.43 1iwe h GLY 279 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 1iwe h GLY 279 CO -0.02 0.00 0.01 -2.08 0.00 0.00 0.00 176.54 174.45 1iwe h VAL 280 N 0.00 1.25 0.08 4.60 2.07 -1.31 0.33 116.25 123.26 1iwe h VAL 280 Ca 0.04 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 1iwe h VAL 280 Cb 0.40 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1iwe h VAL 280 CO -0.00 0.25 -0.04 0.00 0.02 0.00 0.00 177.57 177.80 1iwe h THR 282 N -0.35 0.26 0.00 0.00 1.35 -1.42 0.17 112.91 112.92 1iwe h THR 282 Ca -0.01 -0.62 -0.04 0.00 -0.55 0.00 0.00 66.41 65.18 1iwe h THR 282 Cb 0.30 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.21 1iwe h THR 282 CO 0.02 0.08 -1.09 1.23 -0.25 0.00 0.00 175.52 175.51 1iwe h GLY 283 N 1.59 0.00 0.00 5.82 0.00 -0.18 -3.39 103.07 106.90 1iwe h GLY 283 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iwe h GLY 283 CO 0.01 0.00 -0.52 1.04 0.00 0.00 0.00 176.54 177.07 1iwe n LEU 284 N -2.74 0.01 -0.44 3.11 4.77 -0.67 -1.26 117.00 119.79 1iwe n LEU 284 Ca -0.02 -0.25 -0.02 0.00 -0.03 0.00 0.00 56.01 55.68 1iwe n LEU 284 Cb 0.62 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1iwe n LEU 284 CO 0.41 0.00 -0.01 0.61 -1.33 0.00 0.00 177.39 177.07 1iwe n GLY 285 N 1.74 0.44 3.43 -0.72 0.00 0.59 -4.54 105.19 106.13 1iwe n GLY 285 Ca 0.00 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.40 2.72 0.78 -0.61 -0.00 -1.16 -4.97 121.20 115.56 1iwe s ILE 286 Ca 0.02 -0.93 -0.11 0.00 -0.00 0.00 0.00 60.65 59.63 1iwe s ILE 286 Cb -0.01 -2.05 0.06 0.00 -0.00 0.00 0.00 42.46 40.46 1iwe s ILE 286 CO 0.02 0.54 1.10 -2.16 -0.00 0.00 0.00 174.94 174.44 1iwe s PRO 287 N -0.84 2.21 0.48 0.37 0.04 -1.26 -4.35 135.00 131.65 1iwe s PRO 287 Ca 0.12 0.60 0.26 0.00 0.04 0.00 0.00 61.00 62.01 1iwe s PRO 287 Cb -0.10 -1.94 1.31 0.00 0.04 0.00 0.00 34.50 33.81 1iwe s PRO 287 CO 0.01 -1.52 1.85 -1.00 0.04 0.00 0.00 177.00 176.38 1iwe h PRO 288 N -1.02 0.18 0.00 0.56 0.13 -1.99 -0.67 132.00 129.21 1iwe h PRO 288 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1iwe h PRO 288 Cb 1.27 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1iwe h PRO 288 CO 0.60 0.12 0.00 0.00 -0.23 0.00 0.00 178.00 178.49 1iwe n GLN 289 N -4.39 0.11 -0.33 0.86 0.00 -1.26 -1.58 117.38 110.78 1iwe n GLN 289 Ca 0.21 0.41 0.11 0.00 0.00 0.00 0.00 57.00 57.73 1iwe n GLN 289 Cb 0.90 -1.73 0.29 0.00 0.00 0.00 0.00 30.24 29.70 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 -1.93 3.62 -4.44 2.61 3.02 -0.26 -4.83 115.26 113.05 1iwe n ASN 290 Ca 0.02 -1.99 -0.36 0.00 -0.03 0.00 0.00 54.58 52.21 1iwe n ASN 290 Cb 0.16 -0.43 -0.13 0.00 -0.61 0.00 0.00 39.78 38.77 1iwe n ASN 290 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1iwe s ILE 291 N -1.14 4.20 0.00 2.41 -1.09 -0.61 -0.63 121.20 124.34 1iwe s ILE 291 Ca 0.45 -0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 1iwe s ILE 291 Cb 0.24 -2.95 0.00 0.00 -1.58 0.00 0.00 42.46 38.17 1iwe s ILE 291 CO 0.31 0.36 0.00 0.61 -1.23 0.00 0.00 174.94 174.99 1iwe n GLY 292 N 4.80 0.80 3.73 6.18 0.00 -0.11 -4.84 105.19 115.74 1iwe n GLY 292 Ca -0.16 0.00 -0.42 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 -0.35 6.54 -0.25 1.61 1.01 -1.25 -4.89 116.67 119.08 1iwe s ASP 293 Ca 0.00 2.72 0.02 0.00 0.71 0.00 0.00 52.55 56.00 1iwe s ASP 293 Cb 0.00 -2.61 0.06 0.00 1.01 0.00 0.00 42.92 41.38 1iwe s ASP 293 CO 0.00 -0.83 -0.09 -0.69 0.21 0.00 0.00 175.17 173.77 1iwe s VAL 294 N 0.72 1.96 -0.18 -1.27 1.01 -1.26 -0.69 120.40 120.68 1iwe s VAL 294 Ca 0.67 -1.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 1iwe s VAL 294 Cb -0.45 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 1iwe s VAL 294 CO 0.37 -0.06 0.22 -0.31 0.00 0.00 0.00 175.10 175.32 1iwe s TYR 295 N 1.20 3.42 -0.28 5.22 2.02 0.22 -0.38 117.35 128.77 1iwe s TYR 295 Ca -0.08 0.46 -0.11 0.00 -0.37 0.00 0.00 57.07 56.97 1iwe s TYR 295 Cb -0.20 -2.27 -0.05 0.00 -0.40 0.00 0.00 41.96 39.05 1iwe s TYR 295 CO -0.05 0.24 0.20 0.20 -1.57 0.00 0.00 175.55 174.56 1iwe s GLY 296 N 0.49 1.93 -0.39 0.71 0.00 -0.94 0.08 107.32 109.20 1iwe s GLY 296 Ca 0.12 -1.05 -0.27 0.00 0.00 0.00 0.00 44.72 43.53 1iwe s GLY 296 CO 0.02 0.65 0.97 0.14 0.00 0.00 0.00 173.10 174.88 1iwe s VAL 297 N 1.72 4.50 -0.23 1.40 1.01 0.12 -1.42 120.40 127.50 1iwe s VAL 297 Ca 0.08 1.19 -0.04 0.00 0.00 0.00 0.00 61.98 63.21 1iwe s VAL 297 Cb -0.16 -4.40 -0.00 0.00 0.00 0.00 0.00 36.38 31.82 1iwe s VAL 297 CO 0.10 -0.65 -0.03 -0.69 0.00 0.00 0.00 175.10 173.84 1iwe s VAL 298 N 3.68 3.37 0.36 2.92 1.01 0.89 -2.30 120.40 130.33 1iwe s VAL 298 Ca 0.40 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.55 1iwe s VAL 298 Cb -0.11 -2.58 -0.10 0.00 0.00 0.00 0.00 36.38 33.59 1iwe s VAL 298 CO 0.21 0.36 0.97 -0.75 0.00 0.00 0.00 175.10 175.89 1iwe s LYS 299 N 1.46 4.42 0.35 2.72 2.20 -1.26 0.08 119.74 129.70 1iwe s LYS 299 Ca 0.05 1.34 0.24 0.00 -0.36 0.00 0.00 55.97 57.23 1iwe s LYS 299 Cb -0.15 -2.62 1.27 0.00 -1.51 0.00 0.00 37.83 34.82 1iwe s LYS 299 CO -0.03 0.12 1.73 0.00 -0.36 0.00 0.00 175.35 176.81 1iwe h ALA 300 N 2.78 1.00 -2.85 3.13 0.00 -1.12 -3.43 119.26 118.76 1iwe h ALA 300 Ca -0.48 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.13 1iwe h ALA 300 Cb 1.20 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.88 1iwe h ALA 300 CO 0.64 0.00 -0.34 1.52 0.00 0.00 0.00 179.25 181.06 1iwe s TYR 301 N -3.58 1.20 -0.04 0.00 1.13 -1.26 -4.29 117.35 110.51 1iwe s TYR 301 Ca -0.02 -1.35 0.02 0.00 -1.41 0.00 0.00 57.07 54.30 1iwe s TYR 301 Cb 0.07 -0.31 -0.03 0.00 -1.10 0.00 0.00 41.96 40.59 1iwe s TYR 301 CO 0.23 -0.96 -0.07 0.99 -2.51 0.00 0.00 175.55 173.23 1iwe s THR 302 N -3.46 3.67 0.03 -3.49 2.01 -0.31 -4.79 115.64 109.30 1iwe s THR 302 Ca 0.34 -0.59 0.05 0.00 0.31 0.00 0.00 61.69 61.80 1iwe s THR 302 Cb 0.02 -2.53 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 1iwe s THR 302 CO 0.20 0.52 -0.14 0.42 -0.69 0.00 0.00 174.62 174.93 1iwe s THR 303 N -0.88 1.12 0.01 -0.82 -4.23 -1.26 -0.27 115.64 109.32 1iwe s THR 303 Ca 0.14 -0.95 0.01 0.00 -1.18 0.00 0.00 61.69 59.71 1iwe s THR 303 Cb -0.11 -1.01 -0.01 0.00 1.34 0.00 0.00 72.50 72.71 1iwe s THR 303 CO 0.04 0.05 -0.03 -0.60 -0.54 0.00 0.00 174.62 173.54 1iwe s ARG 304 N -1.02 0.27 -0.15 3.99 3.00 -0.16 -4.33 118.95 120.54 1iwe s ARG 304 Ca 0.02 -0.36 0.02 0.00 -1.00 0.00 0.00 55.73 54.41 1iwe s ARG 304 Cb -0.08 -0.09 0.01 0.00 0.00 0.00 0.00 34.95 34.80 1iwe s ARG 304 CO 0.01 0.01 -0.21 0.08 0.00 0.00 0.00 175.30 175.20 1iwe s VAL 305 N -0.72 2.11 0.00 7.11 1.01 -1.26 -0.95 120.40 127.69 1iwe s VAL 305 Ca -0.06 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 60.97 1iwe s VAL 305 Cb -0.05 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.47 1iwe s VAL 305 CO -0.00 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1iwe n GLY 306 N 4.26 0.74 3.76 4.51 0.00 -1.26 -5.00 105.19 112.19 1iwe n GLY 306 Ca -0.20 -2.03 -0.31 0.00 0.00 0.00 0.00 46.02 43.48 1iwe n GLY 306 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1iwe s ILE 307 N -1.51 3.15 0.00 -0.61 -4.36 -1.26 -4.98 121.20 111.63 1iwe s ILE 307 Ca 0.00 0.37 0.00 0.00 -0.26 0.00 0.00 60.65 60.76 1iwe s ILE 307 Cb 0.00 -2.86 0.00 0.00 1.25 0.00 0.00 42.46 40.85 1iwe s ILE 307 CO 0.00 -0.49 0.00 0.61 0.24 0.00 0.00 174.94 175.30 1iwe n GLY 308 N -1.20 3.74 3.77 6.27 0.00 -1.26 -5.01 105.19 111.50 1iwe n GLY 308 Ca 0.08 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 1iwe n GLY 308 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iwe s ALA 309 N -2.31 3.61 -0.44 4.61 0.00 -1.26 -4.98 121.76 120.99 1iwe s ALA 309 Ca 0.00 1.50 0.05 0.00 0.00 0.00 0.00 51.96 53.51 1iwe s ALA 309 Cb 0.00 -3.59 0.17 0.00 0.00 0.00 0.00 23.12 19.70 1iwe s ALA 309 CO 0.00 -0.94 0.48 0.12 0.00 0.00 0.00 175.76 175.41 1iwe s PHE 310 N -0.74 -0.20 0.31 0.00 2.19 -1.26 -5.01 117.98 113.27 1iwe s PHE 310 Ca 0.55 -1.32 0.05 0.00 0.33 0.00 0.00 56.93 56.54 1iwe s PHE 310 Cb -0.45 -0.36 0.85 0.00 -1.31 0.00 0.00 43.02 41.75 1iwe s PHE 310 CO 0.56 -1.02 1.59 -1.35 1.83 0.00 0.00 175.22 176.83 1iwe h PRO 311 N 5.83 0.06 -0.67 10.12 0.11 -1.94 -1.62 132.00 143.90 1iwe h PRO 311 Ca 0.14 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1iwe h PRO 311 Cb 1.02 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1iwe h PRO 311 CO 0.20 0.04 0.00 0.25 -0.21 0.00 0.00 178.00 178.28 1iwe n THR 312 N -5.38 1.57 -1.66 -1.15 -2.24 -1.26 -4.86 114.28 99.30 1iwe n THR 312 Ca 0.25 -1.09 -0.45 0.00 -2.27 0.00 0.00 64.05 60.50 1iwe n THR 312 Cb 0.84 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 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 1.20 1.89 -3.74 -0.78 2.13 -0.61 -2.40 120.64 118.33 1iwe n GLU 313 Ca 0.25 0.67 -0.36 0.00 0.66 0.00 0.00 57.16 58.38 1iwe n GLU 313 Cb 0.80 -2.29 -0.10 0.00 0.27 0.00 0.00 31.44 30.12 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 -0.51 2.47 -1.26 5.31 -1.52 0.31 -4.91 119.66 119.55 1iwe s GLN 314 Ca 0.68 -2.45 -0.12 0.00 -1.95 0.00 0.00 55.36 51.52 1iwe s GLN 314 Cb -0.68 -3.69 0.16 0.00 -0.22 0.00 0.00 33.01 28.57 1iwe s GLN 314 CO 0.51 -1.16 1.69 -0.89 -0.25 0.00 0.00 175.29 175.19 1iwe n ILE 315 N 3.60 4.23 -2.92 1.08 5.41 -1.26 -3.26 119.36 126.23 1iwe n ILE 315 Ca 0.07 -4.45 0.00 0.00 1.00 0.00 0.00 62.75 59.37 1iwe n ILE 315 Cb 0.38 -2.42 0.00 0.00 -0.71 0.00 0.00 39.64 36.89 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 5.09 0.00 -0.20 4.38 0.23 -1.26 -4.99 115.26 118.51 1iwe n ASN 316 Ca 0.40 -0.42 0.02 0.00 -0.53 0.00 0.00 54.58 54.05 1iwe n ASN 316 Cb 0.40 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.37 1iwe n ASN 316 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1iwe h GLU 317 N 0.00 0.92 -0.51 -3.83 4.11 -1.99 0.21 114.58 113.50 1iwe h GLU 317 Ca 0.00 -0.06 -0.07 0.00 0.07 0.00 0.00 59.36 59.30 1iwe h GLU 317 Cb 0.00 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1iwe h GLU 317 CO 0.00 0.61 0.03 0.82 0.07 0.00 0.00 179.01 180.54 1iwe h ILE 318 N 0.95 1.26 -0.62 -1.06 5.03 -1.96 0.20 117.51 121.31 1iwe h ILE 318 Ca 0.28 -1.03 -0.04 0.00 -0.12 0.00 0.00 64.86 63.95 1iwe h ILE 318 Cb -0.04 0.93 -0.03 0.00 -3.03 0.00 0.00 36.82 34.66 1iwe h ILE 318 CO -0.07 0.36 0.23 1.23 -0.68 0.00 0.00 178.15 179.22 1iwe h GLY 319 N 0.74 1.00 1.00 5.37 0.00 -1.38 -1.15 103.07 108.65 1iwe h GLY 319 Ca 0.15 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1iwe h GLY 319 CO 0.02 0.53 0.38 -0.55 0.00 0.00 0.00 176.54 176.92 1iwe h ASP 320 N 0.87 0.76 -0.13 0.19 3.32 -0.56 -0.69 116.42 120.17 1iwe h ASP 320 Ca 0.20 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.21 1iwe h ASP 320 Cb 0.23 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1iwe h ASP 320 CO -0.01 0.59 0.01 0.25 -1.72 0.00 0.00 179.24 178.37 1iwe h LEU 321 N 0.86 -0.02 -0.28 1.55 5.85 -0.16 -0.32 115.31 122.79 1iwe h LEU 321 Ca 0.23 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1iwe h LEU 321 Cb -0.03 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1iwe h LEU 321 CO -0.04 0.01 0.18 -0.07 -0.34 0.00 0.00 178.44 178.18 1iwe h LEU 322 N 0.07 0.32 -0.49 2.25 3.38 -0.94 -0.29 115.31 119.62 1iwe h LEU 322 Ca 0.06 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1iwe h LEU 322 Cb 0.06 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1iwe h LEU 322 CO -0.09 0.25 0.18 1.56 0.09 0.00 0.00 178.44 180.43 1iwe h GLN 323 N 0.36 0.35 0.35 1.13 4.20 -0.79 0.03 115.11 120.74 1iwe h GLN 323 Ca 0.10 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1iwe h GLN 323 Cb -0.02 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1iwe h GLN 323 CO -0.02 0.23 -0.17 -0.91 -0.67 0.00 0.00 178.83 177.29 1iwe h ASN 324 N 0.36 -0.40 0.30 1.46 2.35 -0.74 -1.75 115.58 117.16 1iwe h ASN 324 Ca 0.23 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1iwe h ASN 324 Cb 0.24 0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 1iwe h ASN 324 CO -0.23 0.02 -0.15 0.03 -1.65 0.00 0.00 177.43 175.45 1iwe h ARG 325 N -0.90 0.00 -0.22 0.81 3.08 -1.05 -2.26 114.38 113.84 1iwe h ARG 325 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1iwe h ARG 325 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1iwe h ARG 325 CO 0.08 0.15 0.00 0.41 -1.07 0.00 0.00 179.97 179.54 1iwe n GLY 326 N -0.80 1.06 4.13 0.04 0.00 -0.01 -4.88 105.19 104.73 1iwe n GLY 326 Ca -0.02 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 1iwe n GLY 326 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1iwe n HIS 327 N 1.06 -1.73 -2.63 1.61 8.25 -0.80 -4.84 115.22 116.15 1iwe n HIS 327 Ca 0.17 0.78 -0.42 0.00 -0.26 0.00 0.00 57.72 58.00 1iwe n HIS 327 Cb 0.52 -3.24 -0.02 0.00 1.12 0.00 0.00 29.99 28.36 1iwe n HIS 327 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1iwe s GLU 328 N -6.82 3.66 -0.10 -0.41 0.41 -0.72 -4.92 118.70 109.80 1iwe s GLU 328 Ca 0.48 -1.39 -0.29 0.00 -0.41 0.00 0.00 54.97 53.36 1iwe s GLU 328 Cb -0.26 -5.30 0.07 0.00 -1.78 0.00 0.00 34.13 26.85 1iwe s GLU 328 CO 0.91 -2.13 0.67 1.67 -0.49 0.00 0.00 175.26 175.89 1iwe s TRP 329 N 4.40 -0.67 -0.53 1.61 -2.14 -1.26 -1.29 118.94 119.05 1iwe s TRP 329 Ca 0.45 1.29 -0.30 0.00 2.66 0.00 0.00 56.10 60.20 1iwe s TRP 329 Cb -0.00 0.36 -0.12 0.00 -3.10 0.00 0.00 33.47 30.61 1iwe s TRP 329 CO -0.07 -0.54 2.38 0.41 -2.66 0.00 0.00 176.95 176.47 1iwe n GLY 330 N 1.38 0.21 0.53 3.67 0.00 0.18 -4.75 105.19 106.42 1iwe n GLY 330 Ca -0.18 0.87 0.31 0.00 0.00 0.00 0.00 46.02 47.02 1iwe n GLY 330 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1iwe h VAL 331 N 7.51 0.11 0.00 1.61 3.04 -1.93 0.79 116.25 127.39 1iwe h VAL 331 Ca -0.22 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 1iwe h VAL 331 Cb 1.29 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 1iwe h VAL 331 CO 1.14 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 178.05 1iwe n THR 332 N -3.51 0.00 0.27 3.17 -2.24 -1.26 -4.64 114.28 106.06 1iwe n THR 332 Ca 0.23 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.15 1iwe n THR 332 Cb 1.40 -0.87 0.59 0.00 -2.10 0.00 0.00 70.33 69.34 1iwe n THR 332 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iwe h THR 333 N 0.00 0.05 0.00 4.28 1.03 -1.96 -3.44 112.91 112.87 1iwe h THR 333 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1iwe h THR 333 Cb 0.00 0.46 0.00 0.00 -1.07 0.00 0.00 68.15 67.54 1iwe h THR 333 CO 0.00 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.12 1iwe n GLY 334 N -1.35 1.43 3.68 2.99 0.00 0.28 -4.95 105.19 107.26 1iwe n GLY 334 Ca 0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.58 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 2.11 -2.49 1.61 5.12 -1.26 -4.30 116.66 115.45 1iwe n ARG 335 Ca 0.00 0.75 -0.34 0.00 -1.93 0.00 0.00 57.85 56.33 1iwe n ARG 335 Cb 0.00 -2.44 -0.03 0.00 -1.16 0.00 0.00 32.46 28.83 1iwe n ARG 335 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1iwe s LYS 336 N -0.12 3.74 0.04 5.56 1.02 -1.26 0.52 119.74 129.24 1iwe s LYS 336 Ca 0.70 1.42 -0.09 0.00 0.02 0.00 0.00 55.97 58.03 1iwe s LYS 336 Cb -0.65 -2.11 -0.05 0.00 -0.52 0.00 0.00 37.83 34.50 1iwe s LYS 336 CO 0.47 -0.49 0.34 1.03 -0.92 0.00 0.00 175.35 175.78 1iwe s ARG 337 N -3.19 3.68 0.25 1.68 0.52 -0.41 -4.85 118.95 116.63 1iwe s ARG 337 Ca 0.68 0.07 -0.30 0.00 -0.52 0.00 0.00 55.73 55.66 1iwe s ARG 337 Cb -0.18 -3.05 -0.09 0.00 0.52 0.00 0.00 34.95 32.14 1iwe s ARG 337 CO 0.22 0.61 1.12 1.03 0.02 0.00 0.00 175.30 178.30 1iwe s ARG 338 N -1.76 4.61 0.10 3.54 0.52 -0.13 -4.89 118.95 120.94 1iwe s ARG 338 Ca 0.29 1.80 0.09 0.00 -0.52 0.00 0.00 55.73 57.39 1iwe s ARG 338 Cb -0.14 -3.21 -0.04 0.00 0.52 0.00 0.00 34.95 32.08 1iwe s ARG 338 CO 0.17 0.14 -0.22 0.00 0.02 0.00 0.00 175.30 175.40 1iwe s GLY 340 N -1.91 0.50 0.96 0.00 0.00 0.63 -0.53 107.32 106.97 1iwe s GLY 340 Ca 0.08 -0.83 -0.12 0.00 0.00 0.00 0.00 44.72 43.84 1iwe s GLY 340 CO 0.04 -0.39 1.09 -0.98 0.00 0.00 0.00 173.10 172.86 1iwe s TRP 341 N -2.48 2.10 0.59 1.90 0.52 -1.01 -1.16 118.94 119.40 1iwe s TRP 341 Ca 0.17 1.19 -0.20 0.00 0.02 0.00 0.00 56.10 57.28 1iwe s TRP 341 Cb -0.05 -3.19 -0.03 0.00 -1.15 0.00 0.00 33.47 29.05 1iwe s TRP 341 CO 0.12 -2.75 1.28 -1.17 0.02 0.00 0.00 176.95 174.45 1iwe s LEU 342 N -6.43 3.71 -0.32 2.99 2.96 -1.26 -3.36 118.68 116.97 1iwe s LEU 342 Ca 0.65 2.57 -0.00 0.00 -0.22 0.00 0.00 54.13 57.13 1iwe s LEU 342 Cb -0.19 -4.49 0.10 0.00 0.50 0.00 0.00 46.19 42.11 1iwe s LEU 342 CO 0.58 -1.68 0.10 -0.62 -1.32 0.00 0.00 176.35 173.41 1iwe s ASP 343 N -1.32 4.06 0.35 3.68 -1.08 -1.26 -0.95 116.67 120.15 1iwe s ASP 343 Ca 0.77 -1.70 0.26 0.00 -0.52 0.00 0.00 52.55 51.35 1iwe s ASP 343 Cb -0.36 -0.91 1.19 0.00 -1.46 0.00 0.00 42.92 41.38 1iwe s ASP 343 CO 0.40 -0.41 1.79 -0.07 0.52 0.00 0.00 175.17 177.40 1iwe h LEU 344 N 8.01 0.00 -0.30 -1.34 3.38 -1.45 -2.67 115.31 120.93 1iwe h LEU 344 Ca -0.13 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 1iwe h LEU 344 Cb 1.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1iwe h LEU 344 CO 0.47 0.00 -0.38 0.24 0.09 0.00 0.00 178.44 178.86 1iwe h MET 345 N 0.00 0.79 -0.08 1.13 2.86 -1.82 -0.99 114.93 116.82 1iwe h MET 345 Ca 0.00 -0.45 -0.18 0.00 -2.06 0.00 0.00 59.70 57.02 1iwe h MET 345 Cb 0.28 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1iwe h MET 345 CO 0.00 1.08 -0.71 -0.84 1.06 0.00 0.00 176.91 177.50 1iwe h ILE 346 N 0.56 1.38 0.03 -1.22 -0.00 -1.87 -2.51 117.51 113.87 1iwe h ILE 346 Ca 0.04 -2.13 -0.00 0.00 -0.00 0.00 0.00 64.86 62.77 1iwe h ILE 346 Cb 0.97 2.10 0.00 0.00 -0.00 0.00 0.00 36.82 39.89 1iwe h ILE 346 CO 0.09 0.64 -0.01 -0.07 -0.00 0.00 0.00 178.15 178.79 1iwe h LEU 347 N 0.26 -0.03 -1.01 0.16 -0.00 -1.41 0.13 115.31 113.41 1iwe h LEU 347 Ca -0.03 -0.17 0.01 0.00 -0.00 0.00 0.00 57.88 57.69 1iwe h LEU 347 Cb 1.27 0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 41.89 1iwe h LEU 347 CO 0.12 0.15 0.64 0.03 -0.00 0.00 0.00 178.44 179.37 1iwe h ARG 348 N -0.21 1.31 -0.63 1.13 3.08 -1.22 0.04 114.38 117.87 1iwe h ARG 348 Ca -0.00 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1iwe h ARG 348 Cb 0.20 -0.29 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 1iwe h ARG 348 CO 0.01 0.88 0.38 -0.92 -1.07 0.00 0.00 179.97 179.25 1iwe h TYR 349 N 1.34 0.84 0.00 3.04 3.20 -1.25 0.13 116.97 124.27 1iwe h TYR 349 Ca 0.36 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.18 1iwe h TYR 349 Cb -0.13 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 37.86 1iwe h TYR 349 CO 0.00 0.57 -0.24 0.00 -1.64 0.00 0.00 178.16 176.85 1iwe h ALA 350 N 1.20 1.34 0.17 1.82 0.00 -0.05 -2.63 119.26 121.12 1iwe h ALA 350 Ca 0.23 -0.22 -0.31 0.00 0.00 0.00 0.00 54.91 54.62 1iwe h ALA 350 Cb -0.02 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 17.76 1iwe h ALA 350 CO -0.04 0.30 -1.30 1.25 0.00 0.00 0.00 179.25 179.45 1iwe h HIS 351 N 0.00 0.98 -0.88 0.00 -0.00 0.00 -0.88 115.15 114.36 1iwe h HIS 351 Ca -0.00 -0.66 0.11 0.00 -0.00 0.00 0.00 60.37 59.82 1iwe h HIS 351 Cb 0.51 -0.06 -0.07 0.00 -0.00 0.00 0.00 27.41 27.79 1iwe h HIS 351 CO 0.00 1.50 0.57 0.52 -0.00 0.00 0.00 177.93 180.52 1iwe h MET 352 N 0.18 0.79 0.00 5.26 2.07 -0.45 0.57 114.93 123.35 1iwe h MET 352 Ca -0.21 -0.05 -0.01 0.00 -2.07 0.00 0.00 59.70 57.36 1iwe h MET 352 Cb 1.99 -0.18 -0.00 0.00 -1.87 0.00 0.00 31.60 31.54 1iwe h MET 352 CO 0.25 0.52 -0.06 0.28 1.07 0.00 0.00 176.91 178.97 1iwe h VAL 353 N 0.81 1.76 0.00 -2.22 2.07 -1.50 -3.39 116.25 113.78 1iwe h VAL 353 Ca 0.42 -2.34 -0.06 0.00 0.82 0.00 0.00 66.70 65.54 1iwe h VAL 353 Cb 0.51 3.34 -0.01 0.00 -1.52 0.00 0.00 31.29 33.61 1iwe h VAL 353 CO -0.19 0.60 -0.68 0.78 0.02 0.00 0.00 177.57 178.10 1iwe h ASN 354 N -1.00 0.00 -5.90 0.57 2.35 -0.96 -3.45 115.58 107.19 1iwe h ASN 354 Ca -0.02 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.36 1iwe h ASN 354 Cb 1.01 0.00 0.11 0.00 0.05 0.00 0.00 38.32 39.49 1iwe h ASN 354 CO -0.01 0.23 -0.85 0.61 -1.65 0.00 0.00 177.43 175.76 1iwe n GLY 355 N 1.21 -0.60 3.67 2.83 0.00 0.20 -4.81 105.19 107.68 1iwe n GLY 355 Ca -0.00 0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.01 1.78 -0.03 1.61 0.99 -1.26 -4.78 117.46 111.75 1iwe n PHE 356 Ca -0.22 0.51 0.03 0.00 -0.00 0.00 0.00 57.45 57.78 1iwe n PHE 356 Cb 0.65 -2.32 -0.16 0.00 -1.00 0.00 0.00 39.48 36.66 1iwe n PHE 356 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1iwe n THR 357 N -0.40 0.55 -3.50 4.37 -2.24 0.49 -4.96 114.28 108.59 1iwe n THR 357 Ca 0.08 -0.63 -0.11 0.00 -2.27 0.00 0.00 64.05 61.12 1iwe n THR 357 Cb 0.40 -0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.40 1iwe n THR 357 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iwe s ALA 358 N -3.14 -1.57 0.23 6.98 0.00 -1.23 -4.56 121.76 118.47 1iwe s ALA 358 Ca -0.08 0.42 0.12 0.00 0.00 0.00 0.00 51.96 52.42 1iwe s ALA 358 Cb 0.11 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 24.00 1iwe s ALA 358 CO 0.87 -0.81 -0.22 -0.51 0.00 0.00 0.00 175.76 175.10 1iwe s LEU 359 N -2.75 2.51 -0.33 0.00 1.43 0.23 -2.22 118.68 117.55 1iwe s LEU 359 Ca 0.03 -0.94 0.03 0.00 -1.03 0.00 0.00 54.13 52.22 1iwe s LEU 359 Cb -0.02 -1.12 0.09 0.00 0.03 0.00 0.00 46.19 45.17 1iwe s LEU 359 CO -0.09 0.07 0.02 0.00 0.23 0.00 0.00 176.35 176.59 1iwe s ALA 360 N -2.08 2.84 -0.41 4.21 0.00 -0.51 -0.59 121.76 125.22 1iwe s ALA 360 Ca 0.25 -2.31 -0.24 0.00 0.00 0.00 0.00 51.96 49.65 1iwe s ALA 360 Cb -0.06 -1.92 0.02 0.00 0.00 0.00 0.00 23.12 21.15 1iwe s ALA 360 CO 0.12 -1.56 0.85 -1.17 0.00 0.00 0.00 175.76 174.00 1iwe s LEU 361 N 0.99 4.10 0.29 0.00 2.96 0.44 -0.08 118.68 127.38 1iwe s LEU 361 Ca 0.05 0.25 0.08 0.00 -0.22 0.00 0.00 54.13 54.29 1iwe s LEU 361 Cb -0.20 -3.10 -0.04 0.00 0.50 0.00 0.00 46.19 43.36 1iwe s LEU 361 CO -0.07 -0.87 0.17 0.42 -1.32 0.00 0.00 176.35 174.68 1iwe s THR 362 N 3.37 3.75 -1.46 3.68 -4.23 0.11 0.02 115.64 120.88 1iwe s THR 362 Ca 0.34 -1.56 -0.09 0.00 -1.18 0.00 0.00 61.69 59.20 1iwe s THR 362 Cb -0.12 -3.15 0.04 0.00 1.34 0.00 0.00 72.50 70.60 1iwe s THR 362 CO 0.21 -0.28 0.82 0.29 -0.54 0.00 0.00 174.62 175.12 1iwe n LYS 363 N -1.16 -5.57 0.04 3.99 5.02 -1.11 -0.63 118.16 118.73 1iwe n LYS 363 Ca -0.05 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 1iwe n LYS 363 Cb 0.59 -5.64 0.32 0.00 -0.02 0.00 0.00 35.03 30.28 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 -1.82 0.41 -1.83 -0.35 5.85 -1.51 -2.58 115.31 113.48 1iwe h LEU 364 Ca -0.54 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.15 1iwe h LEU 364 Cb 1.36 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 1iwe h LEU 364 CO 0.59 0.51 0.20 -2.24 -0.34 0.00 0.00 178.44 177.16 1iwe h ASP 365 N 0.41 0.19 -0.16 1.25 3.04 -1.82 -1.53 116.42 117.80 1iwe h ASP 365 Ca 0.09 -0.00 0.05 0.00 -3.24 0.00 0.00 57.03 53.92 1iwe h ASP 365 Cb 0.36 -0.04 -0.01 0.00 -1.04 0.00 0.00 39.33 38.60 1iwe h ASP 365 CO 0.02 0.13 0.15 0.40 -2.04 0.00 0.00 179.24 177.89 1iwe h ILE 366 N 0.22 0.65 -0.02 4.15 5.03 -1.80 0.13 117.51 125.86 1iwe h ILE 366 Ca 0.13 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.87 1iwe h ILE 366 Cb 0.24 0.89 0.00 0.00 -3.03 0.00 0.00 36.82 34.92 1iwe h ILE 366 CO -0.02 0.00 -0.01 0.18 -0.68 0.00 0.00 178.15 177.61 1iwe n LEU 367 N -4.07 1.55 -0.10 1.44 4.77 -0.58 -4.39 117.00 115.63 1iwe n LEU 367 Ca 0.01 -0.51 0.26 0.00 -0.03 0.00 0.00 56.01 55.74 1iwe n LEU 367 Cb 0.27 -0.01 0.72 0.00 -2.33 0.00 0.00 43.42 42.07 1iwe n LEU 367 CO 0.30 0.26 1.24 0.44 -1.33 0.00 0.00 177.39 178.30 1iwe h ASP 368 N 2.42 0.00 -0.01 -1.43 5.19 -1.02 -2.86 116.42 118.72 1iwe h ASP 368 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1iwe h ASP 368 Cb 0.53 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.04 1iwe h ASP 368 CO 0.00 0.00 -0.78 1.33 -3.12 0.00 0.00 179.24 176.67 1iwe n VAL 369 N -4.01 0.00 -2.62 -1.35 0.24 -1.26 -1.44 118.33 107.89 1iwe n VAL 369 Ca 0.15 -0.11 -0.38 0.00 -2.04 0.00 0.00 64.34 61.96 1iwe n VAL 369 Cb 0.90 1.09 -0.05 0.00 -1.47 0.00 0.00 33.84 34.31 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 -2.77 4.41 0.21 1.34 1.43 -1.08 -4.86 118.68 117.36 1iwe s LEU 370 Ca 0.11 2.04 0.09 0.00 -1.03 0.00 0.00 54.13 55.35 1iwe s LEU 370 Cb 0.16 -3.87 0.13 0.00 0.03 0.00 0.00 46.19 42.64 1iwe s LEU 370 CO 0.73 -0.16 1.48 0.28 0.23 0.00 0.00 176.35 178.91 1iwe h SER 371 N 3.37 0.00 -5.05 2.29 0.02 -1.92 -3.36 113.55 108.90 1iwe h SER 371 Ca -0.47 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.39 1iwe h SER 371 Cb 1.21 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.58 1iwe h SER 371 CO 0.65 0.77 -0.21 -1.83 -1.14 0.00 0.00 176.83 175.07 1iwe s GLU 372 N -3.23 0.85 -0.07 3.45 -1.05 -1.26 -0.51 118.70 116.87 1iwe s GLU 372 Ca -0.00 -0.50 0.02 0.00 -0.15 0.00 0.00 54.97 54.34 1iwe s GLU 372 Cb 0.11 0.37 0.01 0.00 -0.44 0.00 0.00 34.13 34.19 1iwe s GLU 372 CO 0.78 -0.28 -0.12 0.42 0.95 0.00 0.00 175.26 177.02 1iwe s ILE 373 N -2.66 1.12 0.31 1.83 -1.09 0.18 -4.78 121.20 116.11 1iwe s ILE 373 Ca -0.04 -0.46 0.01 0.00 -2.23 0.00 0.00 60.65 57.93 1iwe s ILE 373 Cb -0.00 -1.04 -0.03 0.00 -1.58 0.00 0.00 42.46 39.80 1iwe s ILE 373 CO -0.04 0.36 0.50 -0.54 -1.23 0.00 0.00 174.94 173.98 1iwe s LYS 374 N 0.77 3.49 -0.15 2.79 1.02 -1.26 0.37 119.74 126.77 1iwe s LYS 374 Ca -0.13 -0.39 -0.07 0.00 0.02 0.00 0.00 55.97 55.41 1iwe s LYS 374 Cb -0.15 -2.72 0.06 0.00 -0.52 0.00 0.00 37.83 34.50 1iwe s LYS 374 CO 0.02 0.23 0.34 0.54 -0.92 0.00 0.00 175.35 175.57 1iwe s VAL 375 N -2.19 -0.24 -0.04 3.17 0.11 -0.41 -4.22 120.40 116.58 1iwe s VAL 375 Ca 0.39 0.16 -0.30 0.00 -2.93 0.00 0.00 61.98 59.30 1iwe s VAL 375 Cb -0.10 -0.53 -0.05 0.00 -1.53 0.00 0.00 36.38 34.17 1iwe s VAL 375 CO 0.34 0.07 1.47 -0.83 -3.33 0.00 0.00 175.10 172.82 1iwe s GLY 376 N 1.83 1.69 -0.08 6.54 0.00 -0.12 -1.26 107.32 115.94 1iwe s GLY 376 Ca -0.06 0.84 0.14 0.00 0.00 0.00 0.00 44.72 45.64 1iwe s GLY 376 CO -0.11 2.70 0.20 0.29 0.00 0.00 0.00 173.10 176.18 1iwe n ILE 377 N 5.06 0.45 -3.75 0.90 -5.35 -0.01 -1.13 119.36 115.53 1iwe n ILE 377 Ca 0.15 -0.46 -0.08 0.00 -0.27 0.00 0.00 62.75 62.08 1iwe n ILE 377 Cb 0.43 -0.21 -0.02 0.00 -1.74 0.00 0.00 39.64 38.10 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 -4.19 -0.33 -0.05 7.28 1.04 -1.22 -4.62 113.70 111.61 1iwe s SER 378 Ca -0.06 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 55.95 1iwe s SER 378 Cb 0.07 0.69 -0.03 0.00 0.10 0.00 0.00 66.02 66.85 1iwe s SER 378 CO 0.60 -1.24 -0.14 -0.31 0.98 0.00 0.00 173.24 173.13 1iwe s TYR 379 N -3.88 2.71 -0.10 5.02 2.02 -1.26 -1.87 117.35 119.99 1iwe s TYR 379 Ca 0.09 -0.15 0.03 0.00 -0.37 0.00 0.00 57.07 56.67 1iwe s TYR 379 Cb -0.04 -1.63 0.01 0.00 -0.40 0.00 0.00 41.96 39.89 1iwe s TYR 379 CO 0.02 0.20 -0.20 0.15 -1.57 0.00 0.00 175.55 174.14 1iwe s LYS 380 N -0.76 2.67 0.00 -0.62 1.02 0.36 -0.71 119.74 121.72 1iwe s LYS 380 Ca 0.12 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.36 1iwe s LYS 380 Cb -0.11 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 1iwe s LYS 380 CO 0.01 0.11 0.00 -0.11 -0.92 0.00 0.00 175.35 174.43 1iwe n LEU 381 N 3.69 0.00 -0.21 3.17 7.94 -0.33 0.13 117.00 131.39 1iwe n LEU 381 Ca -0.20 0.00 0.30 0.00 -1.11 0.00 0.00 56.01 55.00 1iwe n LEU 381 Cb 0.52 0.00 0.59 0.00 0.53 0.00 0.00 43.42 45.06 1iwe n LEU 381 CO 0.27 0.00 1.28 0.78 -1.11 0.00 0.00 177.39 178.61 1iwe h ASN 382 N 0.00 0.00 0.00 1.96 2.35 -2.00 -3.39 115.58 114.50 1iwe h ASN 382 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1iwe h ASN 382 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1iwe h ASN 382 CO 0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 1iwe n GLY 383 N -1.69 0.00 3.72 2.83 0.00 -1.26 -5.15 105.19 103.63 1iwe n GLY 383 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.01 2.60 0.27 1.61 -0.14 -1.26 -5.04 119.74 117.77 1iwe s LYS 384 Ca 0.00 -1.14 -0.29 0.00 -1.36 0.00 0.00 55.97 53.17 1iwe s LYS 384 Cb 0.00 -2.40 -0.09 0.00 -1.68 0.00 0.00 37.83 33.65 1iwe s LYS 384 CO 0.00 0.42 1.21 1.03 -0.76 0.00 0.00 175.35 177.25 1iwe s ARG 385 N -3.43 4.49 -0.24 1.68 0.52 -1.26 -1.19 118.95 119.53 1iwe s ARG 385 Ca 0.31 1.98 -0.11 0.00 -0.52 0.00 0.00 55.73 57.39 1iwe s ARG 385 Cb -0.08 -3.16 -0.05 0.00 0.52 0.00 0.00 34.95 32.18 1iwe s ARG 385 CO 0.21 -0.03 0.19 0.96 0.02 0.00 0.00 175.30 176.66 1iwe s ILE 386 N -0.80 5.34 -2.00 1.52 -4.36 0.12 -4.90 121.20 116.12 1iwe s ILE 386 Ca 0.49 0.24 0.15 0.00 -0.26 0.00 0.00 60.65 61.26 1iwe s ILE 386 Cb -0.35 -3.53 0.42 0.00 1.25 0.00 0.00 42.46 40.25 1iwe s ILE 386 CO 0.44 0.33 1.46 -0.81 0.24 0.00 0.00 174.94 176.60 1iwe n PRO 387 N 4.37 0.86 -4.15 0.37 -0.04 -1.26 -4.44 135.00 130.70 1iwe n PRO 387 Ca -0.14 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.22 1iwe n PRO 387 Cb 0.52 -1.27 -0.10 0.00 -0.04 0.00 0.00 33.50 32.61 1iwe n PRO 387 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1iwe s TYR 388 N -2.00 0.82 -0.32 0.54 1.13 -1.26 -5.12 117.35 111.14 1iwe s TYR 388 Ca 0.22 -1.00 -0.24 0.00 -1.41 0.00 0.00 57.07 54.64 1iwe s TYR 388 Cb 0.10 -0.50 0.00 0.00 -1.10 0.00 0.00 41.96 40.47 1iwe s TYR 388 CO 0.17 -0.25 0.83 0.12 -2.51 0.00 0.00 175.55 173.90 1iwe s PHE 389 N -3.75 3.18 0.31 -3.49 5.36 -1.26 -5.00 117.98 113.33 1iwe s PHE 389 Ca 0.13 0.82 -0.29 0.00 -0.96 0.00 0.00 56.93 56.62 1iwe s PHE 389 Cb 0.06 -3.32 -0.12 0.00 -0.34 0.00 0.00 43.02 39.30 1iwe s PHE 389 CO -0.05 -0.63 1.42 -2.30 -1.46 0.00 0.00 175.22 172.20 1iwe n PRO 390 N 6.34 2.33 0.05 10.12 -0.02 -1.26 -4.95 135.00 147.61 1iwe n PRO 390 Ca 0.05 0.82 -0.11 0.00 -2.02 0.00 0.00 63.50 62.24 1iwe n PRO 390 Cb 0.48 -2.49 -0.13 0.00 -0.02 0.00 0.00 33.50 31.34 1iwe n PRO 390 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iwe h ALA 391 N 3.49 0.41 -2.66 3.55 0.00 -1.97 -3.46 119.26 118.62 1iwe h ALA 391 Ca -0.47 -1.09 -0.52 0.00 0.00 0.00 0.00 54.91 52.82 1iwe h ALA 391 Cb 1.26 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1iwe h ALA 391 CO 0.69 1.28 0.25 1.21 0.00 0.00 0.00 179.25 182.68 1iwe s ASN 392 N -6.68 7.40 0.26 0.00 3.04 -1.26 -4.65 114.94 113.05 1iwe s ASN 392 Ca -0.04 1.67 -0.02 0.00 0.04 0.00 0.00 52.86 54.51 1iwe s ASN 392 Cb 0.08 -2.53 0.34 0.00 -1.54 0.00 0.00 41.25 37.61 1iwe s ASN 392 CO 0.84 0.06 1.80 1.56 -3.04 0.00 0.00 177.10 178.31 1iwe h GLN 393 N 5.09 0.87 -0.63 0.43 1.08 -1.89 -2.08 115.11 117.98 1iwe h GLN 393 Ca -0.45 -0.19 -0.07 0.00 -1.45 0.00 0.00 58.65 56.49 1iwe h GLN 393 Cb 1.21 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 28.49 1iwe h GLN 393 CO 0.70 0.80 0.11 1.05 -0.95 0.00 0.00 178.83 180.53 1iwe h GLU 394 N 0.83 1.03 -0.10 1.46 4.11 -1.98 0.52 114.58 120.44 1iwe h GLU 394 Ca 0.18 -0.26 -0.04 0.00 0.07 0.00 0.00 59.36 59.31 1iwe h GLU 394 Cb 0.34 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1iwe h GLU 394 CO 0.00 0.94 -0.10 0.82 0.07 0.00 0.00 179.01 180.74 1iwe h ILE 395 N 0.97 1.36 -0.07 -1.06 5.03 -1.94 -2.68 117.51 119.11 1iwe h ILE 395 Ca 0.20 -1.25 0.02 0.00 -0.12 0.00 0.00 64.86 63.70 1iwe h ILE 395 Cb 0.40 1.96 -0.00 0.00 -3.03 0.00 0.00 36.82 36.15 1iwe h ILE 395 CO 0.01 0.36 0.05 0.25 -0.68 0.00 0.00 178.15 178.14 1iwe h LEU 396 N -0.15 0.00 -0.57 1.44 5.85 -1.23 0.12 115.31 120.77 1iwe h LEU 396 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1iwe h LEU 396 Cb 0.62 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1iwe h LEU 396 CO 0.03 0.00 0.00 -0.61 -0.34 0.00 0.00 178.44 177.52 1iwe h GLN 397 N 0.00 0.00 0.00 1.25 5.75 -0.72 -3.20 115.11 118.19 1iwe h GLN 397 Ca 0.03 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1iwe h GLN 397 Cb 0.14 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.69 1iwe h GLN 397 CO -0.00 0.00 -0.92 1.63 -2.65 0.00 0.00 178.83 176.89 1iwe n LYS 398 N -3.03 0.03 -1.93 1.69 5.02 0.37 -5.00 118.16 115.31 1iwe n LYS 398 Ca 0.03 -0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 1iwe n LYS 398 Cb 0.43 -1.51 -0.01 0.00 -0.02 0.00 0.00 35.03 33.93 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 -3.02 2.32 -0.15 -0.18 -7.23 -0.87 -4.87 120.40 106.39 1iwe s VAL 399 Ca 0.08 0.33 -0.10 0.00 -1.81 0.00 0.00 61.98 60.47 1iwe s VAL 399 Cb 0.16 -3.21 -0.05 0.00 0.56 0.00 0.00 36.38 33.85 1iwe s VAL 399 CO 0.83 0.08 0.20 -0.70 -0.31 0.00 0.00 175.10 175.20 1iwe s GLU 400 N -1.96 3.95 -0.15 4.82 2.12 0.34 -4.90 118.70 122.91 1iwe s GLU 400 Ca 0.51 -0.06 -0.06 0.00 0.36 0.00 0.00 54.97 55.72 1iwe s GLU 400 Cb -0.44 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 1iwe s GLU 400 CO 0.59 0.47 0.07 0.08 -0.54 0.00 0.00 175.26 175.93 1iwe s VAL 401 N -0.18 4.87 -0.26 3.70 1.01 -1.26 0.14 120.40 128.42 1iwe s VAL 401 Ca 0.14 -0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 1iwe s VAL 401 Cb -0.12 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 1iwe s VAL 401 CO 0.03 0.52 0.16 -0.70 0.00 0.00 0.00 175.10 175.11 1iwe s GLU 402 N -0.14 3.97 0.19 2.72 2.12 -0.78 -4.97 118.70 121.82 1iwe s GLU 402 Ca 0.07 -0.31 0.05 0.00 0.36 0.00 0.00 54.97 55.14 1iwe s GLU 402 Cb -0.12 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 1iwe s GLU 402 CO 0.01 -0.06 0.18 0.71 -0.54 0.00 0.00 175.26 175.56 1iwe s TYR 403 N 1.40 3.18 -0.14 5.30 2.02 -1.26 -0.83 117.35 127.02 1iwe s TYR 403 Ca 0.07 -0.03 0.03 0.00 -0.37 0.00 0.00 57.07 56.76 1iwe s TYR 403 Cb -0.15 -1.50 0.01 0.00 -0.40 0.00 0.00 41.96 39.93 1iwe s TYR 403 CO 0.07 0.52 -0.22 -2.00 -1.57 0.00 0.00 175.55 172.35 1iwe s GLU 404 N -3.38 3.01 -0.22 -0.62 2.56 -0.39 -4.91 118.70 114.76 1iwe s GLU 404 Ca 0.32 -0.85 -0.14 0.00 0.00 0.00 0.00 54.97 54.30 1iwe s GLU 404 Cb -0.09 -2.41 -0.04 0.00 2.00 0.00 0.00 34.13 33.58 1iwe s GLU 404 CO 0.25 0.00 0.32 0.99 -0.56 0.00 0.00 175.26 176.26 1iwe s THR 405 N 0.78 5.25 0.04 -1.70 2.01 -1.26 -1.29 115.64 119.46 1iwe s THR 405 Ca -0.08 0.53 0.07 0.00 0.31 0.00 0.00 61.69 62.52 1iwe s THR 405 Cb -0.16 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 1iwe s THR 405 CO -0.01 0.27 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.26 1iwe s LEU 406 N 1.30 2.64 0.35 4.42 1.43 0.16 -4.95 118.68 124.03 1iwe s LEU 406 Ca 0.15 -0.41 -0.26 0.00 -1.03 0.00 0.00 54.13 52.57 1iwe s LEU 406 Cb -0.14 -1.54 -0.09 0.00 0.03 0.00 0.00 46.19 44.45 1iwe s LEU 406 CO 0.07 0.25 1.09 -2.16 0.23 0.00 0.00 176.35 175.84 1iwe s PRO 407 N -1.46 4.32 0.66 1.29 0.04 -1.26 0.47 135.00 139.06 1iwe s PRO 407 Ca 0.15 1.70 -0.09 0.00 0.04 0.00 0.00 61.00 62.80 1iwe s PRO 407 Cb -0.11 -2.82 0.02 0.00 0.04 0.00 0.00 34.50 31.63 1iwe s PRO 407 CO 0.06 -0.04 1.02 0.20 0.04 0.00 0.00 177.00 178.27 1iwe s GLY 408 N -1.21 1.62 0.13 0.56 0.00 0.33 -4.71 107.32 104.05 1iwe s GLY 408 Ca 0.52 -0.53 0.23 0.00 0.00 0.00 0.00 44.72 44.95 1iwe s GLY 408 CO 0.35 -0.19 1.11 -2.67 0.00 0.00 0.00 173.10 171.71 1iwe n TRP 409 N -2.84 0.65 -4.03 1.90 2.14 -1.26 -4.83 117.44 109.17 1iwe n TRP 409 Ca 0.06 0.19 -0.41 0.00 2.07 0.00 0.00 57.50 59.40 1iwe n TRP 409 Cb 0.58 -0.73 0.01 0.00 -0.81 0.00 0.00 31.31 30.35 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 -2.32 -0.64 -3.50 -2.67 5.02 -1.21 -4.95 118.16 107.89 1iwe n LYS 410 Ca 0.01 0.16 -0.17 0.00 -2.02 0.00 0.00 58.31 56.30 1iwe n LYS 410 Cb 0.49 -3.03 -0.05 0.00 -0.02 0.00 0.00 35.03 32.42 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 -3.64 -1.72 -0.42 7.82 0.00 -0.52 -4.99 121.76 118.30 1iwe s ALA 411 Ca 0.41 1.11 -0.29 0.00 0.00 0.00 0.00 51.96 53.19 1iwe s ALA 411 Cb -0.21 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.14 1iwe s ALA 411 CO 0.95 -0.46 1.20 0.34 0.00 0.00 0.00 175.76 177.79 1iwe s ASP 412 N -1.56 6.64 0.00 0.00 3.68 -1.26 -4.58 116.67 119.58 1iwe s ASP 412 Ca -0.08 0.73 0.21 0.00 2.13 0.00 0.00 52.55 55.53 1iwe s ASP 412 Cb -0.00 -2.55 0.56 0.00 -1.45 0.00 0.00 42.92 39.48 1iwe s ASP 412 CO 0.04 -1.20 1.47 0.35 0.13 0.00 0.00 175.17 175.97 1iwe n THR 413 N 6.64 0.92 -0.13 1.71 -2.24 -1.26 -4.59 114.28 115.33 1iwe n THR 413 Ca 0.13 -0.96 0.15 0.00 -2.27 0.00 0.00 64.05 61.10 1iwe n THR 413 Cb 0.48 0.57 0.51 0.00 -2.10 0.00 0.00 70.33 69.80 1iwe n THR 413 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1iwe h THR 414 N 3.96 0.82 -0.02 4.28 2.02 -1.90 -1.87 112.91 120.20 1iwe h THR 414 Ca 0.00 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1iwe h THR 414 Cb 0.95 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1iwe h THR 414 CO 0.00 0.07 -0.16 0.61 0.37 0.00 0.00 175.52 176.41 1iwe n GLY 415 N -1.53 0.02 3.72 2.16 0.00 -1.26 -4.85 105.19 103.45 1iwe n GLY 415 Ca 0.13 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 0.12 1.58 -0.17 4.61 0.00 -0.71 -4.88 120.51 121.06 1iwe n ALA 416 Ca 0.14 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1iwe n ALA 416 Cb 0.42 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 0.33 0.00 -4.20 0.00 5.12 -1.26 -4.64 116.66 112.01 1iwe n ARG 417 Ca 0.04 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.79 1iwe n ARG 417 Cb 0.38 -0.02 -0.11 0.00 -1.16 0.00 0.00 32.46 31.55 1iwe n ARG 417 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1iwe s LYS 418 N 0.00 0.91 0.49 5.56 1.02 -1.26 -4.61 119.74 121.85 1iwe s LYS 418 Ca 0.00 -1.13 0.15 0.00 0.02 0.00 0.00 55.97 55.01 1iwe s LYS 418 Cb 0.00 -0.77 1.16 0.00 -0.52 0.00 0.00 37.83 37.70 1iwe s LYS 418 CO 0.00 0.15 2.09 2.35 -0.92 0.00 0.00 175.35 179.02 1iwe h TRP 419 N 3.76 0.17 0.00 3.18 2.91 -1.95 -0.39 115.95 123.63 1iwe h TRP 419 Ca -0.39 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.63 1iwe h TRP 419 Cb 1.19 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.79 1iwe h TRP 419 CO 0.64 0.10 0.00 0.93 -1.03 0.00 0.00 178.44 179.08 1iwe h GLU 420 N 0.18 0.00 0.00 2.65 3.07 -2.00 -2.98 114.58 115.50 1iwe h GLU 420 Ca 0.10 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.90 1iwe h GLU 420 Cb 0.16 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1iwe h GLU 420 CO -0.02 0.00 -0.26 -0.44 -1.40 0.00 0.00 179.01 176.89 1iwe h ASP 421 N 0.00 0.00 -3.30 1.42 3.32 -1.47 -3.45 116.42 112.95 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 0.48 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1iwe h ASP 421 CO 0.00 0.26 0.47 -0.76 -1.72 0.00 0.00 179.24 177.49 1iwe s LEU 422 N -6.35 4.37 1.10 1.55 1.43 -1.13 -4.92 118.68 114.72 1iwe s LEU 422 Ca 0.05 1.82 -0.12 0.00 -1.03 0.00 0.00 54.13 54.86 1iwe s LEU 422 Cb 0.06 -3.57 0.25 0.00 0.03 0.00 0.00 46.19 42.96 1iwe s LEU 422 CO 0.71 -0.37 1.06 -2.16 0.23 0.00 0.00 176.35 175.82 1iwe s PRO 423 N 1.08 -0.42 0.19 1.29 0.04 -1.26 -4.64 135.00 131.27 1iwe s PRO 423 Ca 0.55 1.07 -0.15 0.00 0.04 0.00 0.00 61.00 62.51 1iwe s PRO 423 Cb -0.25 -1.59 0.16 0.00 0.04 0.00 0.00 34.50 32.86 1iwe s PRO 423 CO 0.28 -3.46 1.65 -1.35 0.04 0.00 0.00 177.00 174.16 1iwe h PRO 424 N -2.44 -0.00 0.00 0.56 0.11 -1.97 -2.02 132.00 126.24 1iwe h PRO 424 Ca -0.56 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.50 1iwe h PRO 424 Cb 1.31 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 1iwe h PRO 424 CO 0.47 -0.00 -0.20 1.96 -0.21 0.00 0.00 178.00 180.02 1iwe h GLN 425 N -0.00 0.00 0.02 1.05 7.50 -1.89 -0.54 115.11 121.25 1iwe h GLN 425 Ca 0.24 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.39 1iwe h GLN 425 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.90 1iwe h GLN 425 CO -0.52 0.20 -0.01 0.00 -1.50 0.00 0.00 178.83 177.00 1iwe h ALA 426 N 1.80 -0.03 -0.90 3.87 0.00 -1.75 -1.90 119.26 120.35 1iwe h ALA 426 Ca -0.00 -0.37 0.11 0.00 0.00 0.00 0.00 54.91 54.66 1iwe h ALA 426 Cb 0.50 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1iwe h ALA 426 CO 0.03 -0.11 0.58 1.96 0.00 0.00 0.00 179.25 181.70 1iwe h GLN 427 N -0.83 0.81 -0.32 0.00 4.20 -1.28 0.26 115.11 117.96 1iwe h GLN 427 Ca -0.00 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 1iwe h GLN 427 Cb 0.74 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1iwe h GLN 427 CO 0.00 0.54 -0.11 1.03 -0.67 0.00 0.00 178.83 179.63 1iwe h SER 428 N 0.84 0.53 -0.14 1.46 0.87 -1.09 -1.58 113.55 114.44 1iwe h SER 428 Ca 0.43 -0.14 -0.18 0.00 -1.23 0.00 0.00 61.79 60.68 1iwe h SER 428 Cb 0.51 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1iwe h SER 428 CO -0.20 0.67 -0.57 0.22 -0.53 0.00 0.00 176.83 176.42 1iwe h TYR 429 N 0.51 0.94 -0.76 2.24 3.20 0.26 -1.67 116.97 121.68 1iwe h TYR 429 Ca 0.09 -0.34 -0.04 0.00 3.14 0.00 0.00 58.73 61.58 1iwe h TYR 429 Cb 0.49 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 1iwe h TYR 429 CO 0.02 1.14 0.33 0.28 -1.64 0.00 0.00 178.16 178.29 1iwe h VAL 430 N 0.56 1.25 -0.58 1.81 2.07 -0.55 -2.80 116.25 118.01 1iwe h VAL 430 Ca 0.01 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 66.68 1iwe h VAL 430 Cb 1.16 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1iwe h VAL 430 CO 0.12 0.31 0.01 0.03 0.02 0.00 0.00 177.57 178.06 1iwe h ARG 431 N 1.09 1.02 -0.24 1.57 3.08 -1.19 -2.17 114.38 117.54 1iwe h ARG 431 Ca 0.26 -0.32 0.06 0.00 0.07 0.00 0.00 59.98 60.05 1iwe h ARG 431 Cb 0.17 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.07 1iwe h ARG 431 CO -0.03 1.00 -0.15 0.35 -1.07 0.00 0.00 179.97 180.08 1iwe h PHE 432 N 0.91 -0.37 0.05 3.04 3.57 -1.06 0.35 116.94 123.44 1iwe h PHE 432 Ca 0.17 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1iwe h PHE 432 Cb 0.54 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 1iwe h PHE 432 CO 0.04 -0.22 -0.06 0.28 -2.23 0.00 0.00 178.31 176.12 1iwe h VAL 433 N -0.13 0.85 -0.10 1.41 2.07 -1.38 -0.80 116.25 118.18 1iwe h VAL 433 Ca 0.13 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.70 1iwe h VAL 433 Cb 0.33 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 1iwe h VAL 433 CO -0.32 0.00 -0.34 -0.33 0.02 0.00 0.00 177.57 176.60 1iwe h GLU 434 N -0.14 -0.41 0.07 1.57 5.08 -0.71 -1.29 114.58 118.75 1iwe h GLU 434 Ca 0.01 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1iwe h GLU 434 Cb 0.14 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1iwe h GLU 434 CO -0.03 -0.28 -0.07 -0.91 -1.00 0.00 0.00 179.01 176.73 1iwe h ASN 435 N -0.43 -0.19 0.86 1.42 2.35 -0.18 0.67 115.58 120.07 1iwe h ASN 435 Ca 0.09 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1iwe h ASN 435 Cb 0.56 0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.00 1iwe h ASN 435 CO -0.34 -0.11 -0.12 0.45 -1.65 0.00 0.00 177.43 175.66 1iwe h HIS 436 N -0.16 0.00 0.00 1.19 3.86 -1.02 -3.03 115.15 115.99 1iwe h HIS 436 Ca 0.01 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 1iwe h HIS 436 Cb 0.16 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 1iwe h HIS 436 CO -0.11 0.12 -1.77 -1.33 0.86 0.00 0.00 177.93 175.70 1iwe n MET 437 N -3.30 0.65 -0.99 2.45 2.81 -0.50 -4.94 117.12 113.30 1iwe n MET 437 Ca -0.00 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1iwe n MET 437 Cb 0.34 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 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 1.40 0.49 3.20 3.03 0.00 0.21 -4.94 105.19 108.58 1iwe n GLY 438 Ca -0.12 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.00 1.77 0.49 1.61 1.01 -1.15 -5.04 120.40 117.10 1iwe s VAL 439 Ca 0.00 -0.90 -0.21 0.00 0.00 0.00 0.00 61.98 60.87 1iwe s VAL 439 Cb 0.00 -1.51 -0.07 0.00 0.00 0.00 0.00 36.38 34.80 1iwe s VAL 439 CO 0.00 0.50 1.12 0.00 0.00 0.00 0.00 175.10 176.72 1iwe s ALA 440 N -0.01 2.86 -0.25 5.51 0.00 -1.26 -4.35 121.76 124.26 1iwe s ALA 440 Ca -0.05 0.83 -0.17 0.00 0.00 0.00 0.00 51.96 52.57 1iwe s ALA 440 Cb -0.13 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 1iwe s ALA 440 CO 0.04 -0.62 0.46 0.08 0.00 0.00 0.00 175.76 175.72 1iwe s VAL 441 N -1.70 5.12 -0.16 0.00 1.01 -1.26 -0.60 120.40 122.81 1iwe s VAL 441 Ca 0.67 0.77 0.18 0.00 0.00 0.00 0.00 61.98 63.60 1iwe s VAL 441 Cb -0.25 -3.78 -0.25 0.00 0.00 0.00 0.00 36.38 32.10 1iwe s VAL 441 CO 0.29 0.14 0.23 1.17 0.00 0.00 0.00 175.10 176.93 1iwe n LYS 442 N 5.26 0.68 -4.18 2.72 4.81 0.24 -4.69 118.16 122.98 1iwe n LYS 442 Ca -0.06 0.01 -0.16 0.00 -0.87 0.00 0.00 58.31 57.23 1iwe n LYS 442 Cb 0.50 -1.57 -0.14 0.00 0.02 0.00 0.00 35.03 33.84 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 -2.66 0.55 -0.17 5.64 0.51 -1.05 -0.89 118.94 120.88 1iwe s TRP 443 Ca -0.09 -0.14 0.01 0.00 -2.12 0.00 0.00 56.10 53.76 1iwe s TRP 443 Cb 0.07 -0.35 0.03 0.00 -0.81 0.00 0.00 33.47 32.41 1iwe s TRP 443 CO 0.84 -0.02 -0.14 0.08 -0.51 0.00 0.00 176.95 177.20 1iwe s VAL 444 N -0.27 1.70 -0.10 4.03 1.01 -0.40 -0.42 120.40 125.95 1iwe s VAL 444 Ca 0.01 -0.84 -0.14 0.00 0.00 0.00 0.00 61.98 61.01 1iwe s VAL 444 Cb -0.03 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 1iwe s VAL 444 CO -0.00 0.37 0.34 -0.83 0.00 0.00 0.00 175.10 174.98 1iwe s GLY 445 N 1.41 2.32 -0.06 4.51 0.00 0.10 -1.74 107.32 113.86 1iwe s GLY 445 Ca 0.03 -0.36 0.09 0.00 0.00 0.00 0.00 44.72 44.48 1iwe s GLY 445 CO -0.10 0.30 1.04 3.33 0.00 0.00 0.00 173.10 177.67 1iwe n VAL 446 N 2.86 1.04 -3.62 1.40 0.24 -0.66 -1.41 118.33 118.18 1iwe n VAL 446 Ca -0.13 -1.22 -0.01 0.00 -2.04 0.00 0.00 64.34 60.94 1iwe n VAL 446 Cb 0.52 0.17 -0.01 0.00 -1.47 0.00 0.00 33.84 33.05 1iwe n VAL 446 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1iwe s GLY 447 N -1.86 -0.29 0.13 7.63 0.00 -1.21 -4.51 107.32 107.22 1iwe s GLY 447 Ca 0.16 1.61 -0.15 0.00 0.00 0.00 0.00 44.72 46.34 1iwe s GLY 447 CO 0.01 0.50 1.63 0.50 0.00 0.00 0.00 173.10 175.74 1iwe h LYS 448 N 2.00 0.70 -7.14 2.90 1.57 -1.98 -3.44 116.57 111.18 1iwe h LYS 448 Ca -0.11 -0.18 -0.55 0.00 -1.87 0.00 0.00 60.65 57.94 1iwe h LYS 448 Cb 1.15 -0.09 0.17 0.00 0.08 0.00 0.00 32.23 33.54 1iwe h LYS 448 CO 0.22 0.72 0.46 -1.54 -0.57 0.00 0.00 179.45 178.74 1iwe s SER 449 N -6.07 4.25 0.43 0.86 1.04 -1.26 -4.42 113.70 108.53 1iwe s SER 449 Ca -0.13 2.55 0.11 0.00 0.48 0.00 0.00 55.95 58.96 1iwe s SER 449 Cb 0.10 -2.61 0.98 0.00 0.10 0.00 0.00 66.02 64.59 1iwe s SER 449 CO 0.78 -2.24 2.04 -0.09 0.98 0.00 0.00 173.24 174.71 1iwe h ARG 450 N 0.06 0.42 0.00 4.02 2.43 -1.78 -1.23 114.38 118.29 1iwe h ARG 450 Ca -0.49 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1iwe h ARG 450 Cb 1.33 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1iwe h ARG 450 CO 0.51 0.28 0.00 1.05 -1.51 0.00 0.00 179.97 180.29 1iwe h GLU 451 N 0.43 0.00 -2.09 0.20 9.09 -1.91 -3.35 114.58 116.95 1iwe h GLU 451 Ca 0.18 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.49 1iwe h GLU 451 Cb 0.18 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.24 1iwe h GLU 451 CO -0.04 0.00 -0.16 0.43 0.05 0.00 0.00 179.01 179.28 1iwe n SER 452 N -2.53 4.54 -4.40 3.06 7.64 -0.46 -4.83 113.62 116.64 1iwe n SER 452 Ca 0.04 -2.29 -0.20 0.00 1.01 0.00 0.00 58.87 57.43 1iwe n SER 452 Cb 0.43 -1.13 -0.10 0.00 -1.01 0.00 0.00 64.21 62.40 1iwe n SER 452 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1iwe s MET 453 N 0.90 1.49 -0.09 1.43 -1.94 -1.26 -1.65 119.30 118.18 1iwe s MET 453 Ca 0.35 -1.75 -0.03 0.00 -1.71 0.00 0.00 55.69 52.55 1iwe s MET 453 Cb 0.17 -1.06 0.04 0.00 2.01 0.00 0.00 34.83 35.99 1iwe s MET 453 CO 0.00 0.03 0.07 0.42 -0.01 0.00 0.00 175.02 175.53 1iwe s ILE 454 N -3.08 -0.07 -0.17 2.53 1.09 -0.71 -4.57 121.20 116.23 1iwe s ILE 454 Ca 0.29 0.18 -0.16 0.00 -1.10 0.00 0.00 60.65 59.85 1iwe s ILE 454 Cb 0.04 -0.34 -0.04 0.00 -1.06 0.00 0.00 42.46 41.06 1iwe s ILE 454 CO 0.11 0.00 0.41 -1.58 -0.10 0.00 0.00 174.94 173.78 1iwe s GLN 455 N 2.15 4.24 0.00 2.79 0.74 -1.26 -1.28 119.66 127.03 1iwe s GLN 455 Ca 0.04 0.27 0.24 0.00 0.05 0.00 0.00 55.36 55.96 1iwe s GLN 455 Cb -0.14 -3.49 0.37 0.00 1.10 0.00 0.00 33.01 30.85 1iwe s GLN 455 CO -0.05 0.06 1.32 1.28 -0.55 0.00 0.00 175.29 177.34 1iwe n LEU 456 N 4.11 1.01 0.00 3.68 4.77 -0.07 -4.77 117.00 125.73 1iwe n LEU 456 Ca -0.08 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1iwe n LEU 456 Cb 0.51 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1iwe n LEU 456 CO 0.41 0.21 0.00 2.22 -1.33 0.00 0.00 177.39 178.90