#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wby n PRO 45 N 0.00 1.96 -0.00 3.52 -0.04 -1.26 -4.37 135.00 134.81 2wby n PRO 45 Ca 0.00 -1.40 0.15 0.00 -0.04 0.00 0.00 63.50 62.21 2wby n PRO 45 Cb 0.00 -0.93 0.78 0.00 -0.04 0.00 0.00 33.50 33.31 2wby n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wby n ALA 46 N -0.49 2.64 -3.56 0.55 0.00 -1.26 -4.65 120.51 113.74 2wby n ALA 46 Ca 0.02 -0.29 -0.36 0.00 0.00 0.00 0.00 53.44 52.81 2wby n ALA 46 Cb 0.38 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 18.32 2wby n ALA 46 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wby s ILE 47 N -2.00 3.37 0.19 0.00 1.01 -1.26 0.32 121.20 122.83 2wby s ILE 47 Ca 0.44 -1.54 -0.10 0.00 0.00 0.00 0.00 60.65 59.44 2wby s ILE 47 Cb 0.21 -3.06 0.10 0.00 0.01 0.00 0.00 42.46 39.72 2wby s ILE 47 CO 0.35 -0.35 1.71 0.50 0.00 0.00 0.00 174.94 177.16 2wby h LYS 48 N 8.10 1.03 -2.98 2.79 3.64 -1.19 -3.44 116.57 124.53 2wby h LYS 48 Ca -0.19 -0.23 0.06 0.00 -1.27 0.00 0.00 60.65 59.02 2wby h LYS 48 Cb 1.06 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.68 2wby h LYS 48 CO 0.62 0.91 0.24 0.50 -2.27 0.00 0.00 179.45 179.44 2wby s ARG 49 N -5.38 1.69 0.06 1.90 3.52 -0.64 -4.98 118.95 115.12 2wby s ARG 49 Ca -0.12 -0.90 0.04 0.00 -0.13 0.00 0.00 55.73 54.62 2wby s ARG 49 Cb 0.14 0.60 -0.03 0.00 -1.56 0.00 0.00 34.95 34.10 2wby s ARG 49 CO 0.83 -0.77 -0.13 0.42 -0.81 0.00 0.00 175.30 174.84 2wby s ILE 50 N -3.87 0.97 -0.39 4.11 1.01 -1.26 -1.16 121.20 120.60 2wby s ILE 50 Ca 0.10 -1.20 -0.28 0.00 0.00 0.00 0.00 60.65 59.27 2wby s ILE 50 Cb -0.05 -0.94 0.02 0.00 0.01 0.00 0.00 42.46 41.50 2wby s ILE 50 CO 0.04 -0.23 1.07 -0.83 0.00 0.00 0.00 174.94 175.00 2wby s GLY 51 N -1.60 1.46 0.11 6.18 0.00 2.15 -4.88 107.32 110.74 2wby s GLY 51 Ca -0.03 -0.29 -0.28 0.00 0.00 0.00 0.00 44.72 44.12 2wby s GLY 51 CO 0.02 2.28 1.62 3.43 0.00 0.00 0.00 173.10 180.45 2wby h ASN 52 N 8.59 -0.88 -2.63 1.64 -0.26 -1.97 -3.33 115.58 116.74 2wby h ASN 52 Ca -0.22 0.10 -0.37 0.00 -0.56 0.00 0.00 56.30 55.25 2wby h ASN 52 Cb 1.06 0.33 -0.37 0.00 -1.06 0.00 0.00 38.32 38.28 2wby h ASN 52 CO 1.06 -0.41 -0.67 -1.00 -1.06 0.00 0.00 177.43 175.36 2wby s HIS 53 N -6.02 -0.13 -0.21 1.19 3.76 -1.26 -5.08 115.29 107.54 2wby s HIS 53 Ca -0.16 -0.06 -0.29 0.00 -0.15 0.00 0.00 55.06 54.40 2wby s HIS 53 Cb 0.08 -0.50 -0.00 0.00 1.11 0.00 0.00 32.58 33.26 2wby s HIS 53 CO 0.64 -0.64 1.20 0.42 -0.85 0.00 0.00 174.74 175.52 2wby s ILE 54 N 2.26 4.37 -0.07 0.60 1.09 -1.26 -4.86 121.20 123.33 2wby s ILE 54 Ca 0.06 1.64 -0.30 0.00 -1.10 0.00 0.00 60.65 60.95 2wby s ILE 54 Cb -0.16 -4.13 -0.03 0.00 -1.06 0.00 0.00 42.46 37.08 2wby s ILE 54 CO -0.16 -0.23 1.29 -0.89 -0.10 0.00 0.00 174.94 174.85 2wby s THR 55 N 3.59 4.08 0.36 2.92 2.01 -0.99 -4.95 115.64 122.66 2wby s THR 55 Ca 0.52 1.40 0.03 0.00 0.31 0.00 0.00 61.69 63.95 2wby s THR 55 Cb -0.19 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 2wby s THR 55 CO 0.14 -0.04 0.10 -1.59 -0.69 0.00 0.00 174.62 172.53 2wby s LYS 56 N 2.70 1.77 0.36 4.92 -2.85 -1.26 -4.36 119.74 121.02 2wby s LYS 56 Ca 0.59 -2.04 -0.28 0.00 -1.00 0.00 0.00 55.97 53.25 2wby s LYS 56 Cb -0.26 -0.70 -0.10 0.00 -2.06 0.00 0.00 37.83 34.72 2wby s LYS 56 CO 0.22 -0.34 1.31 0.45 0.10 0.00 0.00 175.35 177.08 2wby s SER 57 N -3.53 6.57 0.51 0.03 0.15 -1.26 -4.86 113.70 111.30 2wby s SER 57 Ca 0.30 2.68 0.22 0.00 0.70 0.00 0.00 55.95 59.85 2wby s SER 57 Cb 0.06 -2.64 1.30 0.00 -1.71 0.00 0.00 66.02 63.02 2wby s SER 57 CO 0.15 -0.67 2.00 -0.65 1.20 0.00 0.00 173.24 175.26 2wby h PRO 58 N 3.07 0.10 0.00 5.44 0.11 -1.87 -1.02 132.00 137.82 2wby h PRO 58 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2wby h PRO 58 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2wby h PRO 58 CO 0.64 0.06 -0.02 0.39 -0.21 0.00 0.00 178.00 178.87 2wby n GLU 59 N -4.42 0.07 -2.99 1.05 -0.58 -1.26 -4.85 120.64 107.67 2wby n GLU 59 Ca 0.09 0.06 -0.42 0.00 -0.42 0.00 0.00 57.16 56.47 2wby n GLU 59 Cb 0.51 -1.58 -0.05 0.00 -0.57 0.00 0.00 31.44 29.75 2wby n GLU 59 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2wby s ASP 60 N -3.43 6.60 0.00 1.62 2.15 -0.39 -4.89 116.67 118.33 2wby s ASP 60 Ca 0.13 0.55 0.25 0.00 0.43 0.00 0.00 52.55 53.91 2wby s ASP 60 Cb 0.17 -2.38 0.49 0.00 -0.30 0.00 0.00 42.92 40.90 2wby s ASP 60 CO 0.55 -0.59 1.40 0.29 -0.17 0.00 0.00 175.17 176.65 2wby n LYS 61 N 6.14 0.07 -0.98 4.34 5.02 -1.26 -4.85 118.16 126.65 2wby n LYS 61 Ca 0.02 -0.04 -0.32 0.00 -2.02 0.00 0.00 58.31 55.95 2wby n LYS 61 Cb 0.48 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 34.13 2wby n LYS 61 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wby s ARG 62 N -2.96 1.52 0.12 1.97 0.52 -1.26 -5.00 118.95 113.86 2wby s ARG 62 Ca 0.12 1.53 0.10 0.00 -0.52 0.00 0.00 55.73 56.96 2wby s ARG 62 Cb 0.18 -1.78 -0.04 0.00 0.52 0.00 0.00 34.95 33.82 2wby s ARG 62 CO 0.69 -2.26 -0.21 -1.21 0.02 0.00 0.00 175.30 172.33 2wby s GLU 63 N -4.52 1.64 0.02 3.54 2.02 -0.56 -4.98 118.70 115.87 2wby s GLU 63 Ca 0.67 -1.24 0.03 0.00 0.02 0.00 0.00 54.97 54.45 2wby s GLU 63 Cb -0.23 -2.03 -0.02 0.00 0.10 0.00 0.00 34.13 31.95 2wby s GLU 63 CO 0.55 0.47 -0.09 0.71 0.02 0.00 0.00 175.26 176.91 2wby s TYR 64 N -1.11 0.78 -0.11 1.61 1.51 -1.26 0.37 117.35 119.15 2wby s TYR 64 Ca 0.16 -0.32 -0.07 0.00 -1.01 0.00 0.00 57.07 55.84 2wby s TYR 64 Cb -0.10 -0.48 0.04 0.00 -0.11 0.00 0.00 41.96 41.31 2wby s TYR 64 CO 0.09 -0.02 0.26 0.50 -1.11 0.00 0.00 175.55 175.26 2wby s ARG 65 N -0.95 0.24 -0.01 -0.62 3.52 -0.45 -4.64 118.95 116.05 2wby s ARG 65 Ca -0.02 0.49 -0.03 0.00 -0.13 0.00 0.00 55.73 56.04 2wby s ARG 65 Cb -0.07 -0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.25 2wby s ARG 65 CO 0.00 -0.12 0.18 0.20 -0.81 0.00 0.00 175.30 174.76 2wby s GLY 66 N 0.91 2.18 0.02 8.12 0.00 -1.25 0.48 107.32 117.77 2wby s GLY 66 Ca -0.06 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 43.90 2wby s GLY 66 CO -0.06 -0.66 -0.04 1.08 0.00 0.00 0.00 173.10 173.42 2wby s LEU 67 N -1.97 2.19 -0.19 0.66 1.02 0.11 0.54 118.68 121.04 2wby s LEU 67 Ca 0.28 -0.40 -0.01 0.00 0.02 0.00 0.00 54.13 54.02 2wby s LEU 67 Cb -0.13 -0.04 0.01 0.00 0.02 0.00 0.00 46.19 46.05 2wby s LEU 67 CO 0.19 -0.19 -0.13 -0.70 0.02 0.00 0.00 176.35 175.54 2wby s GLU 68 N -1.15 3.18 0.71 1.70 2.12 -0.31 0.53 118.70 125.47 2wby s GLU 68 Ca -0.10 -0.74 -0.11 0.00 0.36 0.00 0.00 54.97 54.38 2wby s GLU 68 Cb -0.08 -2.74 0.01 0.00 0.26 0.00 0.00 34.13 31.59 2wby s GLU 68 CO -0.00 -0.16 1.08 -0.51 -0.54 0.00 0.00 175.26 175.13 2wby s LEU 69 N 1.25 2.94 0.28 2.70 1.43 -0.49 -0.90 118.68 125.90 2wby s LEU 69 Ca 0.03 1.32 0.01 0.00 -1.03 0.00 0.00 54.13 54.46 2wby s LEU 69 Cb -0.14 -4.14 0.57 0.00 0.03 0.00 0.00 46.19 42.51 2wby s LEU 69 CO -0.07 -1.40 1.79 0.00 0.23 0.00 0.00 176.35 176.90 2wby h ALA 70 N -0.69 1.44 0.00 4.21 0.00 -0.43 0.09 119.26 123.87 2wby h ALA 70 Ca -0.45 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2wby h ALA 70 Cb 1.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2wby h ALA 70 CO 0.61 0.04 0.00 0.27 0.00 0.00 0.00 179.25 180.18 2wby n ASN 71 N -4.75 0.00 0.00 0.00 0.23 -1.26 -4.90 115.26 104.57 2wby n ASN 71 Ca 0.19 -0.03 0.00 0.00 -0.53 0.00 0.00 54.58 54.21 2wby n ASN 71 Cb 0.42 -0.30 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 2wby n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wby n GLY 72 N 0.79 0.52 3.68 4.83 0.00 0.02 -3.57 105.19 111.46 2wby n GLY 72 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2wby n GLY 72 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wby s ILE 73 N -2.00 3.25 -0.11 -0.61 1.01 -1.20 -4.65 121.20 116.89 2wby s ILE 73 Ca 0.00 0.59 -0.27 0.00 0.00 0.00 0.00 60.65 60.97 2wby s ILE 73 Cb 0.00 -3.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 2wby s ILE 73 CO 0.00 -0.02 0.91 -0.54 0.00 0.00 0.00 174.94 175.29 2wby s LYS 74 N 3.02 4.40 -0.03 2.79 1.02 -0.99 -1.39 119.74 128.55 2wby s LYS 74 Ca 0.73 1.21 0.06 0.00 0.02 0.00 0.00 55.97 57.99 2wby s LYS 74 Cb -0.37 -3.53 -0.01 0.00 -0.52 0.00 0.00 37.83 33.39 2wby s LYS 74 CO 0.31 -0.24 -0.21 0.08 -0.92 0.00 0.00 175.35 174.38 2wby s VAL 75 N 1.78 1.67 -0.16 3.17 1.01 0.19 -0.24 120.40 127.82 2wby s VAL 75 Ca 0.44 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 2wby s VAL 75 Cb -0.18 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 2wby s VAL 75 CO 0.17 0.47 -0.13 -0.22 0.00 0.00 0.00 175.10 175.40 2wby s LEU 76 N -0.31 2.62 -0.07 3.92 0.20 -0.69 -0.71 118.68 123.64 2wby s LEU 76 Ca 0.03 -0.41 -0.03 0.00 0.69 0.00 0.00 54.13 54.41 2wby s LEU 76 Cb -0.10 -1.61 -0.04 0.00 -0.43 0.00 0.00 46.19 44.02 2wby s LEU 76 CO 0.01 0.09 0.08 -0.76 -0.29 0.00 0.00 176.35 175.48 2wby s LEU 77 N 0.78 3.97 -0.23 -0.68 1.43 0.18 -1.89 118.68 122.22 2wby s LEU 77 Ca -0.05 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 2wby s LEU 77 Cb -0.15 -2.05 0.06 0.00 0.03 0.00 0.00 46.19 44.08 2wby s LEU 77 CO 0.01 0.36 -0.05 -0.63 0.23 0.00 0.00 176.35 176.27 2wby s ILE 78 N -1.03 1.49 -0.38 -0.59 1.01 0.31 -1.34 121.20 120.68 2wby s ILE 78 Ca 0.17 -1.19 -0.18 0.00 0.00 0.00 0.00 60.65 59.45 2wby s ILE 78 Cb -0.12 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.59 2wby s ILE 78 CO 0.06 -0.10 0.48 -0.55 0.00 0.00 0.00 174.94 174.84 2wby s SER 79 N 1.41 6.26 -0.44 3.58 0.15 0.16 -1.48 113.70 123.34 2wby s SER 79 Ca -0.06 -0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.36 2wby s SER 79 Cb -0.19 -2.25 0.12 0.00 -1.71 0.00 0.00 66.02 62.00 2wby s SER 79 CO -0.06 -0.52 0.21 -0.62 1.20 0.00 0.00 173.24 173.44 2wby s ASP 80 N 1.80 4.10 0.10 5.45 -1.08 0.51 -1.49 116.67 126.05 2wby s ASP 80 Ca 0.16 -2.62 0.10 0.00 -0.52 0.00 0.00 52.55 49.68 2wby s ASP 80 Cb -0.16 -1.34 0.49 0.00 -1.46 0.00 0.00 42.92 40.46 2wby s ASP 80 CO 0.14 -0.28 1.32 -2.65 0.52 0.00 0.00 175.17 174.22 2wby n PRO 81 N 3.59 0.05 0.00 4.34 -0.02 -1.26 -1.85 135.00 139.85 2wby n PRO 81 Ca 0.06 0.46 0.11 0.00 -2.02 0.00 0.00 63.50 62.11 2wby n PRO 81 Cb 0.35 -1.64 0.12 0.00 -0.02 0.00 0.00 33.50 32.32 2wby n PRO 81 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2wby n THR 82 N -1.74 0.00 -2.02 3.45 -2.24 -1.26 -4.91 114.28 105.56 2wby n THR 82 Ca 0.01 -0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 2wby n THR 82 Cb 0.07 0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 68.83 2wby n THR 82 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wby s THR 83 N -2.95 2.57 0.07 4.28 -1.32 -0.77 -4.94 115.64 112.58 2wby s THR 83 Ca 0.11 0.54 0.05 0.00 -1.21 0.00 0.00 61.69 61.18 2wby s THR 83 Cb 0.17 -3.34 -0.23 0.00 -1.51 0.00 0.00 72.50 67.58 2wby s THR 83 CO 0.74 0.11 1.10 0.44 -2.21 0.00 0.00 174.62 174.81 2wby h ASP 84 N 3.88 0.12 -3.71 8.08 3.32 -1.94 -3.45 116.42 122.72 2wby h ASP 84 Ca -0.48 -0.15 -0.69 0.00 0.02 0.00 0.00 57.03 55.74 2wby h ASP 84 Cb 1.23 -0.04 -0.32 0.00 0.22 0.00 0.00 39.33 40.42 2wby h ASP 84 CO 0.69 1.12 -0.88 -0.54 -1.72 0.00 0.00 179.24 177.91 2wby s LYS 85 N -2.67 2.78 0.67 3.56 1.02 -1.26 -1.48 119.74 122.36 2wby s LYS 85 Ca -0.02 -0.89 0.01 0.00 0.02 0.00 0.00 55.97 55.09 2wby s LYS 85 Cb 0.09 -2.23 0.10 0.00 -0.52 0.00 0.00 37.83 35.27 2wby s LYS 85 CO 0.84 0.29 0.92 -1.12 -0.92 0.00 0.00 175.35 175.36 2wby s SER 86 N 0.06 4.62 -0.21 2.83 0.01 0.84 -4.78 113.70 117.07 2wby s SER 86 Ca -0.10 -0.38 -0.28 0.00 1.31 0.00 0.00 55.95 56.50 2wby s SER 86 Cb -0.16 -0.11 0.12 0.00 0.21 0.00 0.00 66.02 66.08 2wby s SER 86 CO 0.06 -1.66 0.98 -0.55 0.41 0.00 0.00 173.24 172.48 2wby s SER 87 N -4.67 -0.43 0.07 2.44 0.15 -0.56 -1.27 113.70 109.43 2wby s SER 87 Ca 0.64 0.65 0.01 0.00 0.70 0.00 0.00 55.95 57.95 2wby s SER 87 Cb -0.06 0.60 -0.04 0.00 -1.71 0.00 0.00 66.02 64.81 2wby s SER 87 CO 0.42 -0.28 -0.05 0.00 1.20 0.00 0.00 173.24 174.53 2wby s ALA 88 N -0.50 0.71 0.01 5.45 0.00 -0.99 -0.13 121.76 126.31 2wby s ALA 88 Ca -0.00 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.81 2wby s ALA 88 Cb -0.02 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 2wby s ALA 88 CO -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 175.76 175.50 2wby s ALA 89 N -3.14 0.12 -0.07 0.00 0.00 -0.11 -1.82 121.76 116.74 2wby s ALA 89 Ca 0.04 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.67 2wby s ALA 89 Cb 0.02 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.22 2wby s ALA 89 CO -0.05 -0.07 -0.14 -1.17 0.00 0.00 0.00 175.76 174.33 2wby s LEU 90 N -0.83 1.71 -0.19 0.00 0.20 0.11 -0.88 118.68 118.80 2wby s LEU 90 Ca -0.08 -0.34 -0.02 0.00 0.69 0.00 0.00 54.13 54.38 2wby s LEU 90 Cb -0.06 -0.92 -0.00 0.00 -0.43 0.00 0.00 46.19 44.78 2wby s LEU 90 CO -0.00 0.05 -0.10 -0.62 -0.29 0.00 0.00 176.35 175.39 2wby s ASP 91 N 0.64 3.99 -0.19 3.68 2.15 -0.25 -0.91 116.67 125.78 2wby s ASP 91 Ca -0.15 -0.42 -0.12 0.00 0.43 0.00 0.00 52.55 52.29 2wby s ASP 91 Cb -0.16 -1.65 -0.05 0.00 -0.30 0.00 0.00 42.92 40.76 2wby s ASP 91 CO 0.04 0.04 0.21 -0.69 -0.17 0.00 0.00 175.17 174.59 2wby s VAL 92 N 1.12 5.36 -0.13 1.11 1.01 -0.08 -1.18 120.40 127.60 2wby s VAL 92 Ca 0.01 0.35 -0.04 0.00 0.00 0.00 0.00 61.98 62.30 2wby s VAL 92 Cb -0.14 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.61 2wby s VAL 92 CO -0.03 0.41 2.90 1.57 0.00 0.00 0.00 175.10 179.95 2wby n HIS 93 N 3.63 0.51 -4.23 5.22 -0.00 0.67 -1.31 115.22 119.70 2wby n HIS 93 Ca -0.14 -1.53 -0.18 0.00 0.46 0.00 0.00 57.72 56.33 2wby n HIS 93 Cb 0.52 -1.23 -0.13 0.00 -0.12 0.00 0.00 29.99 29.03 2wby n HIS 93 CO 0.00 0.00 0.00 -1.50 0.46 0.00 0.00 176.34 175.30 2wby s ILE 94 N -0.28 0.96 0.00 3.57 1.10 -0.94 -4.72 121.20 120.88 2wby s ILE 94 Ca 0.46 -1.06 0.00 0.00 -0.51 0.00 0.00 60.65 59.54 2wby s ILE 94 Cb 0.25 -0.91 0.00 0.00 0.15 0.00 0.00 42.46 41.95 2wby s ILE 94 CO -0.05 -0.13 0.00 0.61 -2.11 0.00 0.00 174.94 173.26 2wby n GLY 95 N 1.70 3.39 0.15 1.50 0.00 -1.21 -1.52 105.19 109.19 2wby n GLY 95 Ca -0.20 -0.60 0.13 0.00 0.00 0.00 0.00 46.02 45.36 2wby n GLY 95 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wby h SER 96 N 0.00 0.00 0.27 1.61 4.64 -0.87 -1.05 113.55 118.15 2wby h SER 96 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wby h SER 96 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2wby h SER 96 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 2wby n LEU 97 N -2.47 0.41 -0.89 5.97 4.32 -0.80 -0.49 117.00 123.04 2wby n LEU 97 Ca 0.03 0.65 0.09 0.00 -0.02 0.00 0.00 56.01 56.76 2wby n LEU 97 Cb 0.35 -0.65 0.17 0.00 -1.62 0.00 0.00 43.42 41.67 2wby n LEU 97 CO 0.26 -0.66 0.63 -1.20 -1.22 0.00 0.00 177.39 175.20 2wby n SER 98 N -2.00 3.06 -4.63 -1.43 7.64 -0.40 -4.88 113.62 110.98 2wby n SER 98 Ca 0.00 -1.89 -0.41 0.00 1.01 0.00 0.00 58.87 57.58 2wby n SER 98 Cb 0.10 -0.21 0.01 0.00 -1.01 0.00 0.00 64.21 63.10 2wby n SER 98 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2wby n ASP 99 N 1.07 1.47 -4.73 6.43 10.43 0.35 -4.92 116.55 126.66 2wby n ASP 99 Ca 0.15 1.04 -0.42 0.00 2.57 0.00 0.00 54.79 58.13 2wby n ASP 99 Cb 0.49 -1.38 -0.01 0.00 1.84 0.00 0.00 41.12 42.06 2wby n ASP 99 CO 0.00 0.00 0.00 -2.65 -1.07 0.00 0.00 177.20 173.48 2wby n PRO 100 N 0.10 2.46 -0.26 -0.24 -0.02 -1.26 -4.88 135.00 130.90 2wby n PRO 100 Ca 0.09 0.87 0.21 0.00 -2.02 0.00 0.00 63.50 62.65 2wby n PRO 100 Cb 0.39 -2.59 0.52 0.00 -0.02 0.00 0.00 33.50 31.80 2wby n PRO 100 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2wby h PRO 101 N 4.07 0.37 -0.67 0.52 0.11 -1.99 0.39 132.00 134.80 2wby h PRO 101 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2wby h PRO 101 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2wby h PRO 101 CO 0.74 0.25 0.00 0.27 -0.21 0.00 0.00 178.00 179.05 2wby n ASN 102 N -4.52 4.33 -3.22 -2.05 2.04 -1.26 -4.49 115.26 106.09 2wby n ASN 102 Ca 0.21 -2.30 -0.24 0.00 -0.44 0.00 0.00 54.58 51.80 2wby n ASN 102 Cb 0.76 -0.54 -0.07 0.00 -2.53 0.00 0.00 39.78 37.40 2wby n ASN 102 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 2wby n ILE 103 N 1.21 -0.74 -1.75 1.53 5.41 0.13 -4.87 119.36 120.27 2wby n ILE 103 Ca 0.24 -3.94 -0.42 0.00 1.00 0.00 0.00 62.75 59.63 2wby n ILE 103 Cb 0.78 -1.92 -0.03 0.00 -0.71 0.00 0.00 39.64 37.76 2wby n ILE 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wby s ALA 104 N -1.02 3.89 0.00 -1.39 0.00 -1.25 -2.32 121.76 119.67 2wby s ALA 104 Ca 0.35 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.88 2wby s ALA 104 Cb 0.15 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2wby s ALA 104 CO -0.12 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.13 2wby n GLY 105 N 3.62 0.53 0.09 0.00 0.00 -1.23 -4.27 105.19 103.93 2wby n GLY 105 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 2wby n GLY 105 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wby h LEU 106 N 0.00 0.08 -1.20 0.99 5.85 -1.76 0.25 115.31 119.52 2wby h LEU 106 Ca 0.00 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 2wby h LEU 106 Cb 0.00 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2wby h LEU 106 CO 0.00 0.07 -0.08 0.77 -0.34 0.00 0.00 178.44 178.85 2wby h SER 107 N 0.14 0.43 -0.06 1.25 4.64 -1.89 -0.08 113.55 117.98 2wby h SER 107 Ca 0.06 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2wby h SER 107 Cb 0.03 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2wby h SER 107 CO -0.06 0.56 0.03 -0.74 -0.87 0.00 0.00 176.83 175.76 2wby h HIS 108 N 0.43 0.07 -0.25 4.77 -0.00 -1.66 -2.37 115.15 116.15 2wby h HIS 108 Ca 0.09 -0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.50 2wby h HIS 108 Cb 0.41 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.76 2wby h HIS 108 CO 0.01 0.11 -0.00 0.35 -0.00 0.00 0.00 177.93 178.40 2wby h PHE 109 N 0.02 -0.02 -0.63 5.26 3.57 -0.34 -1.53 116.94 123.26 2wby h PHE 109 Ca 0.02 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.66 2wby h PHE 109 Cb 0.06 0.05 -0.09 0.00 2.79 0.00 0.00 35.95 38.76 2wby h PHE 109 CO -0.05 -0.04 0.17 1.25 -2.23 0.00 0.00 178.31 177.40 2wby h LEU 110 N 0.07 0.08 -0.91 0.59 6.46 -1.00 -0.33 115.31 120.27 2wby h LEU 110 Ca 0.12 0.11 0.17 0.00 -0.12 0.00 0.00 57.88 58.15 2wby h LEU 110 Cb 0.15 0.13 -0.10 0.00 -0.73 0.00 0.00 40.66 40.12 2wby h LEU 110 CO -0.20 0.04 0.50 -0.61 -0.62 0.00 0.00 178.44 177.55 2wby h GLN 111 N 0.31 0.65 -0.40 1.25 -0.00 -0.75 0.89 115.11 117.06 2wby h GLN 111 Ca 0.34 -0.04 -0.14 0.00 -0.00 0.00 0.00 58.65 58.81 2wby h GLN 111 Cb 0.50 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 27.82 2wby h GLN 111 CO -0.40 0.43 -0.30 0.45 0.00 0.00 0.00 178.83 179.01 2wby h HIS 112 N 0.67 1.08 0.00 3.99 3.86 -0.36 -3.23 115.15 121.15 2wby h HIS 112 Ca 0.51 -0.30 -0.06 0.00 -1.16 0.00 0.00 60.37 59.36 2wby h HIS 112 Cb 0.76 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 2wby h HIS 112 CO -0.06 1.11 -0.28 0.52 0.86 0.00 0.00 177.93 180.08 2wby h MET 113 N 0.73 0.00 0.00 2.45 2.86 0.12 -2.81 114.93 118.28 2wby h MET 113 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2wby h MET 113 Cb 0.89 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.55 2wby h MET 113 CO 0.08 0.28 0.00 -0.07 1.06 0.00 0.00 176.91 178.26 2wby h LEU 114 N 0.00 0.00 -0.23 1.22 3.38 -0.91 -1.56 115.31 117.21 2wby h LEU 114 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wby h LEU 114 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2wby h LEU 114 CO 0.04 0.00 -0.22 0.49 0.09 0.00 0.00 178.44 178.84 2wby n PHE 115 N -2.67 0.00 -1.24 1.13 3.01 -1.06 -4.33 117.46 112.30 2wby n PHE 115 Ca -0.02 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.45 2wby n PHE 115 Cb 0.08 -0.21 0.22 0.00 -0.01 0.00 0.00 39.48 39.56 2wby n PHE 115 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2wby n LEU 116 N -1.05 4.11 0.00 4.37 4.77 -0.59 -4.77 117.00 123.85 2wby n LEU 116 Ca 0.11 -3.43 0.00 0.00 -0.03 0.00 0.00 56.01 52.66 2wby n LEU 116 Cb 0.32 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2wby n LEU 116 CO 0.27 0.98 0.00 0.61 -1.33 0.00 0.00 177.39 177.92 2wby n GLY 117 N -0.87 3.71 2.54 -0.72 0.00 -1.26 -4.55 105.19 104.05 2wby n GLY 117 Ca 0.29 -1.64 -0.18 0.00 0.00 0.00 0.00 46.02 44.49 2wby n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wby n THR 118 N -1.26 0.00 0.03 2.61 -2.24 0.14 -0.69 114.28 112.87 2wby n THR 118 Ca 0.00 -1.86 -0.13 0.00 -2.27 0.00 0.00 64.05 59.79 2wby n THR 118 Cb 0.00 0.79 -0.08 0.00 -2.10 0.00 0.00 70.33 68.93 2wby n THR 118 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2wby h LYS 119 N 0.00 -0.05 -0.22 -0.78 1.63 -1.44 -1.87 116.57 113.84 2wby h LYS 119 Ca -0.22 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.48 2wby h LYS 119 Cb 0.93 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.56 2wby h LYS 119 CO 0.33 0.20 -0.33 -0.22 -3.45 0.00 0.00 179.45 175.98 2wby h LYS 120 N -0.30 0.46 -2.80 1.90 3.64 -1.97 -3.34 116.57 114.16 2wby h LYS 120 Ca -0.01 -0.20 -0.61 0.00 -1.27 0.00 0.00 60.65 58.56 2wby h LYS 120 Cb 0.28 -0.01 -0.40 0.00 -0.41 0.00 0.00 32.23 31.68 2wby h LYS 120 CO 0.01 0.74 -0.73 0.66 -2.27 0.00 0.00 179.45 177.86 2wby n TYR 121 N -4.07 1.69 0.22 1.91 4.02 -1.16 -4.95 117.16 114.82 2wby n TYR 121 Ca -0.01 -3.94 0.10 0.00 -0.01 0.00 0.00 57.90 54.04 2wby n TYR 121 Cb 0.46 -0.29 0.48 0.00 -0.02 0.00 0.00 39.34 39.96 2wby n TYR 121 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2wby h PRO 122 N 5.45 0.00 -6.32 -0.72 0.13 -1.47 0.42 132.00 129.49 2wby h PRO 122 Ca 0.19 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.74 2wby h PRO 122 Cb 0.81 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.96 2wby h PRO 122 CO 0.59 0.22 1.12 1.17 -0.23 0.00 0.00 178.00 180.87 2wby n LYS 123 N -3.42 2.39 0.12 0.86 4.81 -1.26 -4.62 118.16 117.04 2wby n LYS 123 Ca -0.00 0.87 0.17 0.00 -0.87 0.00 0.00 58.31 58.49 2wby n LYS 123 Cb 0.42 -2.75 0.74 0.00 0.02 0.00 0.00 35.03 33.46 2wby n LYS 123 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2wby h GLU 124 N 9.34 0.00 0.00 1.64 4.81 -1.87 -0.99 114.58 127.52 2wby h GLU 124 Ca -0.49 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2wby h GLU 124 Cb 1.26 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 2wby h GLU 124 CO 0.94 0.00 -0.31 0.27 -0.73 0.00 0.00 179.01 179.18 2wby n ASN 125 N -4.12 1.92 -0.29 1.04 2.04 -1.26 -4.10 115.26 110.49 2wby n ASN 125 Ca 0.05 -3.50 -0.02 0.00 -0.44 0.00 0.00 54.58 50.67 2wby n ASN 125 Cb 0.43 -0.48 0.16 0.00 -2.53 0.00 0.00 39.78 37.35 2wby n ASN 125 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 2wby h GLU 126 N 0.58 1.16 0.40 -3.83 4.57 -1.51 0.63 114.58 116.57 2wby h GLU 126 Ca -0.01 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.05 2wby h GLU 126 Cb 1.03 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 2wby h GLU 126 CO 0.00 0.81 -0.19 -0.92 -1.18 0.00 0.00 179.01 177.53 2wby h TYR 127 N 1.18 -0.49 0.00 0.92 5.03 -1.85 -0.49 116.97 121.27 2wby h TYR 127 Ca 0.31 -0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.53 2wby h TYR 127 Cb -0.06 0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.38 2wby h TYR 127 CO 0.00 -0.17 -0.35 0.66 -1.32 0.00 0.00 178.16 176.98 2wby h SER 128 N -0.85 0.00 -0.38 -2.11 4.64 -1.82 -2.15 113.55 110.87 2wby h SER 128 Ca -0.05 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.17 2wby h SER 128 Cb 0.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 2wby h SER 128 CO 0.09 0.35 -0.13 -0.61 -0.87 0.00 0.00 176.83 175.66 2wby h GLN 129 N 0.00 0.76 -0.05 4.77 4.15 -0.88 -1.19 115.11 122.68 2wby h GLN 129 Ca -0.00 -0.31 0.04 0.00 0.77 0.00 0.00 58.65 59.14 2wby h GLN 129 Cb 1.10 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.71 2wby h GLN 129 CO 0.05 0.92 -0.23 0.35 -1.93 0.00 0.00 178.83 177.98 2wby h PHE 130 N 0.56 -0.62 -0.86 3.99 3.57 -0.91 -0.39 116.94 122.29 2wby h PHE 130 Ca 0.09 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 2wby h PHE 130 Cb 0.66 0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.65 2wby h PHE 130 CO 0.05 -0.32 0.50 -0.07 -2.23 0.00 0.00 178.31 176.24 2wby h LEU 131 N -0.34 1.04 -0.28 0.59 3.38 -1.28 -2.38 115.31 116.05 2wby h LEU 131 Ca 0.08 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2wby h LEU 131 Cb 0.44 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2wby h LEU 131 CO -0.24 0.81 0.01 -1.28 0.09 0.00 0.00 178.44 177.83 2wby h SER 132 N 1.19 -0.08 0.06 -0.43 0.87 -0.81 1.14 113.55 115.49 2wby h SER 132 Ca 0.30 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 2wby h SER 132 Cb -0.02 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2wby h SER 132 CO -0.05 -0.01 0.00 -0.62 -0.53 0.00 0.00 176.83 175.62 2wby n GLU 133 N -5.14 0.63 -0.85 2.24 1.02 -0.19 -2.94 120.64 115.41 2wby n GLU 133 Ca -0.00 0.01 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 2wby n GLU 133 Cb 0.14 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.11 2wby n GLU 133 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2wby n HIS 134 N -1.05 0.00 -2.22 -0.32 8.25 -0.81 -4.59 115.22 114.48 2wby n HIS 134 Ca 0.15 -0.51 -0.17 0.00 -0.26 0.00 0.00 57.72 56.94 2wby n HIS 134 Cb 0.09 -0.13 -0.02 0.00 1.12 0.00 0.00 29.99 31.06 2wby n HIS 134 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wby n ALA 135 N -0.12 -0.47 -2.32 -1.41 0.00 -0.57 -0.64 120.51 114.98 2wby n ALA 135 Ca 0.07 0.16 -0.24 0.00 0.00 0.00 0.00 53.44 53.42 2wby n ALA 135 Cb 0.87 -1.87 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 2wby n ALA 135 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wby s GLY 136 N -2.31 2.25 0.10 0.00 0.00 0.38 -4.23 107.32 103.52 2wby s GLY 136 Ca 0.00 -1.53 -0.14 0.00 0.00 0.00 0.00 44.72 43.05 2wby s GLY 136 CO 0.00 -1.86 0.33 -1.35 0.00 0.00 0.00 173.10 170.22 2wby s SER 137 N -4.27 -0.12 0.05 1.64 1.04 -0.92 -4.02 113.70 107.10 2wby s SER 137 Ca 0.40 -0.38 -0.08 0.00 0.48 0.00 0.00 55.95 56.38 2wby s SER 137 Cb -0.02 0.42 -0.00 0.00 0.10 0.00 0.00 66.02 66.51 2wby s SER 137 CO 0.24 -0.78 0.16 -0.55 0.98 0.00 0.00 173.24 173.29 2wby s SER 138 N -2.68 0.12 0.25 7.02 0.15 -1.26 -0.94 113.70 116.37 2wby s SER 138 Ca 0.02 -0.52 -0.20 0.00 0.70 0.00 0.00 55.95 55.95 2wby s SER 138 Cb 0.02 0.28 0.07 0.00 -1.71 0.00 0.00 66.02 64.68 2wby s SER 138 CO -0.10 -0.59 0.95 0.21 1.20 0.00 0.00 173.24 174.91 2wby s ASN 139 N -2.34 0.00 0.18 5.45 3.84 -0.26 -5.00 114.94 116.82 2wby s ASN 139 Ca -0.02 -0.83 -0.22 0.00 0.21 0.00 0.00 52.86 52.00 2wby s ASN 139 Cb 0.01 0.62 0.05 0.00 -0.55 0.00 0.00 41.25 41.38 2wby s ASN 139 CO -0.06 -1.23 0.61 0.00 -2.79 0.00 0.00 177.10 173.62 2wby s ALA 140 N -2.24 -1.43 0.03 1.71 0.00 -1.26 -1.33 121.76 117.25 2wby s ALA 140 Ca 0.19 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.38 2wby s ALA 140 Cb -0.03 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 2wby s ALA 140 CO 0.07 -0.82 -0.01 -0.59 0.00 0.00 0.00 175.76 174.41 2wby s PHE 141 N -3.80 0.35 -0.18 0.00 -0.71 -0.16 -4.99 117.98 108.49 2wby s PHE 141 Ca 0.04 -0.72 0.00 0.00 -1.04 0.00 0.00 56.93 55.21 2wby s PHE 141 Cb -0.02 -0.26 0.01 0.00 -1.21 0.00 0.00 43.02 41.55 2wby s PHE 141 CO -0.08 -0.29 -0.17 0.99 -1.34 0.00 0.00 175.22 174.33 2wby s THR 142 N -2.53 2.39 0.00 -4.49 2.01 -1.26 -1.28 115.64 110.47 2wby s THR 142 Ca -0.06 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.10 2wby s THR 142 Cb -0.02 -2.02 0.00 0.00 0.01 0.00 0.00 72.50 70.47 2wby s THR 142 CO -0.05 0.52 0.00 -1.54 -0.69 0.00 0.00 174.62 172.86 2wby n SER 143 N 4.45 1.46 0.01 3.53 3.41 -0.49 -4.95 113.62 121.04 2wby n SER 143 Ca -0.20 -0.46 -0.07 0.00 -0.26 0.00 0.00 58.87 57.88 2wby n SER 143 Cb 0.51 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.56 2wby n SER 143 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2wby h GLY 144 N 0.00 0.55 0.00 5.00 0.00 -1.94 -0.93 103.07 105.75 2wby h GLY 144 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.75 2wby h GLY 144 CO 0.00 0.52 0.00 1.18 0.00 0.00 0.00 176.54 178.24 2wby n GLU 145 N -4.00 2.35 -3.83 4.80 1.02 -1.26 -1.90 120.64 117.83 2wby n GLU 145 Ca -0.02 -1.33 -0.12 0.00 -0.02 0.00 0.00 57.16 55.67 2wby n GLU 145 Cb 0.54 -0.99 -0.12 0.00 -0.02 0.00 0.00 31.44 30.85 2wby n GLU 145 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2wby s HIS 146 N -0.83 -0.13 -0.14 -0.32 3.76 -1.16 -2.22 115.29 114.25 2wby s HIS 146 Ca 0.00 0.30 0.01 0.00 -0.15 0.00 0.00 55.06 55.22 2wby s HIS 146 Cb 0.00 0.03 0.02 0.00 1.11 0.00 0.00 32.58 33.75 2wby s HIS 146 CO 0.00 -0.13 -0.14 0.99 -0.85 0.00 0.00 174.74 174.61 2wby s THR 147 N -0.24 1.53 -0.16 1.30 2.01 -0.43 -1.40 115.64 118.25 2wby s THR 147 Ca -0.03 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.36 2wby s THR 147 Cb -0.03 -1.43 0.02 0.00 0.01 0.00 0.00 72.50 71.07 2wby s THR 147 CO 0.00 0.45 -0.21 0.21 -0.69 0.00 0.00 174.62 174.39 2wby s ASN 148 N 1.38 3.14 0.02 3.53 3.84 -0.41 -0.90 114.94 125.54 2wby s ASN 148 Ca 0.02 -0.63 0.08 0.00 0.21 0.00 0.00 52.86 52.54 2wby s ASN 148 Cb -0.13 -1.47 -0.03 0.00 -0.55 0.00 0.00 41.25 39.07 2wby s ASN 148 CO -0.08 0.03 -0.23 -0.31 -2.79 0.00 0.00 177.10 173.72 2wby s TYR 149 N 1.09 2.42 -0.06 0.43 1.51 -0.09 -0.99 117.35 121.66 2wby s TYR 149 Ca 0.00 -0.36 -0.27 0.00 -1.01 0.00 0.00 57.07 55.44 2wby s TYR 149 Cb -0.14 -1.46 0.06 0.00 -0.11 0.00 0.00 41.96 40.31 2wby s TYR 149 CO -0.08 0.12 0.60 1.52 -1.11 0.00 0.00 175.55 176.59 2wby s TYR 150 N -0.77 -0.56 0.09 2.71 -0.85 -0.44 -0.71 117.35 116.82 2wby s TYR 150 Ca 0.12 1.02 -0.12 0.00 -0.52 0.00 0.00 57.07 57.56 2wby s TYR 150 Cb -0.10 0.32 0.01 0.00 0.38 0.00 0.00 41.96 42.58 2wby s TYR 150 CO 0.02 -0.53 0.28 -0.59 -1.52 0.00 0.00 175.55 173.20 2wby s PHE 151 N -1.04 -0.01 0.34 -3.49 -0.12 -0.75 -1.10 117.98 111.81 2wby s PHE 151 Ca -0.10 -0.33 0.05 0.00 -0.05 0.00 0.00 56.93 56.50 2wby s PHE 151 Cb -0.02 0.07 -0.07 0.00 -0.63 0.00 0.00 43.02 42.38 2wby s PHE 151 CO 0.08 -0.59 0.03 0.16 -0.05 0.00 0.00 175.22 174.85 2wby s ASP 152 N -2.70 2.83 -0.02 1.98 3.84 -0.11 -2.35 116.67 120.14 2wby s ASP 152 Ca 0.02 -1.35 -0.29 0.00 -0.00 0.00 0.00 52.55 50.94 2wby s ASP 152 Cb 0.03 -0.18 0.09 0.00 -1.38 0.00 0.00 42.92 41.48 2wby s ASP 152 CO -0.10 -0.52 0.77 0.54 -0.00 0.00 0.00 175.17 175.85 2wby s VAL 153 N -3.10 0.00 0.02 2.11 0.11 -0.39 -2.16 120.40 116.99 2wby s VAL 153 Ca 0.35 0.00 -0.34 0.00 -2.93 0.00 0.00 61.98 59.06 2wby s VAL 153 Cb 0.08 -1.00 -0.17 0.00 -1.53 0.00 0.00 36.38 33.76 2wby s VAL 153 CO 0.16 0.00 0.89 -0.24 -3.33 0.00 0.00 175.10 172.58 2wby n SER 154 N 0.43 -0.12 0.05 3.54 2.88 0.19 -0.11 113.62 120.48 2wby n SER 154 Ca -0.15 1.02 0.04 0.00 -1.33 0.00 0.00 58.87 58.45 2wby n SER 154 Cb 0.60 -0.81 0.20 0.00 -0.75 0.00 0.00 64.21 63.45 2wby n SER 154 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wby n HIS 155 N 1.19 0.25 1.49 0.66 1.44 -0.55 -1.32 115.22 118.38 2wby n HIS 155 Ca 0.17 0.13 0.13 0.00 -2.01 0.00 0.00 57.72 56.14 2wby n HIS 155 Cb 0.09 -0.70 0.53 0.00 0.12 0.00 0.00 29.99 30.02 2wby n HIS 155 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2wby n GLU 156 N -1.75 1.59 -0.41 -1.40 1.02 -1.26 -4.07 120.64 114.35 2wby n GLU 156 Ca -0.00 -0.87 0.06 0.00 -0.02 0.00 0.00 57.16 56.33 2wby n GLU 156 Cb 0.02 -1.45 0.10 0.00 -0.02 0.00 0.00 31.44 30.09 2wby n GLU 156 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2wby n HIS 157 N 0.06 0.00 -0.22 -0.32 8.25 -0.43 -4.79 115.22 117.77 2wby n HIS 157 Ca 0.18 -0.74 -0.06 0.00 -0.26 0.00 0.00 57.72 56.85 2wby n HIS 157 Cb 0.31 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.28 2wby n HIS 157 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2wby h LEU 158 N 0.25 -1.32 -0.70 2.41 6.46 -1.71 -2.41 115.31 118.29 2wby h LEU 158 Ca -0.02 0.24 0.02 0.00 -0.12 0.00 0.00 57.88 58.00 2wby h LEU 158 Cb 1.20 0.63 -0.04 0.00 -0.73 0.00 0.00 40.66 41.72 2wby h LEU 158 CO 0.01 -0.32 0.44 -0.08 -0.62 0.00 0.00 178.44 177.88 2wby h GLU 159 N -0.18 0.85 -0.58 1.25 4.81 -1.93 -0.52 114.58 118.29 2wby h GLU 159 Ca 0.22 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 2wby h GLU 159 Cb 0.56 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 2wby h GLU 159 CO -0.70 0.56 -0.04 0.78 -0.73 0.00 0.00 179.01 178.88 2wby h GLY 160 N 0.87 1.13 1.05 1.92 0.00 -1.88 -0.96 103.07 105.21 2wby h GLY 160 Ca 0.27 -0.86 -0.11 0.00 0.00 0.00 0.00 47.33 46.63 2wby h GLY 160 CO -0.09 0.79 -0.15 0.00 0.00 0.00 0.00 176.54 177.09 2wby h ALA 161 N 0.96 0.64 0.02 3.60 0.00 -1.15 -2.06 119.26 121.27 2wby h ALA 161 Ca 0.16 -0.36 -0.21 0.00 0.00 0.00 0.00 54.91 54.50 2wby h ALA 161 Cb 0.60 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2wby h ALA 161 CO 0.04 0.57 -0.94 1.25 0.00 0.00 0.00 179.25 180.17 2wby h LEU 162 N 0.76 0.31 -0.12 0.00 5.85 -0.85 0.86 115.31 122.12 2wby h LEU 162 Ca 0.11 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 2wby h LEU 162 Cb 0.71 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 2wby h LEU 162 CO 0.05 1.09 -0.05 -0.78 -0.34 0.00 0.00 178.44 178.41 2wby h ASP 163 N 0.12 0.25 -0.66 1.25 -0.00 -1.19 0.55 116.42 116.74 2wby h ASP 163 Ca -0.06 -0.40 0.10 0.00 -0.00 0.00 0.00 57.03 56.67 2wby h ASP 163 Cb 1.59 -0.07 -0.08 0.00 -0.00 0.00 0.00 39.33 40.77 2wby h ASP 163 CO 0.15 0.59 0.28 0.03 -0.00 0.00 0.00 179.24 180.28 2wby h ARG 164 N -0.10 0.46 0.21 0.28 3.08 -1.00 -2.64 114.38 114.66 2wby h ARG 164 Ca 0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2wby h ARG 164 Cb 0.49 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 2wby h ARG 164 CO 0.02 0.30 -0.12 0.35 -1.07 0.00 0.00 179.97 179.45 2wby h PHE 165 N 0.47 -0.31 -0.60 3.04 3.04 -0.62 -3.20 116.94 118.77 2wby h PHE 165 Ca 0.34 -0.00 0.13 0.00 3.98 0.00 0.00 57.97 62.41 2wby h PHE 165 Cb 0.41 0.11 -0.03 0.00 2.56 0.00 0.00 35.95 39.00 2wby h PHE 165 CO -0.15 -0.19 0.41 0.00 -2.02 0.00 0.00 178.31 176.36 2wby h ALA 166 N 0.48 2.24 -0.17 2.41 0.00 0.47 -1.28 119.26 123.41 2wby h ALA 166 Ca -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2wby h ALA 166 Cb 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2wby h ALA 166 CO 0.03 -0.40 0.11 1.96 0.00 0.00 0.00 179.25 180.95 2wby h GLN 167 N 0.23 0.16 -1.06 0.00 1.08 -1.51 -1.35 115.11 112.65 2wby h GLN 167 Ca 0.28 -0.01 0.31 0.00 -1.45 0.00 0.00 58.65 57.78 2wby h GLN 167 Cb 0.81 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 28.16 2wby h GLN 167 CO -0.06 0.11 0.90 0.74 -0.95 0.00 0.00 178.83 179.57 2wby h PHE 168 N 0.17 0.00 -0.03 2.96 -1.00 -1.37 0.18 116.94 117.85 2wby h PHE 168 Ca 0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.85 2wby h PHE 168 Cb 0.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.62 2wby h PHE 168 CO -0.00 0.00 0.00 1.19 -1.61 0.00 0.00 178.31 177.89 2wby n PHE 169 N -3.85 0.02 -0.03 -0.55 3.72 -0.52 -4.37 117.46 111.88 2wby n PHE 169 Ca 0.23 -0.03 -0.08 0.00 -0.05 0.00 0.00 57.45 57.52 2wby n PHE 169 Cb 1.25 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.76 2wby n PHE 169 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2wby n LEU 170 N 0.51 1.28 -2.98 4.37 4.77 -0.08 -4.81 117.00 120.05 2wby n LEU 170 Ca 0.06 0.20 -0.16 0.00 -0.03 0.00 0.00 56.01 56.08 2wby n LEU 170 Cb 0.24 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 2wby n LEU 170 CO 0.06 -0.23 -0.06 -1.54 -1.33 0.00 0.00 177.39 174.29 2wby n SER 171 N -3.81 -1.23 -4.74 -1.43 3.41 -0.42 -5.08 113.62 100.31 2wby n SER 171 Ca -0.14 -3.00 -0.38 0.00 -0.26 0.00 0.00 58.87 55.09 2wby n SER 171 Cb 0.41 0.52 0.05 0.00 -0.26 0.00 0.00 64.21 64.93 2wby n SER 171 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2wby s PRO 172 N -0.35 2.90 0.12 4.33 0.04 -1.25 -1.13 135.00 139.66 2wby s PRO 172 Ca 0.33 2.16 -0.09 0.00 0.04 0.00 0.00 61.00 63.45 2wby s PRO 172 Cb 0.21 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.56 2wby s PRO 172 CO -0.17 -1.35 1.33 -0.07 0.04 0.00 0.00 177.00 176.77 2wby h LEU 173 N 1.08 0.77 -1.80 -3.56 3.38 -1.20 -3.45 115.31 110.53 2wby h LEU 173 Ca -0.51 -0.53 -0.56 0.00 0.09 0.00 0.00 57.88 56.37 2wby h LEU 173 Cb 1.32 -0.23 -0.16 0.00 0.09 0.00 0.00 40.66 41.67 2wby h LEU 173 CO 0.56 1.31 -0.91 0.49 0.09 0.00 0.00 178.44 179.98 2wby n PHE 174 N -3.88 -1.48 -1.58 1.13 3.01 -1.26 -4.86 117.46 108.54 2wby n PHE 174 Ca -0.07 0.70 -0.46 0.00 1.01 0.00 0.00 57.45 58.63 2wby n PHE 174 Cb 0.76 -3.12 -0.02 0.00 -0.01 0.00 0.00 39.48 37.09 2wby n PHE 174 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2wby n ASP 175 N -2.86 1.25 -0.25 4.37 2.03 -1.26 -4.80 116.55 115.02 2wby n ASP 175 Ca -0.23 1.16 -0.04 0.00 0.52 0.00 0.00 54.79 56.21 2wby n ASP 175 Cb 0.64 -1.25 0.07 0.00 -0.72 0.00 0.00 41.12 39.86 2wby n ASP 175 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2wby h GLU 176 N 2.47 0.85 0.00 -0.67 4.57 -1.99 -0.32 114.58 119.48 2wby h GLU 176 Ca -0.40 -0.05 -0.21 0.00 -1.18 0.00 0.00 59.36 57.52 2wby h GLU 176 Cb 1.34 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.71 2wby h GLU 176 CO 0.64 0.56 -1.24 0.66 -1.18 0.00 0.00 179.01 178.46 2wby h SER 177 N 0.88 0.00 -0.51 1.04 4.64 -1.99 -1.48 113.55 116.12 2wby h SER 177 Ca 0.28 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.55 2wby h SER 177 Cb -0.01 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2wby h SER 177 CO -0.10 0.81 0.16 0.00 -0.87 0.00 0.00 176.83 176.83 2wby h ALA 178 N 1.19 1.23 -0.17 5.18 0.00 -1.86 -2.26 119.26 122.57 2wby h ALA 178 Ca -0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2wby h ALA 178 Cb 1.73 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2wby h ALA 178 CO 0.08 0.54 -0.02 -0.22 0.00 0.00 0.00 179.25 179.63 2wby h LYS 179 N 0.82 0.32 -0.02 0.00 3.64 -0.85 0.03 116.57 120.51 2wby h LYS 179 Ca 0.19 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2wby h LYS 179 Cb 0.26 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2wby h LYS 179 CO -0.01 0.56 0.02 -0.44 -2.27 0.00 0.00 179.45 177.31 2wby h ASP 180 N 0.05 0.00 0.00 4.20 3.32 -1.09 -2.63 116.42 120.26 2wby h ASP 180 Ca 0.05 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 2wby h ASP 180 Cb 0.43 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2wby h ASP 180 CO 0.01 0.00 -0.27 0.03 -1.72 0.00 0.00 179.24 177.29 2wby h ARG 181 N 0.00 0.00 0.00 3.56 3.08 -1.14 -3.40 114.38 116.49 2wby h ARG 181 Ca 0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2wby h ARG 181 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 2wby h ARG 181 CO -0.00 0.64 -0.09 1.49 -1.07 0.00 0.00 179.97 180.94 2wby h GLU 182 N -1.00 0.00 -0.64 0.04 4.57 -0.88 -0.79 114.58 115.88 2wby h GLU 182 Ca -0.06 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.27 2wby h GLU 182 Cb 0.74 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.30 2wby h GLU 182 CO -0.04 0.09 0.44 -0.24 -1.18 0.00 0.00 179.01 178.09 2wby h VAL 183 N 0.00 0.77 -0.40 0.32 3.04 -1.68 0.89 116.25 119.20 2wby h VAL 183 Ca -0.00 -0.08 -0.05 0.00 -1.01 0.00 0.00 66.70 65.56 2wby h VAL 183 Cb 0.48 0.53 -0.02 0.00 -2.01 0.00 0.00 31.29 30.27 2wby h VAL 183 CO 0.01 0.04 0.02 0.78 -1.01 0.00 0.00 177.57 177.41 2wby h ASN 184 N 0.22 0.59 -0.30 3.17 4.21 -1.37 -1.06 115.58 121.04 2wby h ASN 184 Ca 0.31 -0.12 -0.13 0.00 1.21 0.00 0.00 56.30 57.58 2wby h ASN 184 Cb 0.90 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.94 2wby h ASN 184 CO -0.06 0.65 -0.27 0.00 -1.29 0.00 0.00 177.43 176.46 2wby h ALA 185 N 1.43 0.80 -0.30 -0.83 0.00 -0.97 0.12 119.26 119.51 2wby h ALA 185 Ca 0.13 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 2wby h ALA 185 Cb 0.35 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2wby h ALA 185 CO 0.01 0.65 -0.29 0.28 0.00 0.00 0.00 179.25 179.90 2wby h VAL 186 N 0.69 1.30 -0.63 0.00 2.07 -1.14 -0.35 116.25 118.18 2wby h VAL 186 Ca 0.08 -1.45 0.02 0.00 0.82 0.00 0.00 66.70 66.17 2wby h VAL 186 Cb 0.80 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 2wby h VAL 186 CO 0.07 0.47 0.40 -0.78 0.02 0.00 0.00 177.57 177.75 2wby h ASP 187 N 0.49 0.68 -0.50 0.57 3.58 -0.79 0.66 116.42 121.10 2wby h ASP 187 Ca 0.05 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.40 2wby h ASP 187 Cb 0.86 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.73 2wby h ASP 187 CO 0.07 0.48 -0.01 -1.28 -2.88 0.00 0.00 179.24 175.62 2wby h SER 188 N 0.81 0.91 -0.06 2.28 0.87 -0.61 0.30 113.55 118.04 2wby h SER 188 Ca 0.24 -0.25 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 2wby h SER 188 Cb -0.04 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.64 2wby h SER 188 CO -0.08 0.98 -0.18 -0.08 -0.53 0.00 0.00 176.83 176.94 2wby h GLU 189 N 0.86 -0.25 -0.63 2.24 4.81 0.19 -1.22 114.58 120.58 2wby h GLU 189 Ca 0.16 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 2wby h GLU 189 Cb 0.53 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 2wby h GLU 189 CO 0.03 -0.17 0.10 1.25 -0.73 0.00 0.00 179.01 179.49 2wby h HIS 190 N -0.26 1.08 -0.73 0.92 2.76 -0.19 -2.88 115.15 115.85 2wby h HIS 190 Ca 0.07 -0.14 -0.00 0.00 -2.20 0.00 0.00 60.37 58.10 2wby h HIS 190 Cb 0.37 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 28.99 2wby h HIS 190 CO -0.26 0.91 0.44 1.49 -1.30 0.00 0.00 177.93 179.22 2wby h GLU 191 N 0.97 1.00 0.00 5.26 4.57 0.36 0.14 114.58 126.87 2wby h GLU 191 Ca 0.19 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2wby h GLU 191 Cb 0.41 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2wby h GLU 191 CO 0.01 0.71 -0.01 1.57 -1.18 0.00 0.00 179.01 180.10 2wby h LYS 192 N 1.00 0.00 0.00 1.92 2.10 -1.03 -2.79 116.57 117.77 2wby h LYS 192 Ca 0.26 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.91 2wby h LYS 192 Cb -0.03 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.30 2wby h LYS 192 CO -0.05 0.01 -1.07 0.09 -2.00 0.00 0.00 179.45 176.44 2wby n ASN 193 N -3.15 0.81 -0.06 7.07 3.02 -0.02 -4.43 115.26 118.50 2wby n ASN 193 Ca -0.01 0.32 -0.08 0.00 -0.03 0.00 0.00 54.58 54.77 2wby n ASN 193 Cb 0.19 0.50 -0.01 0.00 -0.61 0.00 0.00 39.78 39.85 2wby n ASN 193 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2wby h VAL 194 N 0.00 0.91 -0.36 2.41 2.07 -1.12 -1.18 116.25 118.98 2wby h VAL 194 Ca -0.01 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2wby h VAL 194 Cb 1.03 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2wby h VAL 194 CO 0.00 0.03 0.00 0.23 0.02 0.00 0.00 177.57 177.86 2wby n MET 195 N -5.05 2.77 -3.16 1.57 2.81 -1.26 -4.73 117.12 110.07 2wby n MET 195 Ca -0.01 -1.68 -0.39 0.00 -1.81 0.00 0.00 57.70 53.80 2wby n MET 195 Cb 0.10 -1.72 -0.06 0.00 -0.71 0.00 0.00 33.22 30.83 2wby n MET 195 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2wby s ASN 196 N -0.63 6.76 0.30 7.83 2.47 -0.45 -4.88 114.94 126.34 2wby s ASN 196 Ca 0.30 0.91 0.00 0.00 0.42 0.00 0.00 52.86 54.49 2wby s ASN 196 Cb 0.20 -2.34 0.51 0.00 -1.45 0.00 0.00 41.25 38.17 2wby s ASN 196 CO 0.12 -0.15 1.92 0.44 -3.72 0.00 0.00 177.10 175.71 2wby h ASP 197 N 7.08 0.92 -0.19 -4.21 5.19 -1.89 -2.20 116.42 121.13 2wby h ASP 197 Ca -0.37 -0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 55.97 2wby h ASP 197 Cb 1.17 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 40.48 2wby h ASP 197 CO 0.76 0.60 -0.18 0.00 -3.12 0.00 0.00 179.24 177.30 2wby h ALA 198 N 1.50 0.27 -0.42 3.45 0.00 -1.94 -2.27 119.26 119.85 2wby h ALA 198 Ca 0.37 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2wby h ALA 198 Cb 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2wby h ALA 198 CO -0.13 0.19 0.28 -1.49 0.00 0.00 0.00 179.25 178.10 2wby h TRP 199 N 0.12 0.52 -0.61 0.00 4.06 -1.81 0.13 115.95 118.36 2wby h TRP 199 Ca 0.03 0.01 0.12 0.00 2.06 0.00 0.00 58.89 61.11 2wby h TRP 199 Cb 0.73 -0.18 -0.09 0.00 -1.00 0.00 0.00 29.16 28.62 2wby h TRP 199 CO 0.08 0.33 0.10 0.00 -3.56 0.00 0.00 178.44 175.39 2wby h ARG 200 N 0.56 0.22 -0.09 0.49 3.08 -1.33 0.52 114.38 117.84 2wby h ARG 200 Ca 0.16 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 2wby h ARG 200 Cb -0.06 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 2wby h ARG 200 CO -0.04 0.14 0.02 -0.07 -1.07 0.00 0.00 179.97 178.95 2wby h LEU 201 N 0.23 0.13 -0.47 3.04 4.07 -1.03 0.85 115.31 122.12 2wby h LEU 201 Ca 0.32 -0.25 0.09 0.00 0.08 0.00 0.00 57.88 58.13 2wby h LEU 201 Cb 0.49 -0.04 -0.10 0.00 1.08 0.00 0.00 40.66 42.10 2wby h LEU 201 CO -0.43 0.35 -0.29 0.15 -1.08 0.00 0.00 178.44 177.13 2wby h PHE 202 N -0.08 -0.78 0.00 1.13 3.04 -0.27 -1.47 116.94 118.50 2wby h PHE 202 Ca 0.03 0.06 -0.10 0.00 3.98 0.00 0.00 57.97 61.94 2wby h PHE 202 Cb 0.27 0.41 -0.01 0.00 2.56 0.00 0.00 35.95 39.17 2wby h PHE 202 CO 0.01 -0.35 -0.47 0.37 -2.02 0.00 0.00 178.31 175.85 2wby h GLN 203 N -0.18 0.00 -0.30 1.11 5.75 -0.62 -3.17 115.11 117.70 2wby h GLN 203 Ca 0.21 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.55 2wby h GLN 203 Cb 0.52 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.06 2wby h GLN 203 CO -0.58 0.47 -0.45 1.25 -2.65 0.00 0.00 178.83 176.87 2wby h LEU 204 N 0.00 0.83 -0.21 -2.39 5.85 0.01 -1.27 115.31 118.13 2wby h LEU 204 Ca -0.00 -0.40 0.05 0.00 0.84 0.00 0.00 57.88 58.37 2wby h LEU 204 Cb 0.97 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 2wby h LEU 204 CO 0.06 1.15 -0.14 -0.08 -0.34 0.00 0.00 178.44 179.10 2wby h GLU 205 N 0.61 -0.12 -1.00 1.25 4.81 -1.28 -1.34 114.58 117.51 2wby h GLU 205 Ca 0.04 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.37 2wby h GLU 205 Cb 1.01 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.35 2wby h GLU 205 CO 0.10 -0.08 0.64 0.87 -0.73 0.00 0.00 179.01 179.81 2wby h LYS 206 N -0.13 1.05 0.00 1.92 1.57 -1.52 -1.78 116.57 117.68 2wby h LYS 206 Ca 0.12 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2wby h LYS 206 Cb 0.31 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2wby h LYS 206 CO -0.29 0.70 -0.12 0.00 -0.57 0.00 0.00 179.45 179.17 2wby h ALA 207 N 1.50 1.03 -0.25 3.86 0.00 -0.62 -3.16 119.26 121.62 2wby h ALA 207 Ca 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2wby h ALA 207 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2wby h ALA 207 CO -0.22 0.15 0.00 0.25 0.00 0.00 0.00 179.25 179.43 2wby n THR 208 N -3.28 0.45 -2.06 0.00 -2.24 -0.56 -4.89 114.28 101.71 2wby n THR 208 Ca 0.00 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 2wby n THR 208 Cb 0.36 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 2wby n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wby n GLY 209 N 1.00 1.22 3.66 3.38 0.00 -1.05 -4.91 105.19 108.50 2wby n GLY 209 Ca 0.13 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 2wby n GLY 209 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wby s ASN 210 N -1.00 6.45 0.10 1.61 2.47 -0.12 -4.83 114.94 119.62 2wby s ASN 210 Ca 0.00 2.67 0.19 0.00 0.42 0.00 0.00 52.86 56.14 2wby s ASN 210 Cb 0.00 -2.53 0.80 0.00 -1.45 0.00 0.00 41.25 38.06 2wby s ASN 210 CO 0.00 -1.05 1.60 -0.81 -3.72 0.00 0.00 177.10 173.12 2wby n PRO 211 N 7.41 0.08 0.00 0.43 -0.04 -1.26 -2.16 135.00 139.46 2wby n PRO 211 Ca 0.20 0.29 0.13 0.00 -0.04 0.00 0.00 63.50 64.08 2wby n PRO 211 Cb 0.41 -1.65 0.38 0.00 -0.04 0.00 0.00 33.50 32.60 2wby n PRO 211 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wby n LYS 212 N -1.79 0.99 -3.46 0.54 5.02 -1.26 -4.87 118.16 113.33 2wby n LYS 212 Ca 0.03 -0.60 -0.38 0.00 -2.02 0.00 0.00 58.31 55.34 2wby n LYS 212 Cb 0.21 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.67 2wby n LYS 212 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2wby s HIS 213 N -2.42 3.69 0.66 2.13 2.46 -0.92 -4.96 115.29 115.93 2wby s HIS 213 Ca 0.26 0.98 0.31 0.00 0.47 0.00 0.00 55.06 57.08 2wby s HIS 213 Cb 0.19 -2.35 1.70 0.00 -0.13 0.00 0.00 32.58 32.00 2wby s HIS 213 CO 0.49 0.54 1.96 -1.35 -2.47 0.00 0.00 174.74 173.92 2wby h PRO 214 N 5.12 0.00 0.00 2.88 0.11 -1.89 0.54 132.00 138.75 2wby h PRO 214 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2wby h PRO 214 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2wby h PRO 214 CO 0.65 0.00 -0.04 0.35 -0.21 0.00 0.00 178.00 178.74 2wby h PHE 215 N 0.00 0.00 0.00 0.65 3.04 -1.92 -2.27 116.94 116.45 2wby h PHE 215 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2wby h PHE 215 Cb 0.61 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.12 2wby h PHE 215 CO 0.00 0.04 0.00 -1.13 -2.02 0.00 0.00 178.31 175.20 2wby n SER 216 N -4.47 0.07 -4.76 0.41 3.41 0.18 -4.73 113.62 103.73 2wby n SER 216 Ca -0.03 0.51 -0.35 0.00 -0.26 0.00 0.00 58.87 58.74 2wby n SER 216 Cb 0.13 -0.53 0.03 0.00 -0.26 0.00 0.00 64.21 63.58 2wby n SER 216 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2wby s LYS 217 N -3.03 2.96 -0.48 4.33 1.02 -0.86 -4.66 119.74 119.03 2wby s LYS 217 Ca 0.08 1.75 -0.24 0.00 0.02 0.00 0.00 55.97 57.58 2wby s LYS 217 Cb 0.11 -1.94 0.03 0.00 -0.52 0.00 0.00 37.83 35.52 2wby s LYS 217 CO 0.34 -1.19 0.88 0.12 -0.92 0.00 0.00 175.35 174.57 2wby s PHE 218 N -1.71 2.92 0.11 3.18 5.36 -1.26 -4.95 117.98 121.63 2wby s PHE 218 Ca 0.76 0.21 -0.10 0.00 -0.96 0.00 0.00 56.93 56.84 2wby s PHE 218 Cb -0.28 -3.89 -0.14 0.00 -0.34 0.00 0.00 43.02 38.37 2wby s PHE 218 CO 0.33 -1.12 1.29 0.78 -1.46 0.00 0.00 175.22 175.04 2wby h GLY 219 N 10.51 0.70 1.29 13.12 0.00 -1.93 -3.27 103.07 123.48 2wby h GLY 219 Ca -0.25 -1.11 -0.15 0.00 0.00 0.00 0.00 47.33 45.82 2wby h GLY 219 CO 1.02 0.98 -0.41 -0.84 0.00 0.00 0.00 176.54 177.29 2wby h THR 220 N 0.39 1.29 -1.83 4.70 2.02 -1.93 -3.34 112.91 114.21 2wby h THR 220 Ca -0.08 -1.59 0.21 0.00 0.77 0.00 0.00 66.41 65.72 2wby h THR 220 Cb 1.52 1.48 -0.07 0.00 -1.74 0.00 0.00 68.15 69.35 2wby h THR 220 CO 0.17 0.52 -0.44 0.61 0.37 0.00 0.00 175.52 176.75 2wby n GLY 221 N 0.10 -2.13 3.58 2.16 0.00 -1.26 -4.65 105.19 103.00 2wby n GLY 221 Ca -0.02 -1.29 -0.03 0.00 0.00 0.00 0.00 46.02 44.67 2wby n GLY 221 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wby n ASN 222 N -3.29 -1.66 0.04 1.61 0.23 -1.26 -4.66 115.26 106.27 2wby n ASN 222 Ca -0.01 -1.90 0.09 0.00 -0.53 0.00 0.00 54.58 52.22 2wby n ASN 222 Cb 0.37 2.71 0.53 0.00 -2.08 0.00 0.00 39.78 41.31 2wby n ASN 222 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2wby h LYS 223 N 0.00 0.31 -0.01 -3.83 1.63 -1.90 -0.39 116.57 112.37 2wby h LYS 223 Ca -0.26 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.52 2wby h LYS 223 Cb 1.12 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.68 2wby h LYS 223 CO 0.34 0.21 -0.01 -0.92 -3.45 0.00 0.00 179.45 175.62 2wby h TYR 224 N 0.32 0.04 0.00 1.91 3.20 -1.96 -0.02 116.97 120.46 2wby h TYR 224 Ca 0.16 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2wby h TYR 224 Cb 0.24 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.50 2wby h TYR 224 CO -0.00 0.52 0.00 0.25 -1.64 0.00 0.00 178.16 177.29 2wby n THR 225 N -4.83 0.63 0.10 1.81 -2.24 -0.56 -0.35 114.28 108.85 2wby n THR 225 Ca -0.08 -0.25 0.01 0.00 -2.27 0.00 0.00 64.05 61.46 2wby n THR 225 Cb 0.26 -0.64 -0.01 0.00 -2.10 0.00 0.00 70.33 67.84 2wby n THR 225 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2wby n LEU 226 N -2.29 0.16 0.13 3.22 4.32 -0.27 -4.35 117.00 117.93 2wby n LEU 226 Ca 0.05 -0.53 0.00 0.00 -0.02 0.00 0.00 56.01 55.51 2wby n LEU 226 Cb 0.41 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 2wby n LEU 226 CO 0.29 0.04 -0.00 1.21 -1.22 0.00 0.00 177.39 177.71 2wby n GLU 227 N -0.98 0.00 0.24 3.23 2.13 -0.15 -4.87 120.64 120.24 2wby n GLU 227 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 2wby n GLU 227 Cb 0.03 -0.10 -0.08 0.00 0.27 0.00 0.00 31.44 31.56 2wby n GLU 227 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2wby h THR 228 N 0.00 0.56 -0.33 6.31 2.02 -1.06 -0.86 112.91 119.55 2wby h THR 228 Ca 0.00 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 2wby h THR 228 Cb 0.00 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 2wby h THR 228 CO 0.00 0.03 0.17 -0.09 0.37 0.00 0.00 175.52 176.00 2wby h ARG 229 N -0.70 0.47 -0.77 6.66 1.12 -0.95 -1.37 114.38 118.83 2wby h ARG 229 Ca -0.06 -0.06 0.02 0.00 -1.11 0.00 0.00 59.98 58.77 2wby h ARG 229 Cb 0.51 -0.09 -0.04 0.00 -0.01 0.00 0.00 29.97 30.34 2wby h ARG 229 CO 0.10 0.41 0.50 -1.35 -3.11 0.00 0.00 179.97 176.52 2wby h PRO 230 N 0.40 0.97 -0.88 0.20 0.11 -1.74 -1.35 132.00 129.71 2wby h PRO 230 Ca 0.11 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.18 2wby h PRO 230 Cb 0.09 -0.22 -0.05 0.00 0.11 0.00 0.00 31.00 30.93 2wby h PRO 230 CO -0.02 0.64 0.58 -0.91 -0.21 0.00 0.00 178.00 178.08 2wby h ASN 231 N 1.00 0.98 -0.49 -2.05 -0.26 -0.95 -0.56 115.58 113.25 2wby h ASN 231 Ca 0.30 -0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 56.00 2wby h ASN 231 Cb -0.04 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 36.95 2wby h ASN 231 CO -0.09 0.70 0.24 -0.61 -1.06 0.00 0.00 177.43 176.61 2wby h GLN 232 N 1.16 0.74 -0.39 0.81 4.15 -0.64 -2.73 115.11 118.21 2wby h GLN 232 Ca 0.33 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.66 2wby h GLN 232 Cb -0.08 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.46 2wby h GLN 232 CO -0.09 0.59 0.00 0.39 -1.93 0.00 0.00 178.83 177.79 2wby n GLU 233 N -4.37 2.05 -2.02 1.69 1.02 -0.57 -4.94 120.64 113.50 2wby n GLU 233 Ca 0.04 -1.61 -0.07 0.00 -0.02 0.00 0.00 57.16 55.50 2wby n GLU 233 Cb 0.13 -1.39 -0.01 0.00 -0.02 0.00 0.00 31.44 30.16 2wby n GLU 233 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wby n GLY 234 N 1.25 0.18 3.80 0.62 0.00 -0.60 -5.01 105.19 105.44 2wby n GLY 234 Ca 0.16 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 2wby n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wby s ILE 235 N -2.35 5.37 -0.55 -0.61 1.01 -0.32 -5.03 121.20 118.71 2wby s ILE 235 Ca 0.00 0.16 -0.19 0.00 0.00 0.00 0.00 60.65 60.62 2wby s ILE 235 Cb 0.00 -3.38 0.08 0.00 0.01 0.00 0.00 42.46 39.18 2wby s ILE 235 CO 0.00 0.55 0.66 -0.62 0.00 0.00 0.00 174.94 175.53 2wby s ASP 236 N -0.47 6.20 0.37 3.58 -1.08 -1.26 -4.35 116.67 119.66 2wby s ASP 236 Ca 0.12 -1.21 0.09 0.00 -0.52 0.00 0.00 52.55 51.04 2wby s ASP 236 Cb -0.12 -2.29 0.72 0.00 -1.46 0.00 0.00 42.92 39.77 2wby s ASP 236 CO 0.02 -1.00 1.86 0.58 0.52 0.00 0.00 175.17 177.14 2wby h VAL 237 N 5.89 1.21 -0.22 1.11 2.07 -1.95 -0.46 116.25 123.91 2wby h VAL 237 Ca -0.29 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 2wby h VAL 237 Cb 1.09 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 2wby h VAL 237 CO 1.04 0.30 0.09 -0.09 0.02 0.00 0.00 177.57 178.92 2wby h ARG 238 N 0.19 0.33 -0.64 1.57 2.43 -1.93 -0.19 114.38 116.14 2wby h ARG 238 Ca 0.03 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 2wby h ARG 238 Cb 0.50 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.95 2wby h ARG 238 CO 0.03 0.39 0.38 0.37 -1.51 0.00 0.00 179.97 179.64 2wby h GLN 239 N 0.21 0.71 -0.75 0.20 4.15 -1.68 -0.30 115.11 117.64 2wby h GLN 239 Ca 0.07 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 2wby h GLN 239 Cb 0.18 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 2wby h GLN 239 CO -0.01 0.47 0.32 0.93 -1.93 0.00 0.00 178.83 178.61 2wby h GLU 240 N 0.73 1.11 -0.20 1.69 4.39 -0.68 0.26 114.58 121.88 2wby h GLU 240 Ca 0.27 -0.18 0.01 0.00 0.34 0.00 0.00 59.36 59.80 2wby h GLU 240 Cb 0.09 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2wby h GLU 240 CO -0.14 0.88 0.12 -0.07 -1.16 0.00 0.00 179.01 178.65 2wby h LEU 241 N 1.09 0.20 -0.02 1.33 3.38 -0.23 0.22 115.31 121.27 2wby h LEU 241 Ca 0.26 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 2wby h LEU 241 Cb 0.17 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2wby h LEU 241 CO -0.03 0.15 0.01 -0.07 0.09 0.00 0.00 178.44 178.59 2wby h LEU 242 N 0.25 0.02 -0.94 1.67 3.38 -0.52 0.16 115.31 119.34 2wby h LEU 242 Ca 0.08 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.04 2wby h LEU 242 Cb -0.01 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 2wby h LEU 242 CO -0.03 0.07 0.61 0.50 0.09 0.00 0.00 178.44 179.68 2wby h LYS 243 N -0.03 1.11 -0.36 1.13 3.64 -0.41 0.42 116.57 122.07 2wby h LYS 243 Ca 0.01 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 2wby h LYS 243 Cb 0.05 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 2wby h LYS 243 CO -0.00 0.74 -0.04 0.35 -2.27 0.00 0.00 179.45 178.22 2wby h PHE 244 N 1.15 0.73 -0.54 1.91 3.57 -0.17 0.15 116.94 123.74 2wby h PHE 244 Ca 0.39 -0.14 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 2wby h PHE 244 Cb 0.07 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 2wby h PHE 244 CO -0.01 0.79 0.17 1.25 -2.23 0.00 0.00 178.31 178.28 2wby h HIS 245 N 0.46 0.87 -0.53 0.41 2.76 -0.04 0.66 115.15 119.74 2wby h HIS 245 Ca 0.10 -0.09 -0.11 0.00 -2.20 0.00 0.00 60.37 58.06 2wby h HIS 245 Cb 0.53 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 2wby h HIS 245 CO 0.04 0.74 -0.12 1.03 -1.30 0.00 0.00 177.93 178.32 2wby h SER 246 N 0.75 1.01 0.75 3.26 0.87 0.05 0.51 113.55 120.75 2wby h SER 246 Ca 0.18 -0.34 -0.21 0.00 -1.23 0.00 0.00 61.79 60.19 2wby h SER 246 Cb 0.28 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 2wby h SER 246 CO -0.01 1.13 -0.97 0.00 -0.53 0.00 0.00 176.83 176.45 2wby h ALA 247 N 0.96 0.42 0.00 6.23 0.00 -0.39 -3.40 119.26 123.07 2wby h ALA 247 Ca 0.14 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 2wby h ALA 247 Cb 0.68 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2wby h ALA 247 CO 0.05 1.04 -1.21 0.66 0.00 0.00 0.00 179.25 179.79 2wby n TYR 248 N -3.53 0.00 -1.51 0.00 4.02 0.20 -4.64 117.16 111.69 2wby n TYR 248 Ca -0.03 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.46 2wby n TYR 248 Cb 0.88 -0.11 -0.02 0.00 -0.02 0.00 0.00 39.34 40.07 2wby n TYR 248 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2wby n TYR 249 N -1.70 2.58 -3.67 -0.72 0.53 0.16 -4.87 117.16 109.48 2wby n TYR 249 Ca -0.01 -3.03 -0.36 0.00 -1.02 0.00 0.00 57.90 53.48 2wby n TYR 249 Cb 0.16 -2.36 -0.06 0.00 -1.03 0.00 0.00 39.34 36.05 2wby n TYR 249 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 2wby s SER 250 N 1.89 6.60 0.47 7.72 0.15 -1.26 -4.84 113.70 124.43 2wby s SER 250 Ca 0.64 0.71 0.19 0.00 0.70 0.00 0.00 55.95 58.19 2wby s SER 250 Cb 0.17 -2.15 1.19 0.00 -1.71 0.00 0.00 66.02 63.52 2wby s SER 250 CO -0.07 0.30 1.97 0.77 1.20 0.00 0.00 173.24 177.42 2wby h SER 251 N 4.44 0.22 0.49 5.45 4.64 -1.46 -0.46 113.55 126.86 2wby h SER 251 Ca -0.52 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2wby h SER 251 Cb 1.21 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2wby h SER 251 CO 0.62 0.12 0.00 -0.46 -0.87 0.00 0.00 176.83 176.25 2wby n ASN 252 N -4.44 0.54 -1.03 4.97 6.94 -1.23 -1.85 115.26 119.15 2wby n ASN 252 Ca 0.11 0.66 0.08 0.00 -0.02 0.00 0.00 54.58 55.41 2wby n ASN 252 Cb 0.50 -0.76 0.25 0.00 -2.36 0.00 0.00 39.78 37.41 2wby n ASN 252 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2wby n LEU 253 N -2.13 3.68 -4.54 -4.53 4.77 -0.18 -4.89 117.00 109.18 2wby n LEU 253 Ca 0.01 -2.23 -0.31 0.00 -0.03 0.00 0.00 56.01 53.46 2wby n LEU 253 Cb 0.16 -0.40 -0.11 0.00 -2.33 0.00 0.00 43.42 40.74 2wby n LEU 253 CO 0.16 0.80 -0.43 -0.04 -1.33 0.00 0.00 177.39 176.55 2wby s MET 254 N -1.42 2.28 0.01 3.23 -1.94 -0.77 -0.24 119.30 120.45 2wby s MET 254 Ca 0.37 -0.89 0.06 0.00 -1.71 0.00 0.00 55.69 53.53 2wby s MET 254 Cb 0.22 -2.35 -0.02 0.00 2.01 0.00 0.00 34.83 34.70 2wby s MET 254 CO 0.21 0.56 -0.19 0.00 -0.01 0.00 0.00 175.02 175.58 2wby s ALA 255 N -1.03 1.62 0.05 3.03 0.00 -0.33 -2.35 121.76 122.74 2wby s ALA 255 Ca 0.17 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.29 2wby s ALA 255 Cb -0.11 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 2wby s ALA 255 CO 0.08 0.38 -0.18 0.08 0.00 0.00 0.00 175.76 176.12 2wby s VAL 256 N -0.60 1.44 -0.03 0.00 1.01 0.66 -1.09 120.40 121.79 2wby s VAL 256 Ca 0.07 -1.14 0.01 0.00 0.00 0.00 0.00 61.98 60.93 2wby s VAL 256 Cb -0.08 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.04 2wby s VAL 256 CO 0.00 0.11 -0.05 -0.69 0.00 0.00 0.00 175.10 174.47 2wby s VAL 257 N -0.84 0.52 -0.08 2.92 1.01 -0.06 -1.70 120.40 122.17 2wby s VAL 257 Ca 0.05 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.88 2wby s VAL 257 Cb -0.08 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.80 2wby s VAL 257 CO 0.02 0.20 -0.10 -0.69 0.00 0.00 0.00 175.10 174.53 2wby s VAL 258 N 0.61 1.04 -0.10 2.92 1.01 -0.80 -0.94 120.40 124.15 2wby s VAL 258 Ca -0.08 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.54 2wby s VAL 258 Cb -0.11 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.28 2wby s VAL 258 CO 0.00 0.35 -0.14 -0.22 0.00 0.00 0.00 175.10 175.09 2wby s LEU 259 N 1.09 1.67 0.00 3.92 0.20 0.81 -0.53 118.68 125.84 2wby s LEU 259 Ca -0.07 -0.40 -0.08 0.00 0.69 0.00 0.00 54.13 54.28 2wby s LEU 259 Cb -0.14 -1.03 0.03 0.00 -0.43 0.00 0.00 46.19 44.62 2wby s LEU 259 CO -0.01 0.01 0.46 0.61 -0.29 0.00 0.00 176.35 177.13 2wby n GLY 260 N 4.18 1.55 0.15 7.98 0.00 -0.55 -1.49 105.19 117.02 2wby n GLY 260 Ca -0.19 -1.23 0.04 0.00 0.00 0.00 0.00 46.02 44.65 2wby n GLY 260 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wby h ARG 261 N 0.00 0.00 -7.09 1.61 3.08 -1.86 0.15 114.38 110.26 2wby h ARG 261 Ca -0.20 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.32 2wby h ARG 261 Cb 0.77 0.00 0.20 0.00 0.08 0.00 0.00 29.97 31.01 2wby h ARG 261 CO 0.26 0.40 0.04 0.39 -1.07 0.00 0.00 179.97 179.99 2wby n GLU 262 N -3.18 -0.15 -1.09 0.04 4.71 -1.26 -4.29 120.64 115.42 2wby n GLU 262 Ca 0.02 0.02 -0.32 0.00 -0.01 0.00 0.00 57.16 56.88 2wby n GLU 262 Cb 0.70 -2.25 0.12 0.00 -1.01 0.00 0.00 31.44 29.00 2wby n GLU 262 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2wby s SER 263 N -2.24 3.87 0.25 1.62 1.04 -1.26 -4.64 113.70 112.34 2wby s SER 263 Ca 0.67 2.05 -0.07 0.00 0.48 0.00 0.00 55.95 59.08 2wby s SER 263 Cb -0.26 -2.55 0.43 0.00 0.10 0.00 0.00 66.02 63.74 2wby s SER 263 CO 0.58 -2.47 1.63 -0.07 0.98 0.00 0.00 173.24 173.88 2wby h LEU 264 N -1.24 -0.41 -0.82 2.42 3.38 -1.94 -0.34 115.31 116.37 2wby h LEU 264 Ca -0.44 0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.75 2wby h LEU 264 Cb 1.26 0.37 -0.04 0.00 0.09 0.00 0.00 40.66 42.33 2wby h LEU 264 CO 0.47 -0.20 0.54 0.44 0.09 0.00 0.00 178.44 179.79 2wby h ASP 265 N 0.08 0.93 -0.26 -0.43 3.45 -1.99 0.33 116.42 118.53 2wby h ASP 265 Ca 0.41 -0.02 -0.17 0.00 0.43 0.00 0.00 57.03 57.68 2wby h ASP 265 Cb 0.72 -0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 39.26 2wby h ASP 265 CO -0.69 0.66 -0.50 0.44 -1.57 0.00 0.00 179.24 177.59 2wby h ASP 266 N 1.09 0.93 -0.90 6.45 3.32 -1.73 -1.95 116.42 123.63 2wby h ASP 266 Ca 0.31 -0.47 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 2wby h ASP 266 Cb -0.10 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.15 2wby h ASP 266 CO -0.08 1.26 0.50 -0.07 -1.72 0.00 0.00 179.24 179.13 2wby h LEU 267 N 0.66 1.13 -0.69 1.55 3.38 -0.66 -0.54 115.31 120.13 2wby h LEU 267 Ca 0.03 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.93 2wby h LEU 267 Cb 1.09 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 2wby h LEU 267 CO 0.11 0.90 0.43 0.74 0.09 0.00 0.00 178.44 180.72 2wby h THR 268 N 1.26 1.09 -0.26 0.22 2.02 -0.03 -0.90 112.91 116.31 2wby h THR 268 Ca 0.32 -0.29 -0.16 0.00 0.77 0.00 0.00 66.41 67.05 2wby h THR 268 Cb 0.02 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 2wby h THR 268 CO -0.05 0.15 -0.47 0.78 0.37 0.00 0.00 175.52 176.31 2wby h ASN 269 N 0.85 0.74 -0.19 4.18 2.35 -0.81 -1.86 115.58 120.84 2wby h ASN 269 Ca 0.28 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 2wby h ASN 269 Cb 0.03 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 2wby h ASN 269 CO -0.11 1.09 0.09 0.25 -1.65 0.00 0.00 177.43 177.10 2wby h LEU 270 N 0.55 0.25 -0.12 1.61 7.12 -0.80 0.21 115.31 124.12 2wby h LEU 270 Ca 0.03 -0.13 -0.18 0.00 0.13 0.00 0.00 57.88 57.73 2wby h LEU 270 Cb 1.02 -0.06 0.01 0.00 -0.53 0.00 0.00 40.66 41.09 2wby h LEU 270 CO 0.10 0.31 -0.63 1.62 -0.13 0.00 0.00 178.44 179.71 2wby h VAL 271 N 0.17 1.33 -0.23 1.05 3.04 -1.09 0.70 116.25 121.21 2wby h VAL 271 Ca 0.06 -1.89 0.06 0.00 -1.01 0.00 0.00 66.70 63.92 2wby h VAL 271 Cb 0.13 2.10 -0.06 0.00 -2.01 0.00 0.00 31.29 31.46 2wby h VAL 271 CO -0.01 0.58 -0.15 0.58 -1.01 0.00 0.00 177.57 177.56 2wby h VAL 272 N 0.31 0.56 -0.45 1.51 2.07 -1.36 0.35 116.25 119.23 2wby h VAL 272 Ca -0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.57 2wby h VAL 272 Cb 1.27 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 31.51 2wby h VAL 272 CO 0.13 0.00 -0.09 0.50 0.02 0.00 0.00 177.57 178.14 2wby h LYS 273 N -0.14 0.02 0.00 1.57 3.64 -0.31 -2.63 116.57 118.72 2wby h LYS 273 Ca 0.13 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 2wby h LYS 273 Cb 0.34 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2wby h LYS 273 CO -0.32 0.02 -0.86 -0.07 -2.27 0.00 0.00 179.45 175.95 2wby h LEU 274 N 0.03 0.00 0.00 5.20 3.38 -0.04 -3.41 115.31 120.47 2wby h LEU 274 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2wby h LEU 274 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2wby h LEU 274 CO -0.45 0.18 -0.20 0.49 0.09 0.00 0.00 178.44 178.55 2wby n PHE 275 N -2.86 0.00 0.70 1.13 3.01 0.11 -4.62 117.46 114.93 2wby n PHE 275 Ca -0.01 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.56 2wby n PHE 275 Cb 0.63 0.00 0.47 0.00 -0.01 0.00 0.00 39.48 40.58 2wby n PHE 275 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2wby n SER 276 N -1.06 0.27 0.00 4.37 3.41 -1.00 -2.16 113.62 117.44 2wby n SER 276 Ca 0.00 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.28 2wby n SER 276 Cb 0.00 -0.61 0.63 0.00 -0.26 0.00 0.00 64.21 63.97 2wby n SER 276 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2wby n GLU 277 N -1.77 0.23 -1.96 4.33 0.28 -1.26 -4.79 120.64 115.70 2wby n GLU 277 Ca 0.05 0.04 -0.42 0.00 -0.16 0.00 0.00 57.16 56.68 2wby n GLU 277 Cb 0.30 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.64 2wby n GLU 277 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2wby s VAL 278 N -2.75 2.58 0.44 3.84 1.01 -0.92 -4.94 120.40 119.67 2wby s VAL 278 Ca 0.20 0.46 -0.23 0.00 0.00 0.00 0.00 61.98 62.41 2wby s VAL 278 Cb 0.18 -3.29 -0.08 0.00 0.00 0.00 0.00 36.38 33.18 2wby s VAL 278 CO 0.43 0.06 1.09 -0.70 0.00 0.00 0.00 175.10 175.98 2wby s GLU 279 N 0.23 3.92 -0.24 2.72 2.12 -1.26 -4.69 118.70 121.50 2wby s GLU 279 Ca 0.64 1.57 -0.03 0.00 0.36 0.00 0.00 54.97 57.50 2wby s GLU 279 Cb -0.43 -2.38 0.01 0.00 0.26 0.00 0.00 34.13 31.59 2wby s GLU 279 CO 0.39 -0.36 -0.03 1.21 -0.54 0.00 0.00 175.26 175.92 2wby s ASN 280 N -1.60 4.43 0.00 -1.70 2.47 -1.26 -1.28 114.94 115.99 2wby s ASN 280 Ca 0.62 -0.63 0.15 0.00 0.42 0.00 0.00 52.86 53.42 2wby s ASN 280 Cb -0.23 -1.73 0.25 0.00 -1.45 0.00 0.00 41.25 38.09 2wby s ASN 280 CO 0.28 -0.09 1.14 0.29 -3.72 0.00 0.00 177.10 175.00 2wby n LYS 281 N 4.76 1.88 -3.68 0.43 4.76 -1.26 -4.97 118.16 120.09 2wby n LYS 281 Ca -0.17 -1.78 -0.21 0.00 -2.87 0.00 0.00 58.31 53.28 2wby n LYS 281 Cb 0.49 -1.32 0.04 0.00 -1.84 0.00 0.00 35.03 32.40 2wby n LYS 281 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2wby n ASN 282 N 0.85 -1.40 -4.71 4.39 3.02 -1.26 -4.89 115.26 111.26 2wby n ASN 282 Ca 0.12 -0.79 -0.42 0.00 -0.03 0.00 0.00 54.58 53.46 2wby n ASN 282 Cb 0.43 -4.18 -0.03 0.00 -0.61 0.00 0.00 39.78 35.38 2wby n ASN 282 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wby s VAL 283 N -3.62 4.04 0.42 2.41 1.01 -1.26 -4.99 120.40 118.40 2wby s VAL 283 Ca 0.03 1.46 -0.25 0.00 0.00 0.00 0.00 61.98 63.22 2wby s VAL 283 Cb -0.01 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.35 2wby s VAL 283 CO 0.80 0.11 1.21 -2.84 0.00 0.00 0.00 175.10 174.38 2wby s PRO 284 N 1.06 3.95 0.01 2.72 0.02 -1.26 -4.88 135.00 136.62 2wby s PRO 284 Ca 0.59 1.92 -0.30 0.00 0.02 0.00 0.00 61.00 63.22 2wby s PRO 284 Cb -0.29 -2.64 -0.05 0.00 0.02 0.00 0.00 34.50 31.53 2wby s PRO 284 CO 0.29 -0.43 1.33 -1.17 -0.33 0.00 0.00 177.00 176.70 2wby s LEU 285 N -2.60 4.32 0.35 -5.54 0.20 -1.26 -4.94 118.68 109.22 2wby s LEU 285 Ca 0.58 2.07 -0.28 0.00 0.69 0.00 0.00 54.13 57.19 2wby s LEU 285 Cb -0.32 -3.57 -0.11 0.00 -0.43 0.00 0.00 46.19 41.76 2wby s LEU 285 CO 0.41 -0.65 1.48 -2.65 -0.29 0.00 0.00 176.35 174.65 2wby n PRO 286 N 4.96 2.61 -4.15 0.98 -0.02 -1.26 -5.02 135.00 133.10 2wby n PRO 286 Ca 0.12 0.92 -0.13 0.00 -2.02 0.00 0.00 63.50 62.38 2wby n PRO 286 Cb 0.44 -2.64 -0.11 0.00 -0.02 0.00 0.00 33.50 31.18 2wby n PRO 286 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2wby s GLU 287 N -1.74 0.78 -0.47 -0.52 -1.05 -1.26 -4.86 118.70 109.57 2wby s GLU 287 Ca 0.56 -1.12 0.08 0.00 -0.15 0.00 0.00 54.97 54.34 2wby s GLU 287 Cb -0.49 -0.41 0.29 0.00 -0.44 0.00 0.00 34.13 33.08 2wby s GLU 287 CO 0.61 0.05 0.70 1.19 0.95 0.00 0.00 175.26 178.76 2wby n PHE 288 N 0.61 1.46 0.27 4.83 3.72 0.11 -4.95 117.46 123.52 2wby n PHE 288 Ca -0.17 -3.84 0.14 0.00 -0.05 0.00 0.00 57.45 53.54 2wby n PHE 288 Cb 0.58 -0.44 0.75 0.00 -0.94 0.00 0.00 39.48 39.42 2wby n PHE 288 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wby h PRO 289 N 3.59 0.00 -6.01 -1.08 0.13 -1.80 -3.37 132.00 123.46 2wby h PRO 289 Ca 0.12 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.68 2wby h PRO 289 Cb 0.79 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.86 2wby h PRO 289 CO 0.62 0.10 0.36 -2.00 -0.23 0.00 0.00 178.00 176.85 2wby s GLU 290 N -4.05 4.34 0.17 0.86 2.12 -1.26 -4.80 118.70 116.08 2wby s GLU 290 Ca -0.02 1.06 -0.30 0.00 0.36 0.00 0.00 54.97 56.06 2wby s GLU 290 Cb 0.12 -3.55 -0.08 0.00 0.26 0.00 0.00 34.13 30.88 2wby s GLU 290 CO 0.56 -0.26 1.28 -1.58 -0.54 0.00 0.00 175.26 174.73 2wby s HIS 291 N 1.88 3.31 0.36 5.30 5.65 -1.26 -4.89 115.29 125.65 2wby s HIS 291 Ca 0.40 1.24 0.38 0.00 0.25 0.00 0.00 55.06 57.32 2wby s HIS 291 Cb -0.17 -3.56 1.97 0.00 -1.18 0.00 0.00 32.58 29.65 2wby s HIS 291 CO 0.15 -1.73 2.15 -1.00 -0.65 0.00 0.00 174.74 173.65 2wby h PRO 292 N 5.67 0.00 -4.54 2.88 0.13 -1.94 -3.35 132.00 130.85 2wby h PRO 292 Ca -0.44 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 63.98 2wby h PRO 292 Cb 1.21 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.12 2wby h PRO 292 CO 0.78 0.00 -0.46 -0.06 -0.23 0.00 0.00 178.00 178.03 2wby s PHE 293 N -3.92 3.24 0.40 1.56 0.08 -1.26 -0.94 117.98 117.13 2wby s PHE 293 Ca -0.03 -0.69 0.06 0.00 0.12 0.00 0.00 56.93 56.38 2wby s PHE 293 Cb 0.11 -2.54 0.07 0.00 -0.57 0.00 0.00 43.02 40.09 2wby s PHE 293 CO 0.38 -0.60 0.55 1.04 -0.10 0.00 0.00 175.22 176.49 2wby n GLN 294 N 5.11 0.66 -0.18 0.44 1.13 -1.26 -4.94 117.38 118.34 2wby n GLN 294 Ca -0.11 -2.05 -0.03 0.00 -1.94 0.00 0.00 57.00 52.87 2wby n GLN 294 Cb 0.47 -0.20 0.03 0.00 0.11 0.00 0.00 30.24 30.65 2wby n GLN 294 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2wby h GLU 295 N 0.00 -0.07 0.00 -1.09 5.08 -1.97 -0.24 114.58 116.29 2wby h GLU 295 Ca -0.19 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2wby h GLU 295 Cb 0.83 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2wby h GLU 295 CO 0.26 -0.05 0.09 1.05 -1.00 0.00 0.00 179.01 179.36 2wby h GLU 296 N -0.08 0.00 -0.20 2.33 9.09 -2.01 -1.58 114.58 122.13 2wby h GLU 296 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.66 2wby h GLU 296 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.57 2wby h GLU 296 CO -0.60 0.00 0.00 0.72 0.05 0.00 0.00 179.01 179.18 2wby n HIS 297 N -2.79 0.25 -3.36 2.06 8.25 -0.11 -4.93 115.22 114.59 2wby n HIS 297 Ca -0.02 -0.12 -0.19 0.00 -0.26 0.00 0.00 57.72 57.13 2wby n HIS 297 Cb 0.14 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.25 2wby n HIS 297 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2wby s LEU 298 N -1.68 3.86 -1.49 2.41 1.43 -0.60 -4.42 118.68 118.19 2wby s LEU 298 Ca 0.34 -0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 53.09 2wby s LEU 298 Cb 0.20 -2.69 0.06 0.00 0.03 0.00 0.00 46.19 43.79 2wby s LEU 298 CO 0.30 -0.52 0.66 0.29 0.23 0.00 0.00 176.35 177.30 2wby n LYS 299 N -1.68 -3.90 -4.39 1.70 5.02 0.12 -4.91 118.16 110.11 2wby n LYS 299 Ca 0.02 0.46 -0.30 0.00 -2.02 0.00 0.00 58.31 56.48 2wby n LYS 299 Cb 0.58 -4.94 -0.12 0.00 -0.02 0.00 0.00 35.03 30.54 2wby n LYS 299 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2wby s GLN 300 N -6.59 1.80 -0.05 1.97 -1.52 -1.23 -0.72 119.66 113.32 2wby s GLN 300 Ca 0.31 -1.16 0.04 0.00 -1.95 0.00 0.00 55.36 52.60 2wby s GLN 300 Cb -0.17 -2.10 -0.00 0.00 -0.22 0.00 0.00 33.01 30.52 2wby s GLN 300 CO 0.88 0.49 -0.17 -1.17 -0.25 0.00 0.00 175.29 175.07 2wby s LEU 301 N -1.99 1.88 -0.08 2.90 2.96 -0.28 -1.36 118.68 122.72 2wby s LEU 301 Ca 0.17 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 2wby s LEU 301 Cb -0.10 -0.98 0.01 0.00 0.50 0.00 0.00 46.19 45.62 2wby s LEU 301 CO 0.09 0.13 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.80 2wby s TYR 302 N 0.16 1.69 -0.20 5.38 1.51 0.61 -1.11 117.35 125.40 2wby s TYR 302 Ca -0.07 -0.67 -0.03 0.00 -1.01 0.00 0.00 57.07 55.29 2wby s TYR 302 Cb -0.13 -1.22 -0.01 0.00 -0.11 0.00 0.00 41.96 40.50 2wby s TYR 302 CO 0.03 -0.33 -0.06 0.15 -1.11 0.00 0.00 175.55 174.23 2wby s LYS 303 N 0.68 3.39 -0.02 -0.62 1.02 -0.52 -0.38 119.74 123.29 2wby s LYS 303 Ca -0.14 -0.63 0.04 0.00 0.02 0.00 0.00 55.97 55.26 2wby s LYS 303 Cb -0.16 -2.93 -0.01 0.00 -0.52 0.00 0.00 37.83 34.21 2wby s LYS 303 CO 0.04 -0.10 -0.15 0.42 -0.92 0.00 0.00 175.35 174.63 2wby s ILE 304 N 1.22 1.19 -0.28 2.17 1.01 0.53 -1.11 121.20 125.92 2wby s ILE 304 Ca 0.03 -0.63 -0.21 0.00 0.00 0.00 0.00 60.65 59.84 2wby s ILE 304 Cb -0.14 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.32 2wby s ILE 304 CO -0.02 0.34 0.68 -0.69 0.00 0.00 0.00 174.94 175.25 2wby s VAL 305 N -0.23 4.92 0.76 2.92 1.01 -0.86 -1.26 120.40 127.66 2wby s VAL 305 Ca 0.03 1.09 -0.09 0.00 0.00 0.00 0.00 61.98 63.00 2wby s VAL 305 Cb -0.07 -4.01 0.08 0.00 0.00 0.00 0.00 36.38 32.37 2wby s VAL 305 CO -0.00 -0.09 1.10 -2.16 0.00 0.00 0.00 175.10 173.95 2wby s PRO 306 N 2.66 2.02 -0.09 2.72 0.04 -1.26 -4.55 135.00 136.54 2wby s PRO 306 Ca 0.28 -0.10 -0.02 0.00 0.04 0.00 0.00 61.00 61.20 2wby s PRO 306 Cb -0.15 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 2wby s PRO 306 CO 0.10 -1.45 -0.04 0.82 0.04 0.00 0.00 177.00 176.47 2wby h ILE 307 N -0.85 0.00 -3.91 0.56 1.08 -1.97 -3.47 117.51 108.96 2wby h ILE 307 Ca -0.45 -0.86 -0.48 0.00 -0.39 0.00 0.00 64.86 62.68 2wby h ILE 307 Cb 1.32 0.00 0.17 0.00 -3.07 0.00 0.00 36.82 35.24 2wby h ILE 307 CO 0.62 0.00 0.19 -0.54 -0.69 0.00 0.00 178.15 177.73 2wby s LYS 308 N -1.62 0.66 -1.01 2.37 1.02 -1.26 -4.93 119.74 114.97 2wby s LYS 308 Ca -0.03 0.93 -0.16 0.00 0.02 0.00 0.00 55.97 56.72 2wby s LYS 308 Cb 0.00 -1.73 0.16 0.00 -0.52 0.00 0.00 37.83 35.74 2wby s LYS 308 CO 0.05 -2.68 1.18 0.34 -0.92 0.00 0.00 175.35 173.32 2wby s ASP 309 N -3.09 6.80 0.08 2.83 2.15 -1.26 -4.84 116.67 119.34 2wby s ASP 309 Ca 0.65 -2.44 0.07 0.00 0.43 0.00 0.00 52.55 51.26 2wby s ASP 309 Cb -0.20 -2.38 -0.03 0.00 -0.30 0.00 0.00 42.92 40.01 2wby s ASP 309 CO 0.59 -0.90 -0.19 0.27 -0.17 0.00 0.00 175.17 174.77 2wby s ILE 310 N 1.98 1.57 -0.16 4.11 -4.36 -1.26 -4.87 121.20 118.22 2wby s ILE 310 Ca 0.34 -1.38 -0.01 0.00 -0.26 0.00 0.00 60.65 59.35 2wby s ILE 310 Cb -0.05 -1.42 0.04 0.00 1.25 0.00 0.00 42.46 42.28 2wby s ILE 310 CO -0.07 -0.01 -0.05 0.00 0.24 0.00 0.00 174.94 175.05 2wby s ARG 311 N -1.63 1.43 0.11 0.37 1.70 -1.26 -4.15 118.95 115.51 2wby s ARG 311 Ca 0.05 -0.47 0.03 0.00 -0.47 0.00 0.00 55.73 54.88 2wby s ARG 311 Cb -0.09 -1.93 -0.04 0.00 -0.57 0.00 0.00 34.95 32.32 2wby s ARG 311 CO 0.03 -0.41 -0.09 -0.80 -1.08 0.00 0.00 175.30 172.95 2wby s ASN 312 N 1.65 1.45 -0.06 -2.89 0.01 -0.45 -0.50 114.94 114.15 2wby s ASN 312 Ca 0.01 -0.91 0.02 0.00 -0.71 0.00 0.00 52.86 51.27 2wby s ASN 312 Cb -0.15 0.03 0.01 0.00 0.41 0.00 0.00 41.25 41.55 2wby s ASN 312 CO -0.08 -0.33 -0.12 -0.22 -1.51 0.00 0.00 177.10 174.84 2wby s LEU 313 N -2.78 1.64 -0.21 0.60 2.96 -0.26 -0.71 118.68 119.92 2wby s LEU 313 Ca 0.10 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.73 2wby s LEU 313 Cb 0.01 -0.82 0.04 0.00 0.50 0.00 0.00 46.19 45.92 2wby s LEU 313 CO -0.01 0.03 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.62 2wby s TYR 314 N 0.67 2.64 -0.16 5.38 2.02 0.49 -0.74 117.35 127.65 2wby s TYR 314 Ca -0.15 -1.74 -0.04 0.00 -0.37 0.00 0.00 57.07 54.77 2wby s TYR 314 Cb -0.16 -1.74 -0.03 0.00 -0.40 0.00 0.00 41.96 39.63 2wby s TYR 314 CO 0.04 -0.78 -0.02 0.08 -1.57 0.00 0.00 175.55 173.29 2wby s VAL 315 N 1.32 4.04 -0.02 0.71 1.01 -0.25 -1.12 120.40 126.09 2wby s VAL 315 Ca -0.02 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.70 2wby s VAL 315 Cb -0.16 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 2wby s VAL 315 CO -0.08 0.49 -0.13 -0.89 0.00 0.00 0.00 175.10 174.49 2wby s THR 316 N 0.32 1.06 -0.10 3.92 2.01 0.40 -1.01 115.64 122.25 2wby s THR 316 Ca -0.03 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 61.44 2wby s THR 316 Cb -0.14 -0.90 0.01 0.00 0.01 0.00 0.00 72.50 71.48 2wby s THR 316 CO 0.02 0.31 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.75 2wby s PHE 317 N -0.14 1.90 0.39 4.92 0.40 0.03 -0.51 117.98 124.97 2wby s PHE 317 Ca 0.02 -0.83 -0.26 0.00 -0.60 0.00 0.00 56.93 55.26 2wby s PHE 317 Cb -0.07 -1.36 -0.09 0.00 0.51 0.00 0.00 43.02 42.01 2wby s PHE 317 CO 0.00 -0.41 1.25 -1.25 0.70 0.00 0.00 175.22 175.51 2wby s PRO 318 N 0.83 4.06 0.07 0.24 0.04 -1.26 -0.67 135.00 138.30 2wby s PRO 318 Ca -0.10 2.04 -0.05 0.00 0.04 0.00 0.00 61.00 62.93 2wby s PRO 318 Cb -0.15 -2.78 -0.02 0.00 0.04 0.00 0.00 34.50 31.59 2wby s PRO 318 CO 0.01 -0.38 0.08 0.96 0.04 0.00 0.00 177.00 177.72 2wby s ILE 319 N -1.29 0.18 1.00 0.56 -4.36 -0.40 -4.85 121.20 112.03 2wby s ILE 319 Ca 0.56 -1.46 -0.12 0.00 -0.26 0.00 0.00 60.65 59.37 2wby s ILE 319 Cb -0.35 -1.39 0.19 0.00 1.25 0.00 0.00 42.46 42.15 2wby s ILE 319 CO 0.45 -0.81 1.08 -2.16 0.24 0.00 0.00 174.94 173.75 2wby s PRO 320 N -3.80 0.41 -0.08 0.37 0.04 -1.26 -1.67 135.00 129.00 2wby s PRO 320 Ca 0.05 0.85 -0.30 0.00 0.04 0.00 0.00 61.00 61.64 2wby s PRO 320 Cb 0.06 -1.71 -0.05 0.00 0.04 0.00 0.00 34.50 32.85 2wby s PRO 320 CO -0.10 -2.83 1.57 0.34 0.04 0.00 0.00 177.00 176.02 2wby s ASP 321 N -3.08 6.71 0.00 6.66 3.68 -1.25 -4.01 116.67 125.39 2wby s ASP 321 Ca 0.66 2.10 0.23 0.00 2.13 0.00 0.00 52.55 57.66 2wby s ASP 321 Cb -0.21 -2.53 0.63 0.00 -1.45 0.00 0.00 42.92 39.36 2wby s ASP 321 CO 0.59 -0.91 1.50 0.18 0.13 0.00 0.00 175.17 176.67 2wby n LEU 322 N 7.08 2.31 -0.34 -1.34 4.77 -1.26 -4.47 117.00 123.75 2wby n LEU 322 Ca 0.17 -0.92 0.09 0.00 -0.03 0.00 0.00 56.01 55.32 2wby n LEU 322 Cb 0.43 -0.11 0.27 0.00 -2.33 0.00 0.00 43.42 41.68 2wby n LEU 322 CO 0.61 0.46 1.17 -0.61 -1.33 0.00 0.00 177.39 177.70 2wby h GLN 323 N 3.19 0.76 0.00 3.23 5.75 -1.99 0.35 115.11 126.39 2wby h GLN 323 Ca 0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 2wby h GLN 323 Cb 0.69 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.07 2wby h GLN 323 CO 0.00 0.50 0.00 0.36 -2.65 0.00 0.00 178.83 177.04 2wby n LYS 324 N -4.76 0.05 -0.52 1.69 2.85 -1.26 -1.63 118.16 114.58 2wby n LYS 324 Ca 0.20 0.23 0.08 0.00 -1.05 0.00 0.00 58.31 57.77 2wby n LYS 324 Cb 0.47 -1.50 0.30 0.00 -0.65 0.00 0.00 35.03 33.65 2wby n LYS 324 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2wby n TYR 325 N -1.45 1.25 -0.02 5.58 4.01 0.12 -4.64 117.16 122.01 2wby n TYR 325 Ca 0.04 -0.49 0.23 0.00 -0.16 0.00 0.00 57.90 57.52 2wby n TYR 325 Cb 0.16 -0.21 0.64 0.00 -0.31 0.00 0.00 39.34 39.61 2wby n TYR 325 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 2wby h TYR 326 N 3.40 0.00 -0.03 -0.72 -0.00 -1.37 -0.03 116.97 118.21 2wby h TYR 326 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.67 2wby h TYR 326 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.97 2wby h TYR 326 CO 0.64 0.00 -0.28 0.87 -0.00 0.00 0.00 178.16 179.39 2wby h LYS 327 N 0.00 0.06 0.00 0.10 1.57 -1.87 -3.25 116.57 113.18 2wby h LYS 327 Ca 0.30 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.05 2wby h LYS 327 Cb 1.77 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 34.07 2wby h LYS 327 CO -0.00 0.34 -1.21 -1.13 -0.57 0.00 0.00 179.45 176.87 2wby n SER 328 N -4.18 4.03 -3.76 0.86 3.41 -0.20 0.05 113.62 113.83 2wby n SER 328 Ca -0.02 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.27 2wby n SER 328 Cb 0.35 1.04 0.02 0.00 -0.26 0.00 0.00 64.21 65.36 2wby n SER 328 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2wby n ASN 329 N -1.77 -5.12 -0.31 4.04 2.85 -0.22 -4.76 115.26 109.97 2wby n ASN 329 Ca -0.02 -1.01 -0.03 0.00 -0.11 0.00 0.00 54.58 53.41 2wby n ASN 329 Cb 0.24 -2.70 0.09 0.00 1.24 0.00 0.00 39.78 38.66 2wby n ASN 329 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2wby h PRO 330 N -1.56 1.08 -0.62 1.20 0.13 -1.92 -2.09 132.00 128.22 2wby h PRO 330 Ca -0.62 -0.07 0.08 0.00 -0.87 0.00 0.00 66.00 64.53 2wby h PRO 330 Cb 1.35 -0.24 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 2wby h PRO 330 CO 0.45 0.72 0.41 0.78 -0.23 0.00 0.00 178.00 180.13 2wby h GLY 331 N 1.12 0.71 1.43 1.56 0.00 -1.92 0.02 103.07 105.98 2wby h GLY 331 Ca 0.32 -0.22 -0.14 0.00 0.00 0.00 0.00 47.33 47.30 2wby h GLY 331 CO -0.08 0.15 -0.40 0.84 0.00 0.00 0.00 176.54 177.05 2wby h HIS 332 N 0.53 0.75 -0.55 5.60 -0.00 -1.75 -0.87 115.15 118.87 2wby h HIS 332 Ca 0.28 -0.22 -0.07 0.00 -0.00 0.00 0.00 60.37 60.35 2wby h HIS 332 Cb 0.39 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.62 2wby h HIS 332 CO -0.00 0.93 0.06 -0.92 -0.00 0.00 0.00 177.93 177.99 2wby h TYR 333 N 0.52 1.01 0.04 5.26 3.20 -0.73 -0.40 116.97 125.87 2wby h TYR 333 Ca 0.04 -0.15 -0.22 0.00 3.14 0.00 0.00 58.73 61.54 2wby h TYR 333 Cb 0.92 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 2wby h TYR 333 CO 0.04 0.90 -1.03 -0.07 -1.64 0.00 0.00 178.16 176.36 2wby h LEU 334 N 0.83 0.20 -0.29 2.82 3.38 -1.28 -2.85 115.31 118.11 2wby h LEU 334 Ca 0.16 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2wby h LEU 334 Cb 0.46 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2wby h LEU 334 CO 0.02 1.11 0.05 1.23 0.09 0.00 0.00 178.44 180.94 2wby h GLY 335 N 2.21 0.33 1.00 0.83 0.00 -1.03 0.20 103.07 106.61 2wby h GLY 335 Ca -0.06 -0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.27 2wby h GLY 335 CO 0.15 -0.02 0.64 0.84 0.00 0.00 0.00 176.54 178.16 2wby h HIS 336 N 0.16 1.21 0.01 5.60 -0.00 -0.94 0.17 115.15 121.37 2wby h HIS 336 Ca 0.14 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.54 2wby h HIS 336 Cb 0.15 -0.41 0.00 0.00 -0.00 0.00 0.00 27.41 27.15 2wby h HIS 336 CO -0.17 0.74 -0.01 -0.07 -0.00 0.00 0.00 177.93 178.42 2wby h LEU 337 N 1.29 -0.02 -1.77 0.26 4.07 -1.26 -1.88 115.31 116.01 2wby h LEU 337 Ca 0.37 -0.71 -0.01 0.00 0.08 0.00 0.00 57.88 57.61 2wby h LEU 337 Cb -0.10 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 2wby h LEU 337 CO -0.09 0.82 0.02 0.40 -1.08 0.00 0.00 178.44 178.51 2wby h ILE 338 N -0.97 1.07 -0.02 1.22 2.04 -0.60 -1.86 117.51 118.39 2wby h ILE 338 Ca -0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2wby h ILE 338 Cb 0.72 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2wby h ILE 338 CO 0.00 0.08 -0.04 0.61 0.00 0.00 0.00 178.15 178.81 2wby n GLY 339 N -1.36 0.19 3.66 5.37 0.00 0.60 -4.72 105.19 108.93 2wby n GLY 339 Ca -0.01 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 2wby n GLY 339 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wby n HIS 340 N 0.38 1.21 -0.05 1.61 -0.00 -0.70 -4.83 115.22 112.83 2wby n HIS 340 Ca 0.17 0.42 0.00 0.00 0.46 0.00 0.00 57.72 58.76 2wby n HIS 340 Cb 0.42 -2.17 0.00 0.00 -0.12 0.00 0.00 29.99 28.12 2wby n HIS 340 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2wby n GLU 341 N -1.73 0.62 -1.29 1.57 1.02 -1.26 -4.25 120.64 115.32 2wby n GLU 341 Ca 0.14 -0.37 -0.17 0.00 -0.02 0.00 0.00 57.16 56.75 2wby n GLU 341 Cb 0.48 -0.86 0.11 0.00 -0.02 0.00 0.00 31.44 31.16 2wby n GLU 341 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wby n GLY 342 N 0.19 -0.90 3.65 0.62 0.00 -1.26 -4.27 105.19 103.22 2wby n GLY 342 Ca 0.00 -1.76 -0.44 0.00 0.00 0.00 0.00 46.02 43.82 2wby n GLY 342 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wby n PRO 343 N -2.57 1.81 0.00 1.61 -0.02 -1.26 -1.81 135.00 132.76 2wby n PRO 343 Ca 0.10 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2wby n PRO 343 Cb 0.35 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2wby n PRO 343 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wby n GLY 344 N 1.17 2.27 3.74 -1.23 0.00 -1.26 -4.69 105.19 105.19 2wby n GLY 344 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2wby n GLY 344 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wby s SER 345 N -2.20 4.21 0.21 1.61 1.04 -0.75 -1.96 113.70 115.86 2wby s SER 345 Ca 0.00 2.00 -0.12 0.00 0.48 0.00 0.00 55.95 58.31 2wby s SER 345 Cb 0.00 -2.54 0.27 0.00 0.10 0.00 0.00 66.02 63.85 2wby s SER 345 CO 0.00 -2.24 1.64 0.25 0.98 0.00 0.00 173.24 173.87 2wby h LEU 346 N -1.01 -0.46 -0.36 2.42 5.85 -1.84 -2.50 115.31 117.41 2wby h LEU 346 Ca -0.44 0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.52 2wby h LEU 346 Cb 1.25 0.35 -0.09 0.00 0.37 0.00 0.00 40.66 42.54 2wby h LEU 346 CO 0.49 -0.18 -0.41 0.25 -0.34 0.00 0.00 178.44 178.26 2wby h LEU 347 N 0.04 -1.35 -0.85 2.25 6.46 -1.86 -2.27 115.31 117.74 2wby h LEU 347 Ca 0.32 0.21 0.14 0.00 -0.12 0.00 0.00 57.88 58.42 2wby h LEU 347 Cb 0.50 0.59 -0.09 0.00 -0.73 0.00 0.00 40.66 40.93 2wby h LEU 347 CO -0.61 -0.37 0.45 0.28 -0.62 0.00 0.00 178.44 177.58 2wby h SER 348 N -0.34 0.57 -0.12 1.25 0.02 -1.73 0.28 113.55 113.47 2wby h SER 348 Ca 0.13 0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.08 2wby h SER 348 Cb 0.58 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2wby h SER 348 CO -0.54 0.26 -0.25 -0.08 -1.14 0.00 0.00 176.83 175.08 2wby h GLU 349 N 0.66 0.38 -0.49 3.45 4.57 -1.36 -1.21 114.58 120.59 2wby h GLU 349 Ca 0.46 -0.25 0.01 0.00 -1.18 0.00 0.00 59.36 58.40 2wby h GLU 349 Cb 0.61 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.21 2wby h GLU 349 CO -0.34 0.85 0.33 -0.07 -1.18 0.00 0.00 179.01 178.59 2wby h LEU 350 N -0.04 0.54 -0.11 1.64 3.38 -0.54 -0.10 115.31 120.08 2wby h LEU 350 Ca 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2wby h LEU 350 Cb 0.84 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2wby h LEU 350 CO 0.05 0.38 -0.05 0.50 0.09 0.00 0.00 178.44 179.42 2wby h LYS 351 N 0.63 0.23 -0.32 1.13 3.64 -0.45 -1.33 116.57 120.11 2wby h LYS 351 Ca 0.19 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2wby h LYS 351 Cb -0.02 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 2wby h LYS 351 CO -0.04 0.57 0.14 0.77 -2.27 0.00 0.00 179.45 178.62 2wby h SER 352 N -0.11 0.39 0.44 4.20 0.02 -0.10 0.74 113.55 119.13 2wby h SER 352 Ca 0.03 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wby h SER 352 Cb 0.50 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2wby h SER 352 CO 0.02 0.35 0.00 0.29 -1.14 0.00 0.00 176.83 176.34 2wby n LYS 353 N -4.42 0.43 -1.50 3.45 5.02 -0.16 -4.88 118.16 116.10 2wby n LYS 353 Ca 0.02 0.03 -0.07 0.00 -2.02 0.00 0.00 58.31 56.26 2wby n LYS 353 Cb 0.12 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.61 2wby n LYS 353 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wby n GLY 354 N 0.93 0.68 0.10 0.72 0.00 0.26 -4.95 105.19 102.93 2wby n GLY 354 Ca 0.13 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 2wby n GLY 354 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wby n TRP 355 N -3.16 0.94 -3.82 1.61 8.01 -0.52 -4.12 117.44 116.38 2wby n TRP 355 Ca -0.08 0.29 -0.11 0.00 -1.31 0.00 0.00 57.50 56.29 2wby n TRP 355 Cb 0.34 -1.16 -0.09 0.00 -2.01 0.00 0.00 31.31 28.40 2wby n TRP 355 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.69 176.82 2wby s VAL 356 N -2.57 0.09 -0.18 -0.99 -7.23 -1.17 -1.03 120.40 107.33 2wby s VAL 356 Ca -0.11 -0.75 0.14 0.00 -1.81 0.00 0.00 61.98 59.45 2wby s VAL 356 Cb 0.07 -0.76 -0.20 0.00 0.56 0.00 0.00 36.38 36.05 2wby s VAL 356 CO 0.80 -0.41 0.03 0.59 -0.31 0.00 0.00 175.10 175.80 2wby n ASN 357 N 0.95 0.94 -4.05 4.85 3.02 -1.26 -3.97 115.26 115.74 2wby n ASN 357 Ca -0.20 -0.01 -0.10 0.00 -0.03 0.00 0.00 54.58 54.23 2wby n ASN 357 Cb 0.58 0.77 -0.11 0.00 -0.61 0.00 0.00 39.78 40.41 2wby n ASN 357 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2wby s THR 358 N -2.42 0.36 -0.03 3.41 -4.23 -1.26 -5.03 115.64 106.44 2wby s THR 358 Ca -0.11 -1.21 -0.02 0.00 -1.18 0.00 0.00 61.69 59.16 2wby s THR 358 Cb 0.05 -0.73 0.01 0.00 1.34 0.00 0.00 72.50 73.18 2wby s THR 358 CO 0.68 -0.56 0.07 -0.22 -0.54 0.00 0.00 174.62 174.05 2wby s LEU 359 N -1.88 1.56 -0.03 4.79 0.20 -1.26 -2.55 118.68 119.51 2wby s LEU 359 Ca -0.07 0.15 0.06 0.00 0.69 0.00 0.00 54.13 54.95 2wby s LEU 359 Cb -0.06 0.22 -0.01 0.00 -0.43 0.00 0.00 46.19 45.91 2wby s LEU 359 CO -0.02 -0.05 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.10 2wby s VAL 360 N 0.26 1.59 0.05 1.68 1.01 -0.24 -4.96 120.40 119.79 2wby s VAL 360 Ca -0.02 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2wby s VAL 360 Cb -0.03 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 2wby s VAL 360 CO -0.01 0.45 -0.05 -0.83 0.00 0.00 0.00 175.10 174.67 2wby s GLY 361 N -0.28 0.46 0.00 4.51 0.00 -1.26 -0.47 107.32 110.27 2wby s GLY 361 Ca 0.03 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.80 2wby s GLY 361 CO 0.01 -1.04 0.00 0.61 0.00 0.00 0.00 173.10 172.68 2wby n GLY 362 N 0.82 0.90 3.91 0.20 0.00 -0.80 -4.65 105.19 105.56 2wby n GLY 362 Ca -0.19 -1.81 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 2wby n GLY 362 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wby s GLN 363 N -2.00 3.46 -0.02 1.61 -2.07 -1.26 -0.87 119.66 118.51 2wby s GLN 363 Ca 0.00 -0.37 0.02 0.00 -1.82 0.00 0.00 55.36 53.19 2wby s GLN 363 Cb 0.00 -3.05 0.01 0.00 -1.09 0.00 0.00 33.01 28.88 2wby s GLN 363 CO 0.00 0.62 -0.05 0.21 -1.32 0.00 0.00 175.29 174.75 2wby s LYS 364 N -2.32 0.60 0.52 9.60 2.20 0.13 -4.92 119.74 125.55 2wby s LYS 364 Ca 0.33 -0.17 -0.21 0.00 -0.36 0.00 0.00 55.97 55.55 2wby s LYS 364 Cb -0.13 -0.60 -0.06 0.00 -1.51 0.00 0.00 37.83 35.53 2wby s LYS 364 CO 0.25 0.05 1.22 -1.21 -0.36 0.00 0.00 175.35 175.30 2wby s GLU 365 N 0.25 3.37 0.00 4.03 2.02 -1.26 -0.96 118.70 126.15 2wby s GLU 365 Ca -0.03 1.88 0.00 0.00 0.02 0.00 0.00 54.97 56.84 2wby s GLU 365 Cb -0.07 -2.21 0.00 0.00 0.10 0.00 0.00 34.13 31.95 2wby s GLU 365 CO -0.00 -0.90 0.00 0.41 0.02 0.00 0.00 175.26 174.78 2wby n GLY 366 N 0.50 0.52 2.19 -1.39 0.00 -1.11 -4.68 105.19 101.22 2wby n GLY 366 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 2wby n GLY 366 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wby n ALA 367 N -2.80 -0.54 -1.60 4.61 0.00 -0.64 -4.97 120.51 114.56 2wby n ALA 367 Ca 0.00 -0.93 -0.50 0.00 0.00 0.00 0.00 53.44 52.01 2wby n ALA 367 Cb 0.00 0.74 -0.06 0.00 0.00 0.00 0.00 19.45 20.14 2wby n ALA 367 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wby n ARG 368 N -0.35 1.64 0.00 0.00 5.12 -1.26 -0.85 116.66 120.95 2wby n ARG 368 Ca -0.02 0.55 0.00 0.00 -1.93 0.00 0.00 57.85 56.45 2wby n ARG 368 Cb 0.37 -2.55 0.00 0.00 -1.16 0.00 0.00 32.46 29.12 2wby n ARG 368 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wby n GLY 369 N 5.19 1.80 3.39 -0.13 0.00 -1.26 0.08 105.19 114.25 2wby n GLY 369 Ca 0.30 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.16 2wby n GLY 369 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wby s PHE 370 N -1.90 -0.44 0.32 1.61 -0.12 -0.03 -3.76 117.98 113.66 2wby s PHE 370 Ca 0.00 0.78 0.04 0.00 -0.05 0.00 0.00 56.93 57.71 2wby s PHE 370 Cb 0.00 0.25 -0.02 0.00 -0.63 0.00 0.00 43.02 42.61 2wby s PHE 370 CO 0.00 -0.48 0.30 -1.64 -0.05 0.00 0.00 175.22 173.36 2wby s MET 371 N -1.09 1.73 0.11 1.99 -1.94 -0.67 -1.62 119.30 117.80 2wby s MET 371 Ca -0.11 -1.92 0.04 0.00 -1.71 0.00 0.00 55.69 51.99 2wby s MET 371 Cb -0.03 0.34 -0.04 0.00 2.01 0.00 0.00 34.83 37.12 2wby s MET 371 CO 0.06 -0.65 -0.10 -0.06 -0.01 0.00 0.00 175.02 174.26 2wby s PHE 372 N -3.45 1.12 -0.11 -0.03 0.40 -0.13 -1.28 117.98 114.51 2wby s PHE 372 Ca 0.38 -0.70 0.03 0.00 -0.60 0.00 0.00 56.93 56.05 2wby s PHE 372 Cb 0.02 -0.60 0.00 0.00 0.51 0.00 0.00 43.02 42.96 2wby s PHE 372 CO 0.24 0.02 -0.22 0.12 0.70 0.00 0.00 175.22 176.08 2wby s PHE 373 N -2.76 2.45 0.18 0.36 2.19 0.15 0.21 117.98 120.75 2wby s PHE 373 Ca 0.09 -1.07 0.09 0.00 0.33 0.00 0.00 56.93 56.37 2wby s PHE 373 Cb -0.01 -1.66 -0.04 0.00 -1.31 0.00 0.00 43.02 40.00 2wby s PHE 373 CO -0.00 -0.46 -0.18 0.96 1.83 0.00 0.00 175.22 177.37 2wby s ILE 374 N 0.53 1.85 -0.14 3.12 -4.36 -0.05 -0.79 121.20 121.36 2wby s ILE 374 Ca -0.15 -1.99 -0.04 0.00 -0.26 0.00 0.00 60.65 58.21 2wby s ILE 374 Cb -0.17 -1.90 0.06 0.00 1.25 0.00 0.00 42.46 41.70 2wby s ILE 374 CO 0.05 -0.35 0.11 -0.63 0.24 0.00 0.00 174.94 174.36 2wby s ILE 375 N -2.19 -0.15 -0.03 8.37 1.01 -0.18 -1.91 121.20 126.12 2wby s ILE 375 Ca 0.17 0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.92 2wby s ILE 375 Cb -0.05 -0.47 -0.02 0.00 0.01 0.00 0.00 42.46 41.94 2wby s ILE 375 CO 0.07 -0.13 -0.26 0.20 0.00 0.00 0.00 174.94 174.83 2wby s ASN 376 N 2.19 3.05 0.11 3.58 0.01 0.37 -1.09 114.94 123.16 2wby s ASN 376 Ca 0.03 -0.49 0.04 0.00 -0.71 0.00 0.00 52.86 51.74 2wby s ASN 376 Cb -0.15 -0.54 -0.04 0.00 0.41 0.00 0.00 41.25 40.94 2wby s ASN 376 CO -0.08 0.29 -0.11 0.68 -1.51 0.00 0.00 177.10 176.38 2wby s VAL 377 N -0.43 1.02 0.65 1.60 -7.23 0.08 -1.08 120.40 115.01 2wby s VAL 377 Ca 0.05 -1.72 -0.05 0.00 -1.81 0.00 0.00 61.98 58.44 2wby s VAL 377 Cb -0.11 -1.47 0.05 0.00 0.56 0.00 0.00 36.38 35.40 2wby s VAL 377 CO 0.01 -0.58 0.95 1.51 -0.31 0.00 0.00 175.10 176.68 2wby s ASP 378 N -2.57 5.05 -0.03 4.85 3.84 -1.06 -1.10 116.67 125.64 2wby s ASP 378 Ca 0.08 0.42 0.03 0.00 -0.00 0.00 0.00 52.55 53.08 2wby s ASP 378 Cb -0.02 -1.19 0.00 0.00 -1.38 0.00 0.00 42.92 40.34 2wby s ASP 378 CO 0.00 -1.41 -0.12 -0.76 -0.00 0.00 0.00 175.17 172.88 2wby s LEU 379 N -5.11 1.84 0.97 2.11 1.43 0.34 -4.18 118.68 116.09 2wby s LEU 379 Ca 0.58 -0.25 -0.15 0.00 -1.03 0.00 0.00 54.13 53.28 2wby s LEU 379 Cb -0.11 -0.72 0.18 0.00 0.03 0.00 0.00 46.19 45.57 2wby s LEU 379 CO 0.44 0.10 1.20 0.42 0.23 0.00 0.00 176.35 178.74 2wby s THR 380 N 0.13 1.92 0.12 5.49 -4.23 -0.19 -4.65 115.64 114.23 2wby s THR 380 Ca -0.03 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.28 2wby s THR 380 Cb -0.10 -2.82 -0.06 0.00 1.34 0.00 0.00 72.50 70.86 2wby s THR 380 CO 0.01 0.00 1.78 -0.33 -0.54 0.00 0.00 174.62 175.54 2wby h GLU 381 N -1.70 0.28 -0.61 3.99 5.08 -1.88 -1.02 114.58 118.72 2wby h GLU 381 Ca -0.47 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 57.95 2wby h GLU 381 Cb 1.29 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 2wby h GLU 381 CO 0.49 0.18 0.28 0.93 -1.00 0.00 0.00 179.01 179.89 2wby h GLU 382 N 0.28 0.50 -0.67 2.33 4.39 -1.92 -3.08 114.58 116.41 2wby h GLU 382 Ca 0.08 -0.03 0.12 0.00 0.34 0.00 0.00 59.36 59.87 2wby h GLU 382 Cb -0.02 -0.11 -0.09 0.00 -0.10 0.00 0.00 28.75 28.43 2wby h GLU 382 CO -0.03 0.33 0.23 0.78 -1.16 0.00 0.00 179.01 179.16 2wby h GLY 383 N 0.51 0.96 0.75 -3.84 0.00 -1.33 0.35 103.07 100.47 2wby h GLY 383 Ca 0.29 -0.10 0.12 0.00 0.00 0.00 0.00 47.33 47.64 2wby h GLY 383 CO -0.24 -0.09 0.52 -2.00 0.00 0.00 0.00 176.54 174.74 2wby h LEU 384 N 0.38 0.57 -0.01 3.11 5.85 -1.18 0.11 115.31 124.14 2wby h LEU 384 Ca 0.36 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.10 2wby h LEU 384 Cb 0.52 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2wby h LEU 384 CO -0.38 0.32 0.00 0.18 -0.34 0.00 0.00 178.44 178.22 2wby n LEU 385 N -4.51 0.42 -1.27 2.25 4.77 0.12 -3.99 117.00 114.79 2wby n LEU 385 Ca 0.14 0.54 -0.08 0.00 -0.03 0.00 0.00 56.01 56.58 2wby n LEU 385 Cb 0.41 -0.41 0.14 0.00 -2.33 0.00 0.00 43.42 41.22 2wby n LEU 385 CO 0.32 -0.11 0.40 1.41 -1.33 0.00 0.00 177.39 178.09 2wby n HIS 386 N -1.89 1.28 -0.12 -1.77 8.25 0.36 -4.82 115.22 116.51 2wby n HIS 386 Ca 0.06 -1.83 -0.05 0.00 -0.26 0.00 0.00 57.72 55.64 2wby n HIS 386 Cb 0.38 -0.38 0.01 0.00 1.12 0.00 0.00 29.99 31.13 2wby n HIS 386 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2wby h VAL 387 N 1.41 0.57 -0.43 1.59 2.07 -1.64 0.79 116.25 120.61 2wby h VAL 387 Ca 0.19 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 2wby h VAL 387 Cb 1.30 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 2wby h VAL 387 CO 0.40 0.00 0.26 -0.08 0.02 0.00 0.00 177.57 178.17 2wby h GLU 388 N -0.02 0.57 -0.09 1.57 4.81 -1.92 0.70 114.58 120.20 2wby h GLU 388 Ca 0.20 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.22 2wby h GLU 388 Cb 0.31 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.58 2wby h GLU 388 CO -0.42 0.40 -0.59 -0.44 -0.73 0.00 0.00 179.01 177.22 2wby h ASP 389 N 0.58 0.67 -0.76 1.04 3.32 -1.59 -1.04 116.42 118.64 2wby h ASP 389 Ca 0.15 -0.66 0.09 0.00 0.02 0.00 0.00 57.03 56.63 2wby h ASP 389 Cb -0.03 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 39.25 2wby h ASP 389 CO -0.03 1.23 0.41 0.40 -1.72 0.00 0.00 179.24 179.53 2wby h ILE 390 N 0.16 0.88 -0.18 0.35 2.04 -0.41 0.24 117.51 120.58 2wby h ILE 390 Ca -0.05 -0.24 -0.17 0.00 1.00 0.00 0.00 64.86 65.41 2wby h ILE 390 Cb 1.24 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2wby h ILE 390 CO 0.12 0.13 -0.58 0.40 0.00 0.00 0.00 178.15 178.22 2wby h ILE 391 N 0.69 1.32 -0.74 -0.67 2.04 -0.74 -1.11 117.51 118.30 2wby h ILE 391 Ca 0.37 -1.83 0.10 0.00 1.00 0.00 0.00 64.86 64.49 2wby h ILE 391 Cb 0.36 1.80 -0.07 0.00 -0.74 0.00 0.00 36.82 38.17 2wby h ILE 391 CO -0.26 0.57 0.39 0.25 0.00 0.00 0.00 178.15 179.10 2wby h LEU 392 N 0.44 0.52 -0.96 1.44 5.85 -0.52 -0.02 115.31 122.05 2wby h LEU 392 Ca 0.00 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 2wby h LEU 392 Cb 1.14 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2wby h LEU 392 CO 0.11 0.29 -0.35 0.45 -0.34 0.00 0.00 178.44 178.60 2wby h HIS 393 N 0.65 0.36 -0.13 1.25 3.86 0.07 0.20 115.15 121.42 2wby h HIS 393 Ca 0.37 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 2wby h HIS 393 Cb 0.38 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 2wby h HIS 393 CO -0.10 0.63 0.08 0.52 0.86 0.00 0.00 177.93 179.93 2wby h MET 394 N 0.27 0.16 -0.09 2.45 2.86 0.12 -0.76 114.93 119.94 2wby h MET 394 Ca 0.03 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 2wby h MET 394 Cb 0.75 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 2wby h MET 394 CO 0.06 0.11 -0.26 0.74 1.06 0.00 0.00 176.91 178.62 2wby h PHE 395 N 0.17 0.18 -0.49 -0.22 -1.00 -0.42 -0.05 116.94 115.11 2wby h PHE 395 Ca 0.05 -0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.75 2wby h PHE 395 Cb -0.01 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.48 2wby h PHE 395 CO -0.07 0.41 0.12 1.96 -1.61 0.00 0.00 178.31 179.11 2wby h GLN 396 N 0.15 0.79 -0.58 1.51 4.20 -0.42 0.16 115.11 120.92 2wby h GLN 396 Ca 0.02 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.47 2wby h GLN 396 Cb 0.54 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 2wby h GLN 396 CO 0.04 0.77 0.10 -0.92 -0.67 0.00 0.00 178.83 178.14 2wby h TYR 397 N 0.67 1.03 -0.76 2.96 3.20 -0.41 -0.98 116.97 122.68 2wby h TYR 397 Ca 0.15 -0.14 0.04 0.00 3.14 0.00 0.00 58.73 61.92 2wby h TYR 397 Cb 0.34 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 2wby h TYR 397 CO 0.02 0.89 0.50 0.82 -1.64 0.00 0.00 178.16 178.76 2wby h ILE 398 N 0.87 1.09 0.00 1.81 2.04 -0.66 -2.11 117.51 120.55 2wby h ILE 398 Ca 0.18 -0.31 -0.12 0.00 1.00 0.00 0.00 64.86 65.61 2wby h ILE 398 Cb 0.42 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 2wby h ILE 398 CO 0.01 0.16 -0.59 -0.61 0.00 0.00 0.00 178.15 177.13 2wby h GLN 399 N 0.90 0.00 0.00 2.37 5.75 0.55 -0.92 115.11 123.75 2wby h GLN 399 Ca 0.31 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.74 2wby h GLN 399 Cb 0.10 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 2wby h GLN 399 CO -0.09 0.59 -0.33 -0.22 -2.65 0.00 0.00 178.83 176.13 2wby h LYS 400 N 0.00 0.00 -0.15 1.69 1.63 -0.58 -0.45 116.57 118.70 2wby h LYS 400 Ca -0.01 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.57 2wby h LYS 400 Cb 1.09 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.73 2wby h LYS 400 CO 0.08 0.33 -0.78 -0.07 -3.45 0.00 0.00 179.45 175.55 2wby h LEU 401 N 0.00 0.95 -0.33 5.20 3.38 -0.90 -1.78 115.31 121.83 2wby h LEU 401 Ca -0.00 -0.63 0.04 0.00 0.09 0.00 0.00 57.88 57.38 2wby h LEU 401 Cb 0.60 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 2wby h LEU 401 CO 0.04 1.43 0.09 0.03 0.09 0.00 0.00 178.44 180.12 2wby h ARG 402 N 0.55 0.21 -0.31 1.13 3.08 -0.68 -1.06 114.38 117.30 2wby h ARG 402 Ca -0.05 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 59.85 2wby h ARG 402 Cb 1.41 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.40 2wby h ARG 402 CO 0.16 0.14 -0.33 0.00 -1.07 0.00 0.00 179.97 178.87 2wby h ALA 403 N 1.22 0.83 0.00 0.04 0.00 -1.03 -2.19 119.26 118.13 2wby h ALA 403 Ca 0.15 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2wby h ALA 403 Cb 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2wby h ALA 403 CO -0.17 0.64 0.00 0.93 0.00 0.00 0.00 179.25 180.65 2wby h GLU 404 N 0.57 0.00 -3.36 0.00 4.39 -1.22 -3.50 114.58 111.46 2wby h GLU 404 Ca 0.06 0.00 0.36 0.00 0.34 0.00 0.00 59.36 60.12 2wby h GLU 404 Cb 0.85 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.34 2wby h GLU 404 CO 0.07 0.00 -1.01 0.41 -1.16 0.00 0.00 179.01 177.32 2wby n GLY 405 N 1.14 -2.89 3.66 -3.84 0.00 -0.41 -4.87 105.19 97.98 2wby n GLY 405 Ca 0.05 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 2wby n GLY 405 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wby n PRO 406 N -4.29 1.54 -4.03 1.61 -0.02 -1.26 -4.94 135.00 123.60 2wby n PRO 406 Ca -0.06 0.55 -0.31 0.00 -2.02 0.00 0.00 63.50 61.67 2wby n PRO 406 Cb 0.67 -2.23 -0.15 0.00 -0.02 0.00 0.00 33.50 31.76 2wby n PRO 406 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2wby s GLN 407 N -2.26 1.69 0.29 -0.52 -1.52 -1.26 -4.98 119.66 111.09 2wby s GLN 407 Ca 0.65 -1.71 0.02 0.00 -1.95 0.00 0.00 55.36 52.37 2wby s GLN 407 Cb -0.51 -3.10 0.60 0.00 -0.22 0.00 0.00 33.01 29.79 2wby s GLN 407 CO 0.55 -0.83 1.81 1.49 -0.25 0.00 0.00 175.29 178.06 2wby h GLU 408 N 7.66 0.85 -0.45 2.91 4.81 -2.00 -1.99 114.58 126.38 2wby h GLU 408 Ca -0.08 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 2wby h GLU 408 Cb 1.03 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 2wby h GLU 408 CO 0.50 0.56 0.17 0.11 -0.73 0.00 0.00 179.01 179.63 2wby h TRP 409 N 0.88 0.64 0.35 0.92 5.08 -1.98 0.25 115.95 122.08 2wby h TRP 409 Ca 0.52 -0.03 -0.02 0.00 1.08 0.00 0.00 58.89 60.44 2wby h TRP 409 Cb 0.63 -0.20 0.00 0.00 -3.00 0.00 0.00 29.16 26.59 2wby h TRP 409 CO -0.01 0.51 -0.17 0.28 -1.28 0.00 0.00 178.44 177.76 2wby h VAL 410 N 0.64 0.66 -0.45 0.12 2.07 -1.80 0.77 116.25 118.26 2wby h VAL 410 Ca 0.16 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.68 2wby h VAL 410 Cb 0.14 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 2wby h VAL 410 CO -0.01 0.01 0.19 0.15 0.02 0.00 0.00 177.57 177.93 2wby h PHE 411 N -0.49 0.35 -0.90 1.57 3.57 -1.07 -0.24 116.94 119.73 2wby h PHE 411 Ca -0.05 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.51 2wby h PHE 411 Cb 0.38 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 2wby h PHE 411 CO -0.05 0.16 0.59 0.37 -2.23 0.00 0.00 178.31 177.15 2wby h GLN 412 N 0.39 1.07 -0.27 1.11 5.75 -0.27 0.16 115.11 123.06 2wby h GLN 412 Ca 0.20 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.58 2wby h GLN 412 Cb 0.16 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 2wby h GLN 412 CO -0.18 0.71 -0.06 1.49 -2.65 0.00 0.00 178.83 178.14 2wby h GLU 413 N 1.10 0.51 -0.48 1.69 4.81 0.22 -1.01 114.58 121.43 2wby h GLU 413 Ca 0.36 -0.19 0.08 0.00 -0.13 0.00 0.00 59.36 59.48 2wby h GLU 413 Cb 0.05 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.34 2wby h GLU 413 CO -0.11 0.72 0.11 -0.07 -0.73 0.00 0.00 179.01 178.93 2wby h LEU 414 N 0.27 0.04 -0.16 1.64 3.38 -0.71 -1.73 115.31 118.03 2wby h LEU 414 Ca 0.07 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.15 2wby h LEU 414 Cb 0.53 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2wby h LEU 414 CO 0.03 0.05 -0.05 0.50 0.09 0.00 0.00 178.44 179.06 2wby h LYS 415 N 0.25 -0.01 -0.62 1.13 3.64 -0.40 -1.28 116.57 119.29 2wby h LYS 415 Ca 0.24 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 2wby h LYS 415 Cb 0.31 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 2wby h LYS 415 CO -0.30 -0.01 0.25 -0.44 -2.27 0.00 0.00 179.45 176.69 2wby h ASP 416 N -0.01 0.82 -0.30 4.20 3.32 -1.00 -0.48 116.42 122.97 2wby h ASP 416 Ca 0.08 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 2wby h ASP 416 Cb 0.13 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2wby h ASP 416 CO -0.17 0.73 -0.13 -0.07 -1.72 0.00 0.00 179.24 177.87 2wby h LEU 417 N 0.88 0.64 -0.97 1.55 -0.00 -1.13 -1.63 115.31 114.65 2wby h LEU 417 Ca 0.21 -0.40 0.01 0.00 -0.00 0.00 0.00 57.88 57.70 2wby h LEU 417 Cb 0.16 -0.18 -0.05 0.00 -0.00 0.00 0.00 40.66 40.60 2wby h LEU 417 CO -0.02 0.90 0.64 0.78 -0.00 0.00 0.00 178.44 180.74 2wby h ASN 418 N 0.38 1.12 -0.53 -0.43 4.21 -0.88 0.22 115.58 119.66 2wby h ASN 418 Ca 0.07 -0.03 -0.02 0.00 1.21 0.00 0.00 56.30 57.53 2wby h ASN 418 Cb 0.65 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.55 2wby h ASN 418 CO 0.04 0.81 0.27 0.00 -1.29 0.00 0.00 177.43 177.26 2wby h ALA 419 N 1.35 0.68 -0.06 -0.83 0.00 -0.88 0.36 119.26 119.88 2wby h ALA 419 Ca 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2wby h ALA 419 Cb -0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 2wby h ALA 419 CO -0.08 0.23 0.00 0.28 0.00 0.00 0.00 179.25 179.69 2wby h VAL 420 N 0.71 1.24 -0.61 0.00 2.07 -0.77 0.19 116.25 119.08 2wby h VAL 420 Ca 0.18 -0.74 0.12 0.00 0.82 0.00 0.00 66.70 67.09 2wby h VAL 420 Cb 0.10 1.61 -0.09 0.00 -1.52 0.00 0.00 31.29 31.38 2wby h VAL 420 CO -0.03 0.20 0.08 0.00 0.02 0.00 0.00 177.57 177.84 2wby h ALA 421 N 0.74 0.68 -0.75 1.67 0.00 -0.36 -0.78 119.26 120.44 2wby h ALA 421 Ca 0.02 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2wby h ALA 421 Cb 0.32 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2wby h ALA 421 CO 0.00 -0.35 0.33 0.35 0.00 0.00 0.00 179.25 179.58 2wby h PHE 422 N 0.19 1.12 -0.52 0.00 3.57 0.08 -1.31 116.94 120.08 2wby h PHE 422 Ca 0.32 -0.07 -0.09 0.00 3.53 0.00 0.00 57.97 61.66 2wby h PHE 422 Cb 0.50 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 2wby h PHE 422 CO -0.30 0.84 -0.04 -0.09 -2.23 0.00 0.00 178.31 176.50 2wby h ARG 423 N 1.07 0.90 -0.55 1.11 2.43 -0.08 -3.25 114.38 116.01 2wby h ARG 423 Ca 0.25 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2wby h ARG 423 Cb 0.17 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2wby h ARG 423 CO -0.03 0.92 0.00 1.19 -1.51 0.00 0.00 179.97 180.54 2wby n PHE 424 N -4.18 0.74 -1.74 2.20 0.99 -0.38 -4.27 117.46 110.81 2wby n PHE 424 Ca 0.02 -0.49 -0.37 0.00 -0.00 0.00 0.00 57.45 56.61 2wby n PHE 424 Cb 0.34 -0.01 0.06 0.00 -1.00 0.00 0.00 39.48 38.87 2wby n PHE 424 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.76 175.17 2wby s LYS 425 N -1.01 2.66 0.58 -1.08 -2.85 -0.51 -4.94 119.74 112.58 2wby s LYS 425 Ca 0.37 2.11 -0.20 0.00 -1.00 0.00 0.00 55.97 57.26 2wby s LYS 425 Cb 0.20 -1.93 -0.04 0.00 -2.06 0.00 0.00 37.83 34.00 2wby s LYS 425 CO 0.26 -1.53 1.25 -0.51 0.10 0.00 0.00 175.35 174.92 2wby s ASP 426 N -1.29 5.18 0.16 0.03 1.01 -1.26 -4.96 116.67 115.53 2wby s ASP 426 Ca 0.81 2.50 -0.31 0.00 0.71 0.00 0.00 52.55 56.26 2wby s ASP 426 Cb -0.38 -2.61 -0.09 0.00 1.01 0.00 0.00 42.92 40.85 2wby s ASP 426 CO 0.42 -1.61 1.41 -0.75 0.21 0.00 0.00 175.17 174.85 2wby s LYS 427 N -3.20 4.31 0.62 8.23 2.20 -1.26 -5.01 119.74 125.63 2wby s LYS 427 Ca 0.76 2.16 -0.12 0.00 -0.36 0.00 0.00 55.97 58.41 2wby s LYS 427 Cb -0.34 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 2wby s LYS 427 CO 0.37 -0.43 1.03 -1.21 -0.36 0.00 0.00 175.35 174.76 2wby s GLU 428 N 0.64 3.51 0.21 4.03 8.01 -1.26 -4.29 118.70 129.55 2wby s GLU 428 Ca 0.63 0.83 -0.30 0.00 0.01 0.00 0.00 54.97 56.14 2wby s GLU 428 Cb -0.39 -2.07 -0.08 0.00 -4.31 0.00 0.00 34.13 27.28 2wby s GLU 428 CO 0.34 -0.64 1.17 1.03 0.01 0.00 0.00 175.26 177.17 2wby s ARG 429 N -4.98 4.53 0.23 1.61 0.52 -1.26 -4.94 118.95 114.66 2wby s ARG 429 Ca 0.56 1.86 -0.10 0.00 -0.52 0.00 0.00 55.73 57.53 2wby s ARG 429 Cb -0.12 -3.23 0.35 0.00 0.52 0.00 0.00 34.95 32.48 2wby s ARG 429 CO 0.51 -0.00 1.64 -1.35 0.02 0.00 0.00 175.30 176.11 2wby h PRO 430 N 4.81 0.08 -0.75 3.54 0.11 -1.96 -1.80 132.00 136.02 2wby h PRO 430 Ca -0.45 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 2wby h PRO 430 Cb 1.21 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 2wby h PRO 430 CO 0.72 0.05 0.45 -0.09 -0.21 0.00 0.00 178.00 178.92 2wby h ARG 431 N 0.08 1.03 -0.02 1.05 2.43 -1.90 -0.33 114.38 116.72 2wby h ARG 431 Ca 0.37 -0.09 -0.15 0.00 -0.81 0.00 0.00 59.98 59.29 2wby h ARG 431 Cb 0.61 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 2wby h ARG 431 CO -0.64 0.73 -0.68 0.78 -1.51 0.00 0.00 179.97 178.65 2wby h GLY 432 N 1.03 0.09 0.47 2.80 0.00 -1.87 -2.89 103.07 102.70 2wby h GLY 432 Ca 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 2wby h GLY 432 CO -0.05 0.11 -0.14 -1.82 0.00 0.00 0.00 176.54 174.64 2wby h TYR 433 N 0.05 -0.37 -0.85 5.60 3.20 -0.67 -0.16 116.97 123.77 2wby h TYR 433 Ca -0.01 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.96 2wby h TYR 433 Cb 1.21 0.12 -0.08 0.00 1.54 0.00 0.00 36.73 39.53 2wby h TYR 433 CO 0.01 -0.04 0.49 1.79 -1.64 0.00 0.00 178.16 178.77 2wby h THR 434 N -0.94 0.87 -0.27 1.81 1.35 -1.19 0.12 112.91 114.67 2wby h THR 434 Ca -0.04 -0.27 -0.04 0.00 -0.55 0.00 0.00 66.41 65.51 2wby h THR 434 Cb 0.50 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.94 2wby h THR 434 CO 0.07 0.14 0.01 -1.28 -0.25 0.00 0.00 175.52 174.21 2wby h SER 435 N 0.78 0.45 0.12 5.36 0.87 -1.44 0.33 113.55 120.02 2wby h SER 435 Ca 0.42 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2wby h SER 435 Cb 0.44 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2wby h SER 435 CO -0.27 0.63 -0.06 0.50 -0.53 0.00 0.00 176.83 177.10 2wby h LYS 436 N 0.25 -0.15 -0.56 2.24 3.64 -0.38 -2.77 116.57 118.84 2wby h LYS 436 Ca 0.08 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 2wby h LYS 436 Cb 0.39 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.19 2wby h LYS 436 CO 0.01 0.07 0.26 0.82 -2.27 0.00 0.00 179.45 178.34 2wby h ILE 437 N -0.36 0.89 -0.57 2.00 1.08 -0.63 -0.34 117.51 119.59 2wby h ILE 437 Ca -0.02 -0.17 0.14 0.00 -0.39 0.00 0.00 64.86 64.43 2wby h ILE 437 Cb 0.29 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 34.38 2wby h ILE 437 CO 0.03 0.09 0.40 0.00 -0.69 0.00 0.00 178.15 177.97 2wby h ALA 438 N 1.33 2.34 -0.01 1.87 0.00 -0.19 -1.22 119.26 123.39 2wby h ALA 438 Ca 0.26 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2wby h ALA 438 Cb 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2wby h ALA 438 CO -0.21 -0.50 -0.01 0.78 0.00 0.00 0.00 179.25 179.31 2wby h GLY 439 N 0.14 0.03 2.00 0.00 0.00 -0.81 -3.24 103.07 101.18 2wby h GLY 439 Ca 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2wby h GLY 439 CO -0.04 0.03 0.00 0.29 0.00 0.00 0.00 176.54 176.82 2wby n ILE 440 N -4.81 0.72 0.29 2.60 -0.00 -0.56 -2.73 119.36 114.87 2wby n ILE 440 Ca -0.08 0.02 0.16 0.00 -0.00 0.00 0.00 62.75 62.84 2wby n ILE 440 Cb 0.28 -0.91 0.76 0.00 -0.00 0.00 0.00 39.64 39.77 2wby n ILE 440 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2wby h LEU 441 N 0.00 0.00 -0.02 7.28 3.38 -1.32 0.88 115.31 125.51 2wby h LEU 441 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wby h LEU 441 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2wby h LEU 441 CO 0.00 0.00 -0.06 1.41 0.09 0.00 0.00 178.44 179.88 2wby n HIS 442 N -2.65 0.00 0.10 1.13 8.25 -1.10 -3.96 115.22 116.98 2wby n HIS 442 Ca -0.01 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.47 2wby n HIS 442 Cb 0.15 -0.41 -0.03 0.00 1.12 0.00 0.00 29.99 30.82 2wby n HIS 442 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2wby n TYR 443 N -1.42 0.00 -4.16 4.41 4.02 0.28 -5.05 117.16 115.24 2wby n TYR 443 Ca 0.09 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.82 2wby n TYR 443 Cb 0.32 -0.04 -0.13 0.00 -0.02 0.00 0.00 39.34 39.46 2wby n TYR 443 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2wby s TYR 444 N -1.77 0.65 0.47 -0.72 2.02 -1.05 -5.11 117.35 111.83 2wby s TYR 444 Ca 0.00 -0.27 -0.22 0.00 -0.37 0.00 0.00 57.07 56.21 2wby s TYR 444 Cb 0.03 -0.40 -0.09 0.00 -0.40 0.00 0.00 41.96 41.09 2wby s TYR 444 CO 0.16 -0.03 0.93 -2.30 -1.57 0.00 0.00 175.55 172.74 2wby n PRO 445 N 2.31 1.15 -0.41 -1.71 -0.02 -1.26 -4.76 135.00 130.29 2wby n PRO 445 Ca -0.17 0.42 0.37 0.00 -2.02 0.00 0.00 63.50 62.10 2wby n PRO 445 Cb 0.56 -2.01 0.64 0.00 -0.02 0.00 0.00 33.50 32.68 2wby n PRO 445 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wby n LEU 446 N 0.29 0.27 0.15 2.45 4.77 -1.26 -1.32 117.00 122.34 2wby n LEU 446 Ca 0.10 1.51 0.13 0.00 -0.03 0.00 0.00 56.01 57.72 2wby n LEU 446 Cb 0.42 -0.74 0.34 0.00 -2.33 0.00 0.00 43.42 41.10 2wby n LEU 446 CO 0.55 -1.66 0.86 -0.33 -1.33 0.00 0.00 177.39 175.48 2wby h GLU 447 N 0.00 0.00 -0.30 3.23 3.07 -1.89 -3.18 114.58 115.51 2wby h GLU 447 Ca 0.87 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.73 2wby h GLU 447 Cb 2.61 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.52 2wby h GLU 447 CO -0.60 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.40 2wby n GLU 448 N -2.56 2.16 -0.02 2.33 1.02 -0.44 -2.35 120.64 120.78 2wby n GLU 448 Ca 0.05 -1.94 -0.00 0.00 -0.02 0.00 0.00 57.16 55.24 2wby n GLU 448 Cb 0.45 -1.35 0.29 0.00 -0.02 0.00 0.00 31.44 30.81 2wby n GLU 448 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 2wby h VAL 449 N 3.00 1.19 0.00 2.62 -1.51 -1.53 -0.12 116.25 119.91 2wby h VAL 449 Ca 0.00 -0.75 -0.06 0.00 -1.23 0.00 0.00 66.70 64.66 2wby h VAL 449 Cb 0.76 0.87 -0.01 0.00 -2.13 0.00 0.00 31.29 30.79 2wby h VAL 449 CO 0.00 0.26 -0.29 -0.07 -1.23 0.00 0.00 177.57 176.24 2wby h LEU 450 N 0.55 0.00 0.00 4.19 3.38 -1.83 -3.34 115.31 118.26 2wby h LEU 450 Ca 0.12 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 2wby h LEU 450 Cb 0.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2wby h LEU 450 CO 0.01 0.29 -2.12 0.35 0.09 0.00 0.00 178.44 177.06 2wby n THR 451 N -3.23 0.57 0.03 0.22 -2.24 -0.93 -4.54 114.28 104.15 2wby n THR 451 Ca 0.02 -0.64 -0.02 0.00 -2.27 0.00 0.00 64.05 61.14 2wby n THR 451 Cb 0.59 -0.20 0.26 0.00 -2.10 0.00 0.00 70.33 68.87 2wby n THR 451 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wby h ALA 452 N 1.60 1.24 -0.61 6.98 0.00 -1.15 -0.54 119.26 126.79 2wby h ALA 452 Ca -0.21 -0.29 -0.26 0.00 0.00 0.00 0.00 54.91 54.15 2wby h ALA 452 Cb 1.49 -0.12 -0.15 0.00 0.00 0.00 0.00 17.79 19.00 2wby h ALA 452 CO 0.01 0.50 0.33 0.39 0.00 0.00 0.00 179.25 180.48 2wby n GLU 453 N -4.18 2.39 0.00 0.00 1.02 -1.26 -4.22 120.64 114.39 2wby n GLU 453 Ca 0.00 -2.12 0.00 0.00 -0.02 0.00 0.00 57.16 55.02 2wby n GLU 453 Cb 0.34 -1.88 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 2wby n GLU 453 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2wby n TYR 454 N -0.34 0.00 -3.99 -0.32 4.01 -0.35 -5.11 117.16 111.06 2wby n TYR 454 Ca 0.35 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.84 2wby n TYR 454 Cb 1.20 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 40.20 2wby n TYR 454 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2wby s LEU 455 N -3.50 4.18 0.02 7.72 1.43 -0.38 -4.71 118.68 123.44 2wby s LEU 455 Ca 0.00 0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.21 2wby s LEU 455 Cb 0.00 -2.75 -0.02 0.00 0.03 0.00 0.00 46.19 43.45 2wby s LEU 455 CO 0.00 0.03 -0.15 -0.76 0.23 0.00 0.00 176.35 175.69 2wby s LEU 456 N -3.39 2.12 0.09 1.79 1.43 -1.26 -4.92 118.68 114.54 2wby s LEU 456 Ca 0.34 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 2wby s LEU 456 Cb -0.10 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 45.40 2wby s LEU 456 CO 0.27 0.10 0.00 1.21 0.23 0.00 0.00 176.35 178.17 2wby n GLU 457 N 2.15 0.00 -4.94 1.70 4.07 0.11 -4.92 120.64 118.81 2wby n GLU 457 Ca -0.17 0.00 -0.28 0.00 -0.06 0.00 0.00 57.16 56.65 2wby n GLU 457 Cb 0.55 -0.25 -0.17 0.00 -0.06 0.00 0.00 31.44 31.51 2wby n GLU 457 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 2wby s GLU 458 N -2.00 2.30 0.05 5.31 -1.05 -1.15 -5.02 118.70 117.14 2wby s GLU 458 Ca 0.00 -0.68 -0.31 0.00 -0.15 0.00 0.00 54.97 53.84 2wby s GLU 458 Cb 0.00 -1.84 -0.07 0.00 -0.44 0.00 0.00 34.13 31.78 2wby s GLU 458 CO 0.00 0.17 1.39 0.12 0.95 0.00 0.00 175.26 177.89 2wby s PHE 459 N 0.32 3.04 -0.52 4.83 5.36 -1.26 -4.10 117.98 125.64 2wby s PHE 459 Ca -0.13 0.90 0.04 0.00 -0.96 0.00 0.00 56.93 56.78 2wby s PHE 459 Cb -0.15 -3.66 0.15 0.00 -0.34 0.00 0.00 43.02 39.02 2wby s PHE 459 CO 0.05 -2.36 0.34 1.03 -1.46 0.00 0.00 175.22 172.81 2wby s ARG 460 N 1.79 1.66 0.37 10.12 1.81 -1.26 -4.93 118.95 128.51 2wby s ARG 460 Ca 0.64 -2.50 0.12 0.00 -1.72 0.00 0.00 55.73 52.27 2wby s ARG 460 Cb -0.34 -2.62 0.92 0.00 -0.45 0.00 0.00 34.95 32.47 2wby s ARG 460 CO 0.28 -1.23 1.84 -1.35 -0.68 0.00 0.00 175.30 174.16 2wby h PRO 461 N 6.11 0.56 -0.15 3.54 0.11 -1.99 -1.22 132.00 138.96 2wby h PRO 461 Ca 0.08 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.98 2wby h PRO 461 Cb 0.87 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 2wby h PRO 461 CO 0.56 0.37 -0.61 0.38 -0.21 0.00 0.00 178.00 178.49 2wby h ASP 462 N 0.58 0.59 -0.28 -2.05 -0.00 -1.99 -0.44 116.42 112.83 2wby h ASP 462 Ca 0.49 -0.34 -0.10 0.00 -0.00 0.00 0.00 57.03 57.08 2wby h ASP 462 Cb 0.96 -0.17 -0.02 0.00 -0.00 0.00 0.00 39.33 40.11 2wby h ASP 462 CO -0.23 1.06 -0.17 -0.07 -0.00 0.00 0.00 179.24 179.83 2wby h LEU 463 N 0.38 0.72 0.14 0.15 3.38 -1.66 -0.20 115.31 118.23 2wby h LEU 463 Ca -0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2wby h LEU 463 Cb 1.17 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2wby h LEU 463 CO 0.11 0.89 -0.07 0.40 0.09 0.00 0.00 178.44 179.87 2wby h ILE 464 N 0.64 0.88 -0.55 1.22 2.04 -1.13 -1.13 117.51 119.48 2wby h ILE 464 Ca 0.10 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 2wby h ILE 464 Cb 0.65 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 2wby h ILE 464 CO 0.05 0.02 0.33 -0.33 0.00 0.00 0.00 178.15 178.21 2wby h GLU 465 N -0.21 0.74 -0.72 2.37 5.08 -0.89 0.31 114.58 121.26 2wby h GLU 465 Ca -0.02 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 2wby h GLU 465 Cb 0.17 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2wby h GLU 465 CO 0.03 0.52 0.21 1.98 -1.00 0.00 0.00 179.01 180.75 2wby h MET 466 N 0.76 1.12 -0.18 2.33 4.05 -0.54 -1.36 114.93 121.11 2wby h MET 466 Ca 0.20 -0.24 -0.07 0.00 -0.28 0.00 0.00 59.70 59.30 2wby h MET 466 Cb -0.02 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 30.61 2wby h MET 466 CO -0.04 0.96 -0.17 0.28 0.23 0.00 0.00 176.91 178.17 2wby h VAL 467 N 1.07 1.34 0.00 -5.77 2.07 -0.67 -3.11 116.25 111.18 2wby h VAL 467 Ca 0.23 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 2wby h VAL 467 Cb 0.32 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 2wby h VAL 467 CO -0.00 0.40 -0.05 0.25 0.02 0.00 0.00 177.57 178.18 2wby h LEU 468 N 0.08 0.00 -0.48 2.57 5.85 -0.68 0.98 115.31 123.62 2wby h LEU 468 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2wby h LEU 468 Cb 0.70 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2wby h LEU 468 CO 0.04 0.05 0.00 -0.78 -0.34 0.00 0.00 178.44 177.41 2wby h ASP 469 N 0.00 0.00 1.58 1.25 3.58 -1.19 -2.30 116.42 119.33 2wby h ASP 469 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2wby h ASP 469 Cb 0.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.18 2wby h ASP 469 CO 0.01 0.00 0.00 0.11 -2.88 0.00 0.00 179.24 176.48 2wby h LYS 470 N 0.00 0.00 -3.09 0.28 1.79 -0.74 -3.40 116.57 111.42 2wby h LYS 470 Ca 0.00 0.00 -0.76 0.00 -2.18 0.00 0.00 60.65 57.71 2wby h LYS 470 Cb 0.83 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.31 2wby h LYS 470 CO 0.00 0.00 1.92 1.28 -1.08 0.00 0.00 179.45 181.57 2wby n LEU 471 N -2.62 7.08 -4.29 2.94 4.77 -0.87 -4.75 117.00 119.27 2wby n LEU 471 Ca 0.04 -4.84 -0.16 0.00 -0.03 0.00 0.00 56.01 51.02 2wby n LEU 471 Cb 0.44 -1.40 -0.10 0.00 -2.33 0.00 0.00 43.42 40.03 2wby n LEU 471 CO 0.31 1.66 -0.43 -0.13 -1.33 0.00 0.00 177.39 177.47 2wby s ARG 472 N -0.77 1.16 0.26 3.23 0.52 -1.26 -5.05 118.95 117.04 2wby s ARG 472 Ca 0.42 -1.47 -0.01 0.00 -0.52 0.00 0.00 55.73 54.16 2wby s ARG 472 Cb 0.12 -0.87 0.56 0.00 0.52 0.00 0.00 34.95 35.28 2wby s ARG 472 CO -0.02 0.14 1.73 -1.35 0.02 0.00 0.00 175.30 175.82 2wby h PRO 473 N 2.83 0.48 0.00 3.54 0.11 -1.91 0.17 132.00 137.22 2wby h PRO 473 Ca -0.38 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2wby h PRO 473 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2wby h PRO 473 CO 0.61 0.32 0.00 1.05 -0.21 0.00 0.00 178.00 179.76 2wby h GLU 474 N 0.49 0.00 -1.06 1.05 9.09 -1.96 -2.56 114.58 119.64 2wby h GLU 474 Ca 0.47 0.00 -0.57 0.00 0.05 0.00 0.00 59.36 59.31 2wby h GLU 474 Cb 0.76 0.00 -0.42 0.00 -1.65 0.00 0.00 28.75 27.43 2wby h GLU 474 CO -0.43 0.00 -0.74 0.27 0.05 0.00 0.00 179.01 178.16 2wby n ASN 475 N -2.37 4.92 -4.82 3.06 6.94 0.59 -4.38 115.26 119.20 2wby n ASN 475 Ca -0.00 -3.74 -0.31 0.00 -0.02 0.00 0.00 54.58 50.50 2wby n ASN 475 Cb 0.12 -0.40 -0.06 0.00 -2.36 0.00 0.00 39.78 37.08 2wby n ASN 475 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2wby s VAL 476 N -4.97 4.83 -0.01 3.53 0.11 -0.96 -4.11 120.40 118.82 2wby s VAL 476 Ca 0.50 -0.54 0.05 0.00 -2.93 0.00 0.00 61.98 59.05 2wby s VAL 476 Cb 0.41 -3.29 -0.01 0.00 -1.53 0.00 0.00 36.38 31.95 2wby s VAL 476 CO -0.05 0.21 -0.15 -0.13 -3.33 0.00 0.00 175.10 171.64 2wby s ARG 477 N -2.19 1.27 -0.05 1.54 0.52 0.33 0.10 118.95 120.47 2wby s ARG 477 Ca 0.28 -0.55 -0.01 0.00 -0.52 0.00 0.00 55.73 54.93 2wby s ARG 477 Cb -0.12 -1.22 0.03 0.00 0.52 0.00 0.00 34.95 34.15 2wby s ARG 477 CO 0.21 0.33 0.01 0.08 0.02 0.00 0.00 175.30 175.95 2wby s VAL 478 N -0.34 0.20 -0.03 3.52 1.01 -0.46 -0.46 120.40 123.84 2wby s VAL 478 Ca 0.05 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.27 2wby s VAL 478 Cb -0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 2wby s VAL 478 CO -0.00 0.20 -0.19 0.00 0.00 0.00 0.00 175.10 175.11 2wby s ALA 479 N 1.70 1.61 -0.11 5.51 0.00 -0.28 -0.28 121.76 129.91 2wby s ALA 479 Ca 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.21 2wby s ALA 479 Cb -0.13 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.53 2wby s ALA 479 CO -0.03 0.34 -0.21 0.42 0.00 0.00 0.00 175.76 176.28 2wby s ILE 480 N -0.20 1.89 -0.15 0.00 1.01 0.49 -0.38 121.20 123.86 2wby s ILE 480 Ca 0.01 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.77 2wby s ILE 480 Cb -0.10 -1.66 -0.00 0.00 0.01 0.00 0.00 42.46 40.71 2wby s ILE 480 CO 0.01 0.52 -0.17 0.68 0.00 0.00 0.00 174.94 175.98 2wby s VAL 481 N 0.59 2.54 -0.27 2.92 -7.23 0.11 -0.35 120.40 118.71 2wby s VAL 481 Ca -0.14 -0.82 -0.24 0.00 -1.81 0.00 0.00 61.98 58.98 2wby s VAL 481 Cb -0.17 -2.06 0.09 0.00 0.56 0.00 0.00 36.38 34.80 2wby s VAL 481 CO 0.04 0.52 0.80 -0.55 -0.31 0.00 0.00 175.10 175.60 2wby s SER 482 N 0.76 -0.70 0.63 4.85 0.15 -0.39 -1.34 113.70 117.67 2wby s SER 482 Ca -0.07 1.31 0.34 0.00 0.70 0.00 0.00 55.95 58.23 2wby s SER 482 Cb -0.16 1.32 1.90 0.00 -1.71 0.00 0.00 66.02 67.37 2wby s SER 482 CO 0.00 -0.22 2.15 0.11 1.20 0.00 0.00 173.24 176.48 2wby h LYS 483 N 5.11 0.00 0.00 5.44 1.79 -1.84 -1.95 116.57 125.12 2wby h LYS 483 Ca -0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 2wby h LYS 483 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2wby h LYS 483 CO 0.08 0.00 0.00 -1.13 -1.08 0.00 0.00 179.45 177.32 2wby n SER 484 N -3.36 0.00 -0.70 0.86 3.41 -1.26 -1.39 113.62 111.18 2wby n SER 484 Ca -0.01 -0.50 0.10 0.00 -0.26 0.00 0.00 58.87 58.20 2wby n SER 484 Cb 0.25 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.26 2wby n SER 484 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2wby n PHE 485 N -0.97 0.00 -1.64 7.33 0.99 -0.73 -4.91 117.46 117.53 2wby n PHE 485 Ca 0.11 0.00 -0.50 0.00 -0.00 0.00 0.00 57.45 57.06 2wby n PHE 485 Cb 0.05 0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 38.48 2wby n PHE 485 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 2wby n GLU 486 N 0.79 1.61 -1.00 -1.08 4.07 -0.49 -0.04 120.64 124.51 2wby n GLU 486 Ca 0.11 0.58 -0.00 0.00 -0.06 0.00 0.00 57.16 57.79 2wby n GLU 486 Cb 0.48 -2.30 -0.00 0.00 -0.06 0.00 0.00 31.44 29.56 2wby n GLU 486 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wby n GLY 487 N 3.21 0.33 0.09 8.31 0.00 -1.26 -4.85 105.19 111.01 2wby n GLY 487 Ca 0.19 -0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.25 2wby n GLY 487 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wby n LYS 488 N -1.59 1.59 -4.06 1.61 5.02 0.94 -5.05 118.16 116.63 2wby n LYS 488 Ca -0.00 -1.77 -0.23 0.00 -2.02 0.00 0.00 58.31 54.29 2wby n LYS 488 Cb 0.18 -1.09 -0.06 0.00 -0.02 0.00 0.00 35.03 34.04 2wby n LYS 488 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wby s THR 489 N -1.53 3.31 0.00 -0.18 -4.23 -1.24 -4.89 115.64 106.87 2wby s THR 489 Ca 0.13 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 2wby s THR 489 Cb 0.11 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.91 2wby s THR 489 CO 0.01 -0.22 0.31 -0.90 -0.54 0.00 0.00 174.62 173.28 2wby n ASP 490 N -1.17 0.00 -4.39 3.99 3.85 -1.11 -4.90 116.55 112.82 2wby n ASP 490 Ca -0.04 -1.00 -0.20 0.00 -0.71 0.00 0.00 54.79 52.85 2wby n ASP 490 Cb 0.60 0.00 -0.10 0.00 -1.35 0.00 0.00 41.12 40.27 2wby n ASP 490 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 2wby s ARG 491 N 0.00 1.44 -0.21 0.11 0.52 0.13 -5.01 118.95 115.94 2wby s ARG 491 Ca 0.00 -1.68 -0.05 0.00 -0.52 0.00 0.00 55.73 53.48 2wby s ARG 491 Cb 0.00 -1.17 0.10 0.00 0.52 0.00 0.00 34.95 34.40 2wby s ARG 491 CO 0.00 0.13 0.38 -0.08 0.02 0.00 0.00 175.30 175.75 2wby s THR 492 N -2.96 -0.59 0.17 0.02 -1.32 -1.26 -1.94 115.64 107.75 2wby s THR 492 Ca 0.26 0.09 -0.31 0.00 -1.21 0.00 0.00 61.69 60.52 2wby s THR 492 Cb 0.01 -0.69 -0.10 0.00 -1.51 0.00 0.00 72.50 70.21 2wby s THR 492 CO 0.09 0.00 1.50 -0.70 -2.21 0.00 0.00 174.62 173.30 2wby s GLU 493 N 2.56 4.25 0.19 7.08 -6.30 -0.36 -4.86 118.70 121.26 2wby s GLU 493 Ca 0.04 2.28 -0.07 0.00 -2.50 0.00 0.00 54.97 54.72 2wby s GLU 493 Cb -0.13 -3.17 0.12 0.00 0.00 0.00 0.00 34.13 30.95 2wby s GLU 493 CO -0.13 -0.53 1.61 1.05 0.02 0.00 0.00 175.26 177.28 2wby h GLU 494 N 6.42 0.90 0.05 4.30 4.11 -1.95 0.22 114.58 128.63 2wby h GLU 494 Ca -0.43 -0.35 -0.25 0.00 0.07 0.00 0.00 59.36 58.40 2wby h GLU 494 Cb 1.21 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.42 2wby h GLU 494 CO 0.87 1.00 -1.05 -1.49 0.07 0.00 0.00 179.01 178.41 2wby h TRP 495 N 0.79 0.63 0.00 2.06 4.06 -1.99 -3.36 115.95 118.14 2wby h TRP 495 Ca 0.11 -0.38 0.00 0.00 2.06 0.00 0.00 58.89 60.69 2wby h TRP 495 Cb 0.71 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.81 2wby h TRP 495 CO 0.04 1.22 -1.30 0.66 -3.56 0.00 0.00 178.44 175.51 2wby n TYR 496 N -3.70 0.00 -0.79 0.49 4.02 -1.23 -5.01 117.16 110.93 2wby n TYR 496 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 2wby n TYR 496 Cb 0.90 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 40.01 2wby n TYR 496 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wby n GLY 497 N 1.51 0.71 3.64 2.72 0.00 0.77 -4.91 105.19 109.64 2wby n GLY 497 Ca -0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.54 2wby n GLY 497 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wby n THR 498 N -2.49 0.20 -3.35 2.61 -1.04 -1.23 -4.58 114.28 104.40 2wby n THR 498 Ca 0.00 -0.05 -0.38 0.00 -2.04 0.00 0.00 64.05 61.58 2wby n THR 498 Cb 0.00 -1.31 -0.06 0.00 -1.82 0.00 0.00 70.33 67.14 2wby n THR 498 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2wby s GLN 499 N 0.52 4.18 0.07 -2.82 -1.52 -1.26 -1.23 119.66 117.60 2wby s GLN 499 Ca 0.78 0.54 -0.28 0.00 -1.95 0.00 0.00 55.36 54.46 2wby s GLN 499 Cb -0.75 -3.31 0.09 0.00 -0.22 0.00 0.00 33.01 28.81 2wby s GLN 499 CO 0.43 0.46 1.07 1.52 -0.25 0.00 0.00 175.29 178.51 2wby s TYR 500 N -0.39 -0.12 0.06 0.91 1.13 -0.82 -2.03 117.35 116.09 2wby s TYR 500 Ca 0.27 -0.09 0.02 0.00 -1.41 0.00 0.00 57.07 55.86 2wby s TYR 500 Cb -0.17 0.60 -0.03 0.00 -1.10 0.00 0.00 41.96 41.26 2wby s TYR 500 CO 0.14 -0.60 -0.08 0.21 -2.51 0.00 0.00 175.55 172.71 2wby s LYS 501 N -2.96 0.66 -0.03 -3.49 2.20 -0.27 -0.69 119.74 115.16 2wby s LYS 501 Ca 0.12 -0.97 0.04 0.00 -0.36 0.00 0.00 55.97 54.81 2wby s LYS 501 Cb 0.01 -0.34 -0.01 0.00 -1.51 0.00 0.00 37.83 35.98 2wby s LYS 501 CO -0.01 0.05 -0.16 -1.14 -0.36 0.00 0.00 175.35 173.72 2wby s GLN 502 N -2.31 1.53 0.05 4.03 0.74 -1.26 -1.44 119.66 121.00 2wby s GLN 502 Ca -0.02 -0.58 -0.03 0.00 0.05 0.00 0.00 55.36 54.78 2wby s GLN 502 Cb -0.05 -1.39 -0.03 0.00 1.10 0.00 0.00 33.01 32.64 2wby s GLN 502 CO -0.01 0.28 0.03 -1.21 -0.55 0.00 0.00 175.29 173.83 2wby s GLU 503 N -0.12 0.62 0.32 1.67 2.02 -0.26 -5.00 118.70 117.95 2wby s GLU 503 Ca 0.00 -1.03 -0.27 0.00 0.02 0.00 0.00 54.97 53.69 2wby s GLU 503 Cb -0.09 0.23 -0.09 0.00 0.10 0.00 0.00 34.13 34.27 2wby s GLU 503 CO 0.01 -0.14 1.06 0.00 0.02 0.00 0.00 175.26 176.21 2wby s ALA 504 N -3.45 3.28 0.02 5.21 0.00 -1.26 -1.13 121.76 124.44 2wby s ALA 504 Ca 0.02 0.80 -0.30 0.00 0.00 0.00 0.00 51.96 52.48 2wby s ALA 504 Cb 0.04 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 2wby s ALA 504 CO -0.08 -0.14 1.10 0.42 0.00 0.00 0.00 175.76 177.06 2wby s ILE 505 N -1.35 4.42 0.49 0.00 1.01 0.10 -4.79 121.20 121.09 2wby s ILE 505 Ca 0.49 1.74 -0.24 0.00 0.00 0.00 0.00 60.65 62.64 2wby s ILE 505 Cb -0.28 -4.11 -0.07 0.00 0.01 0.00 0.00 42.46 38.01 2wby s ILE 505 CO 0.35 0.12 1.39 -2.65 0.00 0.00 0.00 174.94 174.16 2wby n PRO 506 N 4.02 2.00 -0.10 2.79 -0.02 -1.26 -4.82 135.00 137.62 2wby n PRO 506 Ca 0.08 0.72 0.14 0.00 -2.02 0.00 0.00 63.50 62.42 2wby n PRO 506 Cb 0.48 -2.60 0.52 0.00 -0.02 0.00 0.00 33.50 31.88 2wby n PRO 506 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2wby h ASP 507 N 1.92 0.35 0.93 2.55 3.32 -1.99 0.19 116.42 123.69 2wby h ASP 507 Ca -0.51 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.51 2wby h ASP 507 Cb 1.29 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 2wby h ASP 507 CO 0.59 0.20 -0.22 -0.33 -1.72 0.00 0.00 179.24 177.76 2wby h GLU 508 N 0.38 0.00 0.23 3.56 4.39 -1.99 0.16 114.58 121.30 2wby h GLU 508 Ca 0.31 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.68 2wby h GLU 508 Cb 0.68 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.36 2wby h GLU 508 CO -0.08 0.22 -1.47 0.28 -1.16 0.00 0.00 179.01 176.80 2wby h VAL 509 N 0.00 1.28 -0.42 3.13 2.07 -1.01 -2.64 116.25 118.67 2wby h VAL 509 Ca -0.00 -2.75 0.01 0.00 0.82 0.00 0.00 66.70 64.77 2wby h VAL 509 Cb 0.75 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 33.50 2wby h VAL 509 CO 0.03 0.83 0.28 0.40 0.02 0.00 0.00 177.57 179.13 2wby h ILE 510 N 0.13 1.10 -0.48 4.57 1.08 -0.77 -1.93 117.51 121.21 2wby h ILE 510 Ca -0.25 -0.19 -0.07 0.00 -0.39 0.00 0.00 64.86 63.96 2wby h ILE 510 Cb 2.13 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 36.35 2wby h ILE 510 CO 0.25 0.10 0.03 0.11 -0.69 0.00 0.00 178.15 177.96 2wby h LYS 511 N 0.57 0.78 -0.55 2.37 1.57 -0.73 0.04 116.57 120.63 2wby h LYS 511 Ca 0.16 -0.20 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 2wby h LYS 511 Cb -0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 2wby h LYS 511 CO -0.04 0.77 -0.03 0.87 -0.57 0.00 0.00 179.45 180.45 2wby h LYS 512 N 0.74 0.99 -0.77 3.15 1.57 -1.23 -1.16 116.57 119.86 2wby h LYS 512 Ca 0.15 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 2wby h LYS 512 Cb 0.41 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 2wby h LYS 512 CO 0.01 1.01 0.42 -1.49 -0.57 0.00 0.00 179.45 178.83 2wby h TRP 513 N 0.87 1.06 0.00 -1.35 6.55 -0.97 -2.41 115.95 119.70 2wby h TRP 513 Ca 0.15 -0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.95 2wby h TRP 513 Cb 0.58 -0.34 -0.00 0.00 -0.86 0.00 0.00 29.16 28.54 2wby h TRP 513 CO 0.04 0.75 -0.07 1.96 -1.05 0.00 0.00 178.44 180.07 2wby h GLN 514 N 1.07 0.00 -0.39 0.49 4.20 -0.61 -1.99 115.11 117.87 2wby h GLN 514 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 2wby h GLN 514 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2wby h GLN 514 CO -0.04 0.07 0.00 0.09 -0.67 0.00 0.00 178.83 178.28 2wby n ASN 515 N -3.92 2.11 -4.68 1.46 3.02 -0.47 -4.96 115.26 107.82 2wby n ASN 515 Ca -0.03 -2.00 -0.59 0.00 -0.03 0.00 0.00 54.58 51.93 2wby n ASN 515 Cb 0.16 -0.26 -0.08 0.00 -0.61 0.00 0.00 39.78 38.99 2wby n ASN 515 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wby n ALA 516 N 0.66 -0.93 -2.45 5.41 0.00 -0.75 -4.93 120.51 117.51 2wby n ALA 516 Ca 0.13 0.46 -0.12 0.00 0.00 0.00 0.00 53.44 53.91 2wby n ALA 516 Cb 0.33 -2.08 0.06 0.00 0.00 0.00 0.00 19.45 17.76 2wby n ALA 516 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2wby n ASP 517 N 4.22 0.70 -4.74 0.00 2.03 -1.26 -4.85 116.55 112.65 2wby n ASP 517 Ca 0.26 -1.59 -0.40 0.00 0.52 0.00 0.00 54.79 53.58 2wby n ASP 517 Cb 0.09 -0.33 -0.05 0.00 -0.72 0.00 0.00 41.12 40.10 2wby n ASP 517 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2wby s LEU 518 N 0.00 4.58 -0.21 -2.67 1.43 -1.26 -4.65 118.68 115.91 2wby s LEU 518 Ca 0.34 1.94 -0.01 0.00 -1.03 0.00 0.00 54.13 55.37 2wby s LEU 518 Cb -0.02 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.61 2wby s LEU 518 CO 0.22 0.04 -0.12 0.21 0.23 0.00 0.00 176.35 176.93 2wby s ASN 519 N -0.72 3.80 0.00 2.29 3.84 -1.26 -4.99 114.94 117.90 2wby s ASN 519 Ca 0.44 -0.69 0.06 0.00 0.21 0.00 0.00 52.86 52.88 2wby s ASN 519 Cb -0.26 -1.59 0.38 0.00 -0.55 0.00 0.00 41.25 39.23 2wby s ASN 519 CO 0.32 -0.05 0.78 0.61 -2.79 0.00 0.00 177.10 175.97 2wby n GLY 520 N 4.66 -0.28 0.04 1.21 0.00 -1.26 -1.06 105.19 108.50 2wby n GLY 520 Ca -0.19 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 45.92 2wby n GLY 520 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wby n LYS 521 N -0.85 0.15 -4.04 1.61 4.76 -1.26 -4.82 118.16 113.71 2wby n LYS 521 Ca 0.05 0.08 -0.35 0.00 -2.87 0.00 0.00 58.31 55.22 2wby n LYS 521 Cb 0.02 -1.63 -0.11 0.00 -1.84 0.00 0.00 35.03 31.47 2wby n LYS 521 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2wby s PHE 522 N -3.07 3.14 0.03 2.13 2.99 -0.23 -4.50 117.98 118.47 2wby s PHE 522 Ca 0.10 -0.17 0.04 0.00 0.00 0.00 0.00 56.93 56.90 2wby s PHE 522 Cb 0.15 -2.09 -0.02 0.00 0.00 0.00 0.00 43.02 41.06 2wby s PHE 522 CO 0.64 -0.05 -0.11 0.15 -0.00 0.00 0.00 175.22 175.86 2wby s LYS 523 N 0.73 0.74 0.84 0.44 3.01 -0.83 -4.94 119.74 119.74 2wby s LYS 523 Ca 0.02 -0.66 -0.11 0.00 -1.01 0.00 0.00 55.97 54.21 2wby s LYS 523 Cb -0.14 -0.68 0.10 0.00 -1.01 0.00 0.00 37.83 36.10 2wby s LYS 523 CO 0.02 0.16 1.15 -0.51 0.51 0.00 0.00 175.35 176.68 2wby s LEU 524 N -1.08 3.00 0.63 3.17 1.02 -1.26 -4.28 118.68 119.89 2wby s LEU 524 Ca -0.01 2.16 -0.17 0.00 0.02 0.00 0.00 54.13 56.12 2wby s LEU 524 Cb -0.07 -4.56 -0.01 0.00 0.02 0.00 0.00 46.19 41.56 2wby s LEU 524 CO 0.01 -2.69 1.19 -2.84 0.02 0.00 0.00 176.35 172.04 2wby s PRO 525 N -4.52 2.76 0.71 1.29 0.02 -1.26 -4.93 135.00 129.08 2wby s PRO 525 Ca 0.67 1.73 -0.11 0.00 0.02 0.00 0.00 61.00 63.32 2wby s PRO 525 Cb -0.23 -1.91 0.02 0.00 0.02 0.00 0.00 34.50 32.40 2wby s PRO 525 CO 0.54 -1.35 1.09 0.95 -0.33 0.00 0.00 177.00 177.91 2wby s THR 526 N -1.81 3.25 0.34 0.99 -4.23 -1.26 -5.01 115.64 107.91 2wby s THR 526 Ca 0.75 0.36 -0.27 0.00 -1.18 0.00 0.00 61.69 61.35 2wby s THR 526 Cb -0.28 -3.39 -0.13 0.00 1.34 0.00 0.00 72.50 70.04 2wby s THR 526 CO 0.37 -0.51 1.09 1.17 -0.54 0.00 0.00 174.62 176.20 2wby n LYS 527 N -3.02 1.59 -2.77 3.99 3.00 -1.26 -4.87 118.16 114.82 2wby n LYS 527 Ca 0.07 0.56 -0.43 0.00 -0.00 0.00 0.00 58.31 58.51 2wby n LYS 527 Cb 0.58 -2.04 -0.03 0.00 0.00 0.00 0.00 35.03 33.53 2wby n LYS 527 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2wby s ASN 528 N -0.53 6.71 0.00 3.14 3.84 -1.26 -4.87 114.94 121.97 2wby s ASN 528 Ca 0.59 0.65 0.29 0.00 0.21 0.00 0.00 52.86 54.59 2wby s ASN 528 Cb -0.62 -2.48 1.17 0.00 -0.55 0.00 0.00 41.25 38.77 2wby s ASN 528 CO 0.60 -0.88 1.85 -0.62 -2.79 0.00 0.00 177.10 175.26 2wby n GLU 529 N 6.84 0.26 -0.01 0.43 -0.58 -1.26 -3.59 120.64 122.73 2wby n GLU 529 Ca 0.08 -0.06 0.13 0.00 -0.42 0.00 0.00 57.16 56.90 2wby n GLU 529 Cb 0.48 -1.50 0.43 0.00 -0.57 0.00 0.00 31.44 30.28 2wby n GLU 529 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2wby n PHE 530 N -1.32 0.03 -1.67 -0.32 3.01 -1.26 -4.90 117.46 111.03 2wby n PHE 530 Ca 0.10 -0.01 -0.48 0.00 1.01 0.00 0.00 57.45 58.06 2wby n PHE 530 Cb 0.30 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.73 2wby n PHE 530 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2wby n ILE 531 N 0.41 0.23 -2.39 4.37 5.41 -1.24 -4.86 119.36 121.29 2wby n ILE 531 Ca 0.18 -0.04 -0.37 0.00 1.00 0.00 0.00 62.75 63.52 2wby n ILE 531 Cb 0.40 -1.57 -0.03 0.00 -0.71 0.00 0.00 39.64 37.74 2wby n ILE 531 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2wby s PRO 532 N 2.17 4.02 0.00 0.38 0.04 -1.26 -4.93 135.00 135.42 2wby s PRO 532 Ca 0.86 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.57 2wby s PRO 532 Cb -0.74 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.26 2wby s PRO 532 CO 0.45 -0.30 0.00 0.25 0.04 0.00 0.00 177.00 177.44 2wby n THR 533 N -0.13 0.00 -3.56 1.26 -2.24 -1.26 -5.00 114.28 103.35 2wby n THR 533 Ca 0.05 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.43 2wby n THR 533 Cb 0.48 0.07 -0.11 0.00 -2.10 0.00 0.00 70.33 68.67 2wby n THR 533 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2wby s ASN 534 N -1.57 5.90 -0.09 3.42 3.04 -1.26 -4.88 114.94 119.51 2wby s ASN 534 Ca 0.00 -0.57 0.13 0.00 0.04 0.00 0.00 52.86 52.46 2wby s ASN 534 Cb 0.00 -2.10 0.19 0.00 -1.54 0.00 0.00 41.25 37.81 2wby s ASN 534 CO 0.00 -0.27 1.09 0.49 -3.04 0.00 0.00 177.10 175.37 2wby n PHE 535 N 5.07 0.00 -1.68 0.43 3.01 -1.26 -4.44 117.46 118.59 2wby n PHE 535 Ca -0.13 -0.79 -0.46 0.00 1.01 0.00 0.00 57.45 57.09 2wby n PHE 535 Cb 0.49 -0.11 -0.04 0.00 -0.01 0.00 0.00 39.48 39.80 2wby n PHE 535 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2wby n GLU 536 N -1.08 2.36 -2.94 -1.08 2.13 -1.26 -4.69 120.64 114.08 2wby n GLU 536 Ca 0.11 0.86 -0.42 0.00 0.66 0.00 0.00 57.16 58.36 2wby n GLU 536 Cb 0.54 -2.69 -0.05 0.00 0.27 0.00 0.00 31.44 29.51 2wby n GLU 536 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2wby s ILE 537 N 2.48 4.71 0.38 6.31 1.09 -1.26 -4.91 121.20 130.00 2wby s ILE 537 Ca 0.84 0.90 -0.27 0.00 -1.10 0.00 0.00 60.65 61.02 2wby s ILE 537 Cb -0.62 -4.23 -0.10 0.00 -1.06 0.00 0.00 42.46 36.45 2wby s ILE 537 CO 0.42 -0.46 1.35 -0.76 -0.10 0.00 0.00 174.94 175.39 2wby s LEU 538 N 3.15 4.30 0.56 2.97 1.43 -1.26 -4.96 118.68 124.88 2wby s LEU 538 Ca 0.32 2.76 -0.21 0.00 -1.03 0.00 0.00 54.13 55.97 2wby s LEU 538 Cb -0.13 -3.77 -0.05 0.00 0.03 0.00 0.00 46.19 42.28 2wby s LEU 538 CO 0.17 -0.76 1.36 -2.65 0.23 0.00 0.00 176.35 174.70 2wby n PRO 539 N 0.41 1.67 -1.73 1.29 -0.02 -1.26 -4.90 135.00 130.46 2wby n PRO 539 Ca 0.02 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 2wby n PRO 539 Cb 0.42 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.28 2wby n PRO 539 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2wby s LEU 540 N -3.56 4.41 0.55 2.45 2.96 -1.26 -4.94 118.68 119.29 2wby s LEU 540 Ca 0.73 2.68 -0.21 0.00 -0.22 0.00 0.00 54.13 57.11 2wby s LEU 540 Cb -0.41 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.68 2wby s LEU 540 CO 0.48 -1.01 1.29 -1.61 -1.32 0.00 0.00 176.35 174.19 2wby s GLU 541 N 3.46 3.14 0.24 1.98 2.02 -1.26 -4.93 118.70 123.34 2wby s GLU 541 Ca 0.83 2.07 -0.04 0.00 0.02 0.00 0.00 54.97 57.85 2wby s GLU 541 Cb -0.44 -2.17 0.42 0.00 0.10 0.00 0.00 34.13 32.04 2wby s GLU 541 CO 0.38 -1.14 1.77 1.57 0.02 0.00 0.00 175.26 177.86 2wby h LYS 542 N 1.34 0.61 -0.66 1.61 5.09 -2.06 -1.68 116.57 120.82 2wby h LYS 542 Ca -0.51 -0.04 0.00 0.00 0.09 0.00 0.00 60.65 60.20 2wby h LYS 542 Cb 1.30 -0.14 0.00 0.00 0.10 0.00 0.00 32.23 33.49 2wby h LYS 542 CO 0.57 0.40 0.00 -0.85 -2.09 0.00 0.00 179.45 177.48 2wby n GLU 543 N -4.86 1.71 -1.99 0.07 0.28 -1.26 -4.97 120.64 109.62 2wby n GLU 543 Ca 0.14 -0.67 -0.36 0.00 -0.16 0.00 0.00 57.16 56.11 2wby n GLU 543 Cb 0.34 -1.49 0.04 0.00 1.43 0.00 0.00 31.44 31.76 2wby n GLU 543 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2wby s ALA 544 N -1.52 2.53 0.15 -1.84 0.00 -0.63 -5.04 121.76 115.40 2wby s ALA 544 Ca 0.12 0.98 0.10 0.00 0.00 0.00 0.00 51.96 53.16 2wby s ALA 544 Cb 0.08 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 2wby s ALA 544 CO 0.05 -1.18 -0.23 0.95 0.00 0.00 0.00 175.76 175.34 2wby s THR 545 N -1.64 2.10 0.26 0.00 -4.23 -1.26 -5.05 115.64 105.82 2wby s THR 545 Ca 0.77 -1.83 0.12 0.00 -1.18 0.00 0.00 61.69 59.57 2wby s THR 545 Cb -0.30 -1.92 0.01 0.00 1.34 0.00 0.00 72.50 71.63 2wby s THR 545 CO 0.34 -0.08 1.65 -0.65 -0.54 0.00 0.00 174.62 175.34 2wby h PRO 546 N 3.60 0.00 -5.79 3.99 0.11 -1.96 -3.44 132.00 128.51 2wby h PRO 546 Ca -0.47 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.04 2wby h PRO 546 Cb 1.19 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.19 2wby h PRO 546 CO 0.44 0.56 -0.57 0.71 -0.21 0.00 0.00 178.00 178.93 2wby s TYR 547 N -3.65 2.54 0.27 0.65 2.02 -1.26 -5.04 117.35 112.89 2wby s TYR 547 Ca -0.01 -0.61 -0.29 0.00 -0.37 0.00 0.00 57.07 55.78 2wby s TYR 547 Cb 0.12 -1.79 -0.10 0.00 -0.40 0.00 0.00 41.96 39.80 2wby s TYR 547 CO 0.75 0.37 1.27 -2.14 -1.57 0.00 0.00 175.55 174.23 2wby s PRO 548 N -3.77 4.42 0.08 -1.71 0.02 -1.26 -4.83 135.00 127.94 2wby s PRO 548 Ca 0.37 2.08 0.01 0.00 0.02 0.00 0.00 61.00 63.47 2wby s PRO 548 Cb 0.07 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.40 2wby s PRO 548 CO 0.20 -0.15 0.23 0.00 -0.33 0.00 0.00 177.00 176.94 2wby s ALA 549 N -0.61 4.00 -0.57 -1.55 0.00 -0.16 -4.78 121.76 118.09 2wby s ALA 549 Ca 0.52 -0.89 -0.22 0.00 0.00 0.00 0.00 51.96 51.37 2wby s ALA 549 Cb -0.37 -1.81 0.06 0.00 0.00 0.00 0.00 23.12 20.99 2wby s ALA 549 CO 0.45 0.76 0.83 -1.17 0.00 0.00 0.00 175.76 176.63 2wby s LEU 550 N -2.68 4.54 0.00 0.00 2.96 -1.26 -0.28 118.68 121.97 2wby s LEU 550 Ca 0.35 -0.77 0.10 0.00 -0.22 0.00 0.00 54.13 53.59 2wby s LEU 550 Cb -0.13 -2.57 0.09 0.00 0.50 0.00 0.00 46.19 44.09 2wby s LEU 550 CO 0.28 -1.16 0.85 2.30 -1.32 0.00 0.00 176.35 177.29 2wby n ILE 551 N 5.90 0.09 -3.65 6.68 -5.35 0.05 -4.90 119.36 118.18 2wby n ILE 551 Ca -0.03 -0.54 -0.15 0.00 -0.27 0.00 0.00 62.75 61.76 2wby n ILE 551 Cb 0.46 1.14 -0.08 0.00 -1.74 0.00 0.00 39.64 39.42 2wby n ILE 551 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2wby s LYS 552 N -0.83 0.78 -0.49 6.28 2.20 -1.23 -4.99 119.74 121.45 2wby s LYS 552 Ca 0.12 0.62 0.06 0.00 -0.36 0.00 0.00 55.97 56.41 2wby s LYS 552 Cb 0.08 0.37 0.23 0.00 -1.51 0.00 0.00 37.83 37.00 2wby s LYS 552 CO 0.12 -0.15 0.83 -3.47 -0.36 0.00 0.00 175.35 172.32 2wby n ASP 553 N 2.22 -2.89 -3.14 1.43 4.64 -1.23 -0.90 116.55 116.67 2wby n ASP 553 Ca -0.16 -3.17 -0.10 0.00 -1.38 0.00 0.00 54.79 49.98 2wby n ASP 553 Cb 0.56 1.68 0.00 0.00 -1.04 0.00 0.00 41.12 42.33 2wby n ASP 553 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 2wby n THR 554 N 1.98 0.00 -0.12 5.18 -2.24 -0.15 -4.98 114.28 113.95 2wby n THR 554 Ca 0.12 -0.87 -0.12 0.00 -2.27 0.00 0.00 64.05 60.91 2wby n THR 554 Cb 0.61 -0.35 -0.00 0.00 -2.10 0.00 0.00 70.33 68.49 2wby n THR 554 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wby h ALA 555 N 0.69 0.64 -0.23 6.98 0.00 -1.99 -3.10 119.26 122.24 2wby h ALA 555 Ca -0.14 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 54.18 2wby h ALA 555 Cb 0.51 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2wby h ALA 555 CO 0.21 0.67 -0.49 1.98 0.00 0.00 0.00 179.25 181.63 2wby h MET 556 N 0.77 0.62 -2.07 0.00 1.85 -1.93 -3.41 114.93 110.75 2wby h MET 556 Ca 0.07 -0.36 -0.05 0.00 -0.61 0.00 0.00 59.70 58.76 2wby h MET 556 Cb 0.92 0.03 -0.21 0.00 0.43 0.00 0.00 31.60 32.76 2wby h MET 556 CO 0.09 0.97 0.09 -1.54 -0.40 0.00 0.00 176.91 176.12 2wby s SER 557 N -6.90 -0.73 -0.21 1.39 1.04 -1.17 -0.79 113.70 106.33 2wby s SER 557 Ca -0.08 1.39 -0.05 0.00 0.48 0.00 0.00 55.95 57.70 2wby s SER 557 Cb 0.11 1.41 -0.02 0.00 0.10 0.00 0.00 66.02 67.63 2wby s SER 557 CO 0.84 -0.24 -0.02 -0.75 0.98 0.00 0.00 173.24 174.06 2wby s LYS 558 N 0.42 3.49 -0.22 4.02 2.20 0.18 -0.98 119.74 128.86 2wby s LYS 558 Ca -0.00 -0.57 0.01 0.00 -0.36 0.00 0.00 55.97 55.04 2wby s LYS 558 Cb -0.05 -3.06 0.04 0.00 -1.51 0.00 0.00 37.83 33.25 2wby s LYS 558 CO 0.00 -0.11 -0.13 -1.17 -0.36 0.00 0.00 175.35 173.58 2wby s LEU 559 N 1.28 2.85 -0.14 5.43 2.96 -0.08 -1.38 118.68 129.60 2wby s LEU 559 Ca 0.04 -0.96 -0.06 0.00 -0.22 0.00 0.00 54.13 52.92 2wby s LEU 559 Cb -0.14 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 2wby s LEU 559 CO -0.00 -0.10 0.07 0.26 -1.32 0.00 0.00 176.35 175.26 2wby s TRP 560 N 1.23 3.32 -0.00 5.38 0.52 0.11 -0.77 118.94 128.73 2wby s TRP 560 Ca -0.01 0.23 -0.00 0.00 0.02 0.00 0.00 56.10 56.34 2wby s TRP 560 Cb -0.16 -1.97 0.00 0.00 -1.15 0.00 0.00 33.47 30.19 2wby s TRP 560 CO -0.08 0.40 0.01 0.12 0.02 0.00 0.00 176.95 177.41 2wby s PHE 561 N -0.33 -0.01 -0.14 -1.98 5.36 0.62 -1.17 117.98 120.33 2wby s PHE 561 Ca 0.09 0.03 -0.07 0.00 -0.96 0.00 0.00 56.93 56.01 2wby s PHE 561 Cb -0.12 -0.01 0.05 0.00 -0.34 0.00 0.00 43.02 42.61 2wby s PHE 561 CO 0.02 -0.01 0.34 0.21 -1.46 0.00 0.00 175.22 174.32 2wby s LYS 562 N 0.04 0.31 -0.07 10.12 2.20 -0.43 -0.99 119.74 130.93 2wby s LYS 562 Ca -0.00 0.68 -0.29 0.00 -0.36 0.00 0.00 55.97 56.00 2wby s LYS 562 Cb -0.01 -0.06 -0.02 0.00 -1.51 0.00 0.00 37.83 36.23 2wby s LYS 562 CO -0.00 -0.16 0.98 -1.14 -0.36 0.00 0.00 175.35 174.66 2wby s GLN 563 N 1.37 4.47 0.12 4.03 0.74 -1.26 -2.35 119.66 126.77 2wby s GLN 563 Ca -0.09 1.37 -0.35 0.00 0.05 0.00 0.00 55.36 56.33 2wby s GLN 563 Cb -0.09 -3.51 -0.16 0.00 1.10 0.00 0.00 33.01 30.35 2wby s GLN 563 CO -0.11 -0.21 1.41 -3.47 -0.55 0.00 0.00 175.29 172.37 2wby n ASP 564 N 4.57 2.14 -0.04 6.67 2.03 0.32 -4.82 116.55 127.42 2wby n ASP 564 Ca 0.07 1.11 0.01 0.00 0.52 0.00 0.00 54.79 56.50 2wby n ASP 564 Cb 0.50 -1.28 0.02 0.00 -0.72 0.00 0.00 41.12 39.64 2wby n ASP 564 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2wby n ASP 565 N 2.78 1.43 -0.04 1.67 5.75 -1.26 -4.82 116.55 122.06 2wby n ASP 565 Ca 0.18 -1.90 -0.07 0.00 -0.01 0.00 0.00 54.79 52.99 2wby n ASP 565 Cb 0.23 -0.07 -0.04 0.00 -1.03 0.00 0.00 41.12 40.21 2wby n ASP 565 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wby n LYS 566 N -0.47 0.20 -0.07 0.11 4.01 -1.26 -4.91 118.16 115.76 2wby n LYS 566 Ca 0.02 0.06 -0.05 0.00 -0.51 0.00 0.00 58.31 57.82 2wby n LYS 566 Cb 0.39 -1.07 -0.13 0.00 -0.51 0.00 0.00 35.03 33.71 2wby n LYS 566 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 2wby n PHE 567 N -2.91 0.00 -3.79 2.13 3.01 -1.26 -4.99 117.46 109.66 2wby n PHE 567 Ca -0.15 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.02 2wby n PHE 567 Cb 0.65 -0.74 0.02 0.00 -0.01 0.00 0.00 39.48 39.39 2wby n PHE 567 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2wby n PHE 568 N -2.53 -2.20 -4.05 1.38 3.01 -1.26 -4.99 117.46 106.82 2wby n PHE 568 Ca -0.23 0.82 -0.27 0.00 1.01 0.00 0.00 57.45 58.78 2wby n PHE 568 Cb 0.94 -3.84 -0.05 0.00 -0.01 0.00 0.00 39.48 36.52 2wby n PHE 568 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2wby s LEU 569 N -7.14 3.89 -1.40 4.37 1.43 -1.26 -4.97 118.68 113.60 2wby s LEU 569 Ca 0.61 -0.06 -0.15 0.00 -1.03 0.00 0.00 54.13 53.50 2wby s LEU 569 Cb -0.31 -2.50 0.04 0.00 0.03 0.00 0.00 46.19 43.45 2wby s LEU 569 CO 0.75 0.09 2.11 -0.81 0.23 0.00 0.00 176.35 178.73 2wby n PRO 570 N -0.20 2.85 -3.69 1.29 -0.04 -1.26 -4.63 135.00 129.32 2wby n PRO 570 Ca -0.08 -2.71 -0.12 0.00 -0.04 0.00 0.00 63.50 60.55 2wby n PRO 570 Cb 0.54 -3.32 -0.06 0.00 -0.04 0.00 0.00 33.50 30.61 2wby n PRO 570 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2wby s LYS 571 N 3.52 0.92 0.04 0.54 1.02 -1.26 -2.22 119.74 122.30 2wby s LYS 571 Ca 0.49 -0.49 -0.10 0.00 0.02 0.00 0.00 55.97 55.89 2wby s LYS 571 Cb 0.12 0.41 0.01 0.00 -0.52 0.00 0.00 37.83 37.84 2wby s LYS 571 CO -0.04 -0.32 0.22 0.00 -0.92 0.00 0.00 175.35 174.28 2wby s ALA 572 N -2.83 -0.43 -0.18 5.17 0.00 -0.57 -1.61 121.76 121.32 2wby s ALA 572 Ca -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 51.96 51.68 2wby s ALA 572 Cb -0.00 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 23.40 2wby s ALA 572 CO -0.05 -0.37 -0.09 -0.80 0.00 0.00 0.00 175.76 174.44 2wby s ASN 573 N -2.09 4.08 -0.28 0.00 0.01 0.12 -2.82 114.94 113.95 2wby s ASN 573 Ca -0.05 -0.39 0.01 0.00 -0.71 0.00 0.00 52.86 51.72 2wby s ASN 573 Cb -0.01 -1.67 0.06 0.00 0.41 0.00 0.00 41.25 40.05 2wby s ASN 573 CO -0.04 0.05 -0.05 -0.76 -1.51 0.00 0.00 177.10 174.79 2wby s LEU 574 N 1.03 3.73 -0.05 0.60 1.43 -0.06 -0.73 118.68 124.62 2wby s LEU 574 Ca -0.00 -1.41 0.06 0.00 -1.03 0.00 0.00 54.13 51.74 2wby s LEU 574 Cb -0.15 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 2wby s LEU 574 CO -0.01 -0.23 -0.23 0.20 0.23 0.00 0.00 176.35 176.30 2wby s ASN 575 N 1.16 3.24 -0.06 2.29 0.01 0.12 -1.59 114.94 120.11 2wby s ASN 575 Ca -0.06 -0.45 0.01 0.00 -0.71 0.00 0.00 52.86 51.64 2wby s ASN 575 Cb -0.20 -0.79 0.02 0.00 0.41 0.00 0.00 41.25 40.69 2wby s ASN 575 CO -0.04 0.27 -0.05 -0.36 -1.51 0.00 0.00 177.10 175.41 2wby s PHE 576 N -0.29 0.89 -0.24 2.20 0.40 0.47 0.49 117.98 121.90 2wby s PHE 576 Ca 0.00 -0.29 -0.07 0.00 -0.60 0.00 0.00 56.93 55.97 2wby s PHE 576 Cb -0.13 -0.78 -0.03 0.00 0.51 0.00 0.00 43.02 42.59 2wby s PHE 576 CO 0.02 -0.24 0.07 -2.00 0.70 0.00 0.00 175.22 173.77 2wby s GLU 577 N 1.06 3.70 -0.46 0.44 2.56 0.24 -1.73 118.70 124.51 2wby s GLU 577 Ca -0.09 -0.46 -0.15 0.00 0.00 0.00 0.00 54.97 54.28 2wby s GLU 577 Cb -0.14 -3.32 0.07 0.00 2.00 0.00 0.00 34.13 32.74 2wby s GLU 577 CO -0.01 -0.13 0.37 -0.06 -0.56 0.00 0.00 175.26 174.87 2wby s PHE 578 N 1.46 3.26 0.03 5.30 0.40 0.21 -0.68 117.98 127.96 2wby s PHE 578 Ca 0.06 -0.98 -0.28 0.00 -0.60 0.00 0.00 56.93 55.13 2wby s PHE 578 Cb -0.15 -3.09 -0.04 0.00 0.51 0.00 0.00 43.02 40.25 2wby s PHE 578 CO 0.04 -0.79 0.88 -0.06 0.70 0.00 0.00 175.22 175.99 2wby s PHE 579 N 1.62 3.71 -0.22 0.36 0.40 0.11 -1.28 117.98 122.68 2wby s PHE 579 Ca 0.04 1.61 -0.12 0.00 -0.60 0.00 0.00 56.93 57.86 2wby s PHE 579 Cb -0.24 -2.98 0.07 0.00 0.51 0.00 0.00 43.02 40.38 2wby s PHE 579 CO 0.06 0.14 0.54 0.45 0.70 0.00 0.00 175.22 177.11 2wby s SER 580 N 0.43 -0.71 0.40 1.36 0.15 -0.28 -2.82 113.70 112.22 2wby s SER 580 Ca 0.45 1.18 0.28 0.00 0.70 0.00 0.00 55.95 58.57 2wby s SER 580 Cb -0.21 1.09 1.25 0.00 -1.71 0.00 0.00 66.02 66.44 2wby s SER 580 CO 0.26 -0.22 1.85 1.55 1.20 0.00 0.00 173.24 177.88 2wby h PRO 581 N 7.12 0.00 0.00 5.44 0.13 -1.88 -2.34 132.00 140.47 2wby h PRO 581 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2wby h PRO 581 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2wby h PRO 581 CO 0.23 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.19 2wby n PHE 582 N -2.59 0.79 0.22 1.56 3.01 -1.26 -1.99 117.46 117.20 2wby n PHE 582 Ca 0.01 0.30 0.10 0.00 1.01 0.00 0.00 57.45 58.87 2wby n PHE 582 Cb 0.22 -0.98 0.45 0.00 -0.01 0.00 0.00 39.48 39.15 2wby n PHE 582 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wby h ALA 583 N 2.31 1.01 0.00 4.37 0.00 -1.73 -3.36 119.26 121.87 2wby h ALA 583 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2wby h ALA 583 Cb 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2wby h ALA 583 CO 0.00 0.28 -0.14 0.98 0.00 0.00 0.00 179.25 180.37 2wby n TYR 584 N -3.37 0.00 -0.25 0.00 4.19 -1.21 -3.37 117.16 113.15 2wby n TYR 584 Ca 0.00 0.00 0.06 0.00 3.31 0.00 0.00 57.90 61.27 2wby n TYR 584 Cb 0.44 -0.01 0.19 0.00 0.49 0.00 0.00 39.34 40.44 2wby n TYR 584 CO 0.00 0.00 0.00 -0.24 0.91 0.00 0.00 176.86 177.53 2wby h VAL 585 N 4.13 0.47 -3.56 2.97 3.04 -1.55 -3.44 116.25 118.32 2wby h VAL 585 Ca 0.00 -0.08 -0.06 0.00 -1.01 0.00 0.00 66.70 65.55 2wby h VAL 585 Cb 1.11 0.21 -0.12 0.00 -2.01 0.00 0.00 31.29 30.48 2wby h VAL 585 CO 0.00 0.04 -0.16 1.51 -1.01 0.00 0.00 177.57 177.96 2wby s ASP 586 N -5.22 -0.11 0.30 3.17 -4.77 -1.26 -5.03 116.67 103.74 2wby s ASP 586 Ca -0.13 -0.56 0.02 0.00 -3.30 0.00 0.00 52.55 48.58 2wby s ASP 586 Cb 0.22 0.47 0.74 0.00 -1.09 0.00 0.00 42.92 43.26 2wby s ASP 586 CO 0.76 -0.90 1.60 -0.65 0.70 0.00 0.00 175.17 176.68 2wby h PRO 587 N 2.42 0.07 -0.61 2.11 0.11 -1.92 0.17 132.00 134.35 2wby h PRO 587 Ca -0.32 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.89 2wby h PRO 587 Cb 1.24 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.26 2wby h PRO 587 CO 0.46 0.05 0.21 1.25 -0.21 0.00 0.00 178.00 179.76 2wby h LEU 588 N 0.08 0.17 -0.17 2.35 5.85 -1.90 0.18 115.31 121.87 2wby h LEU 588 Ca 0.58 0.09 -0.22 0.00 0.84 0.00 0.00 57.88 59.16 2wby h LEU 588 Cb 1.20 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 2wby h LEU 588 CO -0.81 0.10 -0.96 0.45 -0.34 0.00 0.00 178.44 176.88 2wby h HIS 589 N 0.37 0.48 -0.39 1.25 3.86 -1.10 -0.70 115.15 118.92 2wby h HIS 589 Ca 0.32 -0.28 -0.10 0.00 -1.16 0.00 0.00 60.37 59.15 2wby h HIS 589 Cb 0.42 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 2wby h HIS 589 CO -0.19 1.11 -0.14 1.03 0.86 0.00 0.00 177.93 180.60 2wby h SER 590 N 0.17 0.80 -0.82 2.45 0.87 -0.64 0.37 113.55 116.75 2wby h SER 590 Ca -0.07 -0.38 0.11 0.00 -1.23 0.00 0.00 61.79 60.21 2wby h SER 590 Cb 1.61 -0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 63.29 2wby h SER 590 CO 0.16 1.00 0.53 0.78 -0.53 0.00 0.00 176.83 178.77 2wby h ASN 591 N 0.59 0.64 0.27 6.23 2.35 -0.22 -1.84 115.58 123.60 2wby h ASN 591 Ca 0.09 0.02 -0.34 0.00 -0.55 0.00 0.00 56.30 55.53 2wby h ASN 591 Cb 0.68 -0.11 0.02 0.00 0.05 0.00 0.00 38.32 38.96 2wby h ASN 591 CO 0.05 0.37 -1.58 0.24 -1.65 0.00 0.00 177.43 174.86 2wby h MET 592 N 0.70 0.46 -0.87 0.81 2.86 -0.54 -1.36 114.93 116.99 2wby h MET 592 Ca 0.39 -0.78 0.20 0.00 -2.06 0.00 0.00 59.70 57.45 2wby h MET 592 Cb 0.54 0.29 -0.12 0.00 0.06 0.00 0.00 31.60 32.37 2wby h MET 592 CO -0.16 1.37 0.37 0.00 1.06 0.00 0.00 176.91 179.55 2wby h ALA 593 N 0.19 1.34 0.09 6.32 0.00 -0.76 -0.32 119.26 126.12 2wby h ALA 593 Ca -0.28 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2wby h ALA 593 Cb 2.13 0.14 0.00 0.00 0.00 0.00 0.00 17.79 20.06 2wby h ALA 593 CO 0.23 -0.31 -0.04 -0.92 0.00 0.00 0.00 179.25 178.21 2wby h TYR 594 N 0.41 -0.11 -0.82 0.00 3.20 -1.00 -2.74 116.97 115.92 2wby h TYR 594 Ca 0.52 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.38 2wby h TYR 594 Cb 0.95 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.22 2wby h TYR 594 CO -0.15 0.30 0.45 -0.07 -1.64 0.00 0.00 178.16 177.05 2wby h LEU 595 N -0.56 1.02 0.38 2.82 4.07 -1.03 -1.46 115.31 120.56 2wby h LEU 595 Ca -0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 2wby h LEU 595 Cb 0.46 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 2wby h LEU 595 CO 0.02 0.83 -0.25 0.22 -1.08 0.00 0.00 178.44 178.17 2wby h TYR 596 N 1.13 -0.67 -0.87 1.13 3.20 -1.04 0.86 116.97 120.72 2wby h TYR 596 Ca 0.29 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.16 2wby h TYR 596 Cb 0.03 0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 2wby h TYR 596 CO 0.00 -0.39 0.58 -0.07 -1.64 0.00 0.00 178.16 176.64 2wby h LEU 597 N -0.62 0.99 -0.79 2.82 4.07 -1.14 0.22 115.31 120.86 2wby h LEU 597 Ca -0.04 -0.02 -0.07 0.00 0.08 0.00 0.00 57.88 57.83 2wby h LEU 597 Cb 0.52 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.99 2wby h LEU 597 CO 0.03 0.71 0.14 -0.33 -1.08 0.00 0.00 178.44 177.91 2wby h GLU 598 N 1.17 1.05 -0.40 1.13 4.39 -0.95 -1.70 114.58 119.27 2wby h GLU 598 Ca 0.32 -0.25 -0.14 0.00 0.34 0.00 0.00 59.36 59.63 2wby h GLU 598 Cb -0.11 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.39 2wby h GLU 598 CO -0.07 0.94 -0.29 -0.07 -1.16 0.00 0.00 179.01 178.35 2wby h LEU 599 N 1.00 0.95 0.14 1.33 3.38 -0.05 -1.04 115.31 121.02 2wby h LEU 599 Ca 0.21 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.75 2wby h LEU 599 Cb 0.38 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2wby h LEU 599 CO 0.00 1.19 -0.21 0.25 0.09 0.00 0.00 178.44 179.76 2wby h LEU 600 N 0.72 -0.58 -1.13 1.67 6.46 -0.61 -1.27 115.31 120.56 2wby h LEU 600 Ca 0.08 0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.91 2wby h LEU 600 Cb 0.88 0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.98 2wby h LEU 600 CO 0.08 -0.30 0.57 0.11 -0.62 0.00 0.00 178.44 178.27 2wby h LYS 601 N -0.42 1.15 -0.87 1.25 1.57 -1.19 0.15 116.57 118.22 2wby h LYS 601 Ca 0.02 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2wby h LYS 601 Cb 0.42 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 2wby h LYS 601 CO -0.10 0.77 0.43 0.22 -0.57 0.00 0.00 179.45 180.20 2wby h ASP 602 N 1.18 1.12 1.31 0.86 1.82 -0.89 0.12 116.42 121.94 2wby h ASP 602 Ca 0.32 -0.13 -0.04 0.00 -0.39 0.00 0.00 57.03 56.79 2wby h ASP 602 Cb -0.12 -0.29 -0.01 0.00 0.68 0.00 0.00 39.33 39.59 2wby h ASP 602 CO -0.07 0.93 -0.71 0.77 -1.61 0.00 0.00 179.24 178.55 2wby h SER 603 N 1.23 0.00 0.94 2.28 4.64 0.01 -3.01 113.55 119.63 2wby h SER 603 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2wby h SER 603 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2wby h SER 603 CO -0.04 0.16 -0.17 0.18 -0.87 0.00 0.00 176.83 176.09 2wby n LEU 604 N -2.91 0.30 -0.05 5.97 4.77 0.38 -4.49 117.00 120.98 2wby n LEU 604 Ca -0.00 0.37 -0.08 0.00 -0.03 0.00 0.00 56.01 56.27 2wby n LEU 604 Cb 0.62 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 2wby n LEU 604 CO 0.39 -0.00 0.81 -1.13 -1.33 0.00 0.00 177.39 176.12 2wby h ASN 605 N 0.00 -0.28 -0.64 -1.43 -0.73 -0.63 0.51 115.58 112.38 2wby h ASN 605 Ca 0.00 0.08 0.12 0.00 1.87 0.00 0.00 56.30 58.37 2wby h ASN 605 Cb 0.56 0.17 -0.04 0.00 0.27 0.00 0.00 38.32 39.28 2wby h ASN 605 CO 0.00 -0.11 0.43 -0.33 -0.37 0.00 0.00 177.43 177.06 2wby h GLU 606 N -0.04 0.35 0.18 6.67 5.08 -1.79 -1.53 114.58 123.51 2wby h GLU 606 Ca 0.12 -0.02 -0.33 0.00 -1.00 0.00 0.00 59.36 58.12 2wby h GLU 606 Cb 0.21 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.40 2wby h GLU 606 CO -0.26 0.23 -1.64 -0.92 -1.00 0.00 0.00 179.01 175.43 2wby h TYR 607 N 0.36 0.71 0.00 4.33 3.20 -1.57 -3.36 116.97 120.63 2wby h TYR 607 Ca 0.31 -0.51 0.00 0.00 3.14 0.00 0.00 58.73 61.66 2wby h TYR 607 Cb 0.70 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.94 2wby h TYR 607 CO -0.00 1.64 0.00 0.00 -1.64 0.00 0.00 178.16 178.16 2wby n ALA 608 N -2.86 2.13 -0.15 1.82 0.00 0.07 -3.69 120.51 117.83 2wby n ALA 608 Ca -0.24 -0.01 -0.05 0.00 0.00 0.00 0.00 53.44 53.15 2wby n ALA 608 Cb 1.04 -1.45 0.04 0.00 0.00 0.00 0.00 19.45 19.09 2wby n ALA 608 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2wby h TYR 609 N 0.00 0.42 -0.54 0.00 3.20 -1.44 0.15 116.97 118.77 2wby h TYR 609 Ca 0.00 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 2wby h TYR 609 Cb 0.62 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 2wby h TYR 609 CO 0.00 0.20 0.11 0.00 -1.64 0.00 0.00 178.16 176.84 2wby h ALA 610 N 1.26 0.71 -0.75 1.82 0.00 -1.79 0.11 119.26 120.62 2wby h ALA 610 Ca 0.21 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wby h ALA 610 Cb 0.13 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2wby h ALA 610 CO -0.15 0.42 0.46 0.00 0.00 0.00 0.00 179.25 179.98 2wby h ALA 611 N 1.00 1.39 -0.35 0.00 0.00 -1.56 -0.67 119.26 119.07 2wby h ALA 611 Ca 0.17 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2wby h ALA 611 Cb 0.37 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2wby h ALA 611 CO 0.01 0.53 -0.14 1.49 0.00 0.00 0.00 179.25 181.14 2wby h GLU 612 N 1.04 0.71 -0.81 0.00 4.81 0.12 0.70 114.58 121.14 2wby h GLU 612 Ca 0.27 -0.29 0.19 0.00 -0.13 0.00 0.00 59.36 59.40 2wby h GLU 612 Cb -0.05 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 2wby h GLU 612 CO -0.05 0.89 0.55 -0.07 -0.73 0.00 0.00 179.01 179.60 2wby h LEU 613 N 0.49 0.28 -2.81 1.64 3.38 -0.31 0.57 115.31 118.54 2wby h LEU 613 Ca 0.08 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 2wby h LEU 613 Cb 0.66 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.30 2wby h LEU 613 CO 0.04 0.12 0.18 0.00 0.09 0.00 0.00 178.44 178.88 2wby n ALA 614 N -2.57 3.78 -1.18 1.53 0.00 -0.30 -4.87 120.51 116.89 2wby n ALA 614 Ca 0.16 -1.39 -0.06 0.00 0.00 0.00 0.00 53.44 52.15 2wby n ALA 614 Cb 0.68 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 2wby n ALA 614 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wby n GLY 615 N -0.01 0.84 3.15 0.00 0.00 0.19 -4.64 105.19 104.72 2wby n GLY 615 Ca 0.25 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 2wby n GLY 615 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wby s LEU 616 N -1.39 3.57 0.16 0.99 0.20 0.09 -2.80 118.68 119.50 2wby s LEU 616 Ca 0.00 -1.20 0.10 0.00 0.69 0.00 0.00 54.13 53.72 2wby s LEU 616 Cb 0.00 -1.65 -0.04 0.00 -0.43 0.00 0.00 46.19 44.06 2wby s LEU 616 CO 0.00 -0.21 -0.19 -0.44 -0.29 0.00 0.00 176.35 175.22 2wby s SER 617 N 1.23 3.75 0.02 3.68 0.01 0.60 -2.68 113.70 120.32 2wby s SER 617 Ca -0.05 -0.69 -0.02 0.00 1.31 0.00 0.00 55.95 56.50 2wby s SER 617 Cb -0.19 -0.45 -0.02 0.00 0.21 0.00 0.00 66.02 65.57 2wby s SER 617 CO -0.03 0.14 0.01 -0.72 0.41 0.00 0.00 173.24 173.05 2wby s TYR 618 N -1.44 0.24 -0.09 2.43 -0.85 -1.26 -0.20 117.35 116.19 2wby s TYR 618 Ca 0.20 -0.52 0.04 0.00 -0.52 0.00 0.00 57.07 56.27 2wby s TYR 618 Cb -0.09 -0.18 0.00 0.00 0.38 0.00 0.00 41.96 42.07 2wby s TYR 618 CO 0.11 -0.25 -0.21 0.34 -1.52 0.00 0.00 175.55 174.01 2wby s ASP 619 N -1.69 2.78 -0.08 -0.18 2.15 -0.23 -5.01 116.67 114.41 2wby s ASP 619 Ca -0.12 -0.49 -0.03 0.00 0.43 0.00 0.00 52.55 52.34 2wby s ASP 619 Cb -0.07 -1.20 0.04 0.00 -0.30 0.00 0.00 42.92 41.40 2wby s ASP 619 CO -0.02 0.14 0.15 -0.22 -0.17 0.00 0.00 175.17 175.05 2wby s LEU 620 N 0.35 -0.03 0.03 -1.34 2.96 -1.26 -1.41 118.68 117.99 2wby s LEU 620 Ca -0.16 0.30 -0.21 0.00 -0.22 0.00 0.00 54.13 53.84 2wby s LEU 620 Cb -0.17 0.23 0.05 0.00 0.50 0.00 0.00 46.19 46.80 2wby s LEU 620 CO 0.07 -0.24 0.49 0.00 -1.32 0.00 0.00 176.35 175.35 2wby s GLN 621 N 2.25 0.98 0.18 1.98 -2.07 0.27 -4.93 119.66 118.31 2wby s GLN 621 Ca 0.03 -0.22 -0.30 0.00 -1.82 0.00 0.00 55.36 53.05 2wby s GLN 621 Cb -0.12 0.45 -0.08 0.00 -1.09 0.00 0.00 33.01 32.17 2wby s GLN 621 CO -0.05 -0.34 1.11 0.54 -1.32 0.00 0.00 175.29 175.23 2wby s ASN 622 N -1.87 7.24 0.50 12.60 6.03 -1.26 0.21 114.94 138.40 2wby s ASN 622 Ca -0.06 2.11 0.04 0.00 -1.03 0.00 0.00 52.86 53.91 2wby s ASN 622 Cb -0.01 -2.60 0.04 0.00 -3.03 0.00 0.00 41.25 35.64 2wby s ASN 622 CO -0.00 -0.24 0.31 0.35 -2.03 0.00 0.00 177.10 175.48 2wby n THR 623 N 2.37 0.00 0.96 0.54 -2.24 0.18 -4.88 114.28 111.22 2wby n THR 623 Ca 0.03 -2.07 0.10 0.00 -2.27 0.00 0.00 64.05 59.85 2wby n THR 623 Cb 0.46 0.04 0.52 0.00 -2.10 0.00 0.00 70.33 69.25 2wby n THR 623 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2wby n ILE 624 N -1.59 0.37 0.34 2.28 -5.35 -1.26 -2.97 119.36 111.18 2wby n ILE 624 Ca -0.05 0.09 0.03 0.00 -0.27 0.00 0.00 62.75 62.55 2wby n ILE 624 Cb 0.58 -0.74 -0.03 0.00 -1.74 0.00 0.00 39.64 37.71 2wby n ILE 624 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2wby n TYR 625 N -1.32 0.00 0.00 4.28 0.53 -1.26 -4.51 117.16 114.88 2wby n TYR 625 Ca 0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.97 2wby n TYR 625 Cb 0.18 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.49 2wby n TYR 625 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2wby n GLY 626 N 1.08 0.06 3.13 2.72 0.00 -1.16 -1.12 105.19 109.90 2wby n GLY 626 Ca 0.02 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.45 2wby n GLY 626 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wby s MET 627 N 0.00 0.72 -0.06 1.61 -1.94 -0.41 0.50 119.30 119.72 2wby s MET 627 Ca 0.00 -0.92 0.04 0.00 -1.71 0.00 0.00 55.69 53.10 2wby s MET 627 Cb 0.00 -0.57 -0.00 0.00 2.01 0.00 0.00 34.83 36.27 2wby s MET 627 CO 0.00 0.11 -0.18 -0.47 -0.01 0.00 0.00 175.02 174.48 2wby s TYR 628 N -1.54 1.85 -0.06 -0.03 5.04 0.13 -0.62 117.35 122.12 2wby s TYR 628 Ca -0.03 -0.60 0.00 0.00 -2.44 0.00 0.00 57.07 54.00 2wby s TYR 628 Cb -0.09 -1.26 0.02 0.00 0.35 0.00 0.00 41.96 40.99 2wby s TYR 628 CO 0.01 -0.23 -0.04 -1.17 -1.34 0.00 0.00 175.55 172.78 2wby s LEU 629 N 0.19 1.15 0.03 6.97 0.20 -0.71 -0.57 118.68 125.94 2wby s LEU 629 Ca -0.08 -0.15 0.03 0.00 0.69 0.00 0.00 54.13 54.62 2wby s LEU 629 Cb -0.13 -0.53 -0.02 0.00 -0.43 0.00 0.00 46.19 45.08 2wby s LEU 629 CO 0.04 -0.09 -0.10 -0.94 -0.29 0.00 0.00 176.35 174.96 2wby s SER 630 N 1.26 1.21 -0.16 3.68 1.04 -0.50 -0.40 113.70 119.82 2wby s SER 630 Ca -0.05 -0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.00 2wby s SER 630 Cb -0.14 -0.06 0.01 0.00 0.10 0.00 0.00 66.02 65.93 2wby s SER 630 CO -0.02 -0.02 -0.18 -0.69 0.98 0.00 0.00 173.24 173.31 2wby s VAL 631 N -0.80 2.30 0.09 5.02 1.01 -0.62 -1.07 120.40 126.33 2wby s VAL 631 Ca -0.01 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.16 2wby s VAL 631 Cb -0.07 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 2wby s VAL 631 CO 0.01 0.53 -0.19 -0.54 0.00 0.00 0.00 175.10 174.91 2wby s LYS 632 N 1.02 1.05 0.00 2.72 1.02 0.72 -0.88 119.74 125.39 2wby s LYS 632 Ca -0.02 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 54.89 2wby s LYS 632 Cb -0.15 -1.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.93 2wby s LYS 632 CO -0.05 0.29 0.00 0.41 -0.92 0.00 0.00 175.35 175.07 2wby n GLY 633 N 1.21 0.71 3.75 -3.33 0.00 -1.13 -0.29 105.19 106.11 2wby n GLY 633 Ca -0.20 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.49 2wby n GLY 633 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wby s TYR 634 N -2.14 2.97 0.05 1.61 2.02 -1.12 -1.50 117.35 119.23 2wby s TYR 634 Ca 0.00 1.10 0.16 0.00 -0.37 0.00 0.00 57.07 57.96 2wby s TYR 634 Cb 0.00 -3.83 0.37 0.00 -0.40 0.00 0.00 41.96 38.10 2wby s TYR 634 CO 0.00 -2.60 1.59 -2.95 -1.57 0.00 0.00 175.55 170.02 2wby h ASN 635 N 4.50 0.00 -0.67 2.29 -1.07 -1.74 -3.36 115.58 115.52 2wby h ASN 635 Ca -0.47 0.00 0.10 0.00 0.07 0.00 0.00 56.30 56.00 2wby h ASN 635 Cb 1.22 0.00 -0.12 0.00 -2.07 0.00 0.00 38.32 37.36 2wby h ASN 635 CO 0.74 0.49 -0.42 -0.78 0.07 0.00 0.00 177.43 177.52 2wby h ASP 636 N 0.00 -1.48 -0.58 6.14 -0.00 -1.84 -2.04 116.42 116.62 2wby h ASP 636 Ca -0.00 0.26 0.00 0.00 -0.00 0.00 0.00 57.03 57.28 2wby h ASP 636 Cb 1.16 0.69 0.00 0.00 -0.00 0.00 0.00 39.33 41.18 2wby h ASP 636 CO 0.06 -0.32 0.00 0.29 -0.00 0.00 0.00 179.24 179.28 2wby n LYS 637 N -5.41 3.06 -0.22 0.28 5.02 -1.26 -4.56 118.16 115.07 2wby n LYS 637 Ca 0.03 -2.58 -0.03 0.00 -2.02 0.00 0.00 58.31 53.71 2wby n LYS 637 Cb 0.35 -1.59 0.07 0.00 -0.02 0.00 0.00 35.03 33.84 2wby n LYS 637 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2wby h GLN 638 N 3.47 0.71 -0.70 1.97 4.20 -1.51 -2.18 115.11 121.07 2wby h GLN 638 Ca 0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2wby h GLN 638 Cb 1.08 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.66 2wby h GLN 638 CO 0.08 0.47 0.41 -1.35 -0.67 0.00 0.00 178.83 177.77 2wby h PRO 639 N 0.73 0.95 -0.66 1.46 0.11 -1.80 -1.29 132.00 131.49 2wby h PRO 639 Ca 0.26 -0.08 0.03 0.00 0.11 0.00 0.00 66.00 66.32 2wby h PRO 639 Cb 0.07 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 30.94 2wby h PRO 639 CO -0.13 0.67 0.40 0.82 -0.21 0.00 0.00 178.00 179.55 2wby h ILE 640 N 0.96 1.07 0.04 4.15 1.08 -1.73 -0.27 117.51 122.81 2wby h ILE 640 Ca 0.25 -0.27 -0.17 0.00 -0.39 0.00 0.00 64.86 64.28 2wby h ILE 640 Cb -0.03 0.22 0.02 0.00 -3.07 0.00 0.00 36.82 33.95 2wby h ILE 640 CO -0.05 0.14 -0.68 0.25 -0.69 0.00 0.00 178.15 177.12 2wby h LEU 641 N 0.78 0.53 -0.56 1.44 5.85 -1.25 -1.89 115.31 120.20 2wby h LEU 641 Ca 0.27 -0.82 0.10 0.00 0.84 0.00 0.00 57.88 58.27 2wby h LEU 641 Cb 0.04 -0.16 -0.11 0.00 0.37 0.00 0.00 40.66 40.80 2wby h LEU 641 CO -0.12 1.28 -0.34 0.25 -0.34 0.00 0.00 178.44 179.17 2wby h LEU 642 N -0.17 -1.19 -0.59 2.25 6.46 -1.20 0.01 115.31 120.89 2wby h LEU 642 Ca -0.10 0.22 0.01 0.00 -0.12 0.00 0.00 57.88 57.90 2wby h LEU 642 Cb 1.43 0.58 -0.03 0.00 -0.73 0.00 0.00 40.66 41.90 2wby h LEU 642 CO 0.13 -0.31 0.38 0.50 -0.62 0.00 0.00 178.44 178.52 2wby h LYS 643 N -0.18 0.75 -0.83 1.25 1.63 -0.92 -0.85 116.57 117.41 2wby h LYS 643 Ca 0.22 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.99 2wby h LYS 643 Cb 0.55 -0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 31.97 2wby h LYS 643 CO -0.66 0.50 0.54 -0.22 -3.45 0.00 0.00 179.45 176.16 2wby h LYS 644 N 0.77 1.05 0.27 1.90 1.63 -0.62 0.81 116.57 122.39 2wby h LYS 644 Ca 0.22 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.94 2wby h LYS 644 Cb -0.06 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.33 2wby h LYS 644 CO -0.06 0.70 -0.13 0.82 -3.45 0.00 0.00 179.45 177.32 2wby h ILE 645 N 1.08 0.75 -0.81 2.00 2.04 0.35 0.25 117.51 123.19 2wby h ILE 645 Ca 0.32 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 66.00 2wby h ILE 645 Cb -0.07 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 2wby h ILE 645 CO -0.09 0.04 0.51 0.40 0.00 0.00 0.00 178.15 179.02 2wby h ILE 646 N -0.46 1.22 -0.08 -0.67 1.08 -1.09 0.97 117.51 118.48 2wby h ILE 646 Ca -0.04 -0.44 0.03 0.00 -0.39 0.00 0.00 64.86 64.03 2wby h ILE 646 Cb 0.35 0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 34.11 2wby h ILE 646 CO 0.06 0.22 -0.13 -0.33 -0.69 0.00 0.00 178.15 177.28 2wby h GLU 647 N 1.11 -0.17 -0.31 2.37 5.08 -0.71 -2.06 114.58 119.88 2wby h GLU 647 Ca 0.29 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.60 2wby h GLU 647 Cb -0.08 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2wby h GLU 647 CO -0.06 -0.12 -0.09 -0.22 -1.00 0.00 0.00 179.01 177.53 2wby h LYS 648 N -0.18 0.52 -0.42 2.33 1.63 -0.43 -2.40 116.57 117.62 2wby h LYS 648 Ca 0.07 -0.14 0.03 0.00 -0.85 0.00 0.00 60.65 59.77 2wby h LYS 648 Cb 0.29 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.82 2wby h LYS 648 CO -0.19 0.61 0.21 0.52 -3.45 0.00 0.00 179.45 177.15 2wby h MET 649 N 0.49 0.40 -0.01 1.90 2.86 -0.32 -1.42 114.93 118.83 2wby h MET 649 Ca 0.09 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2wby h MET 649 Cb 0.45 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2wby h MET 649 CO 0.02 0.27 -0.02 0.00 1.06 0.00 0.00 176.91 178.25 2wby n ALA 650 N -2.30 2.64 -1.54 6.32 0.00 -0.82 -3.67 120.51 121.14 2wby n ALA 650 Ca 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2wby n ALA 650 Cb 0.11 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2wby n ALA 650 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wby n THR 651 N -0.33 0.00 -1.68 0.00 -2.24 -1.01 -4.42 114.28 104.60 2wby n THR 651 Ca 0.20 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.53 2wby n THR 651 Cb 0.27 0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 69.09 2wby n THR 651 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2wby n PHE 652 N 0.00 2.38 -4.31 4.78 7.35 -0.55 -5.00 117.46 122.12 2wby n PHE 652 Ca 0.00 0.25 -0.32 0.00 -0.76 0.00 0.00 57.45 56.62 2wby n PHE 652 Cb 0.56 -2.56 -0.16 0.00 0.35 0.00 0.00 39.48 37.67 2wby n PHE 652 CO 0.00 0.00 0.00 -1.83 -0.76 0.00 0.00 176.76 174.17 2wby s GLU 653 N 0.66 2.79 0.15 -4.13 -1.05 -1.26 -5.10 118.70 110.75 2wby s GLU 653 Ca 0.76 -0.76 -0.30 0.00 -0.15 0.00 0.00 54.97 54.52 2wby s GLU 653 Cb -0.63 -2.37 -0.07 0.00 -0.44 0.00 0.00 34.13 30.62 2wby s GLU 653 CO 0.39 -0.14 1.06 0.42 0.95 0.00 0.00 175.26 177.95 2wby s ILE 654 N 1.14 4.09 -0.17 1.83 1.01 -1.26 -5.01 121.20 122.83 2wby s ILE 654 Ca -0.00 1.76 -0.27 0.00 0.00 0.00 0.00 60.65 62.14 2wby s ILE 654 Cb -0.14 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.20 2wby s ILE 654 CO -0.08 0.28 0.91 -0.62 0.00 0.00 0.00 174.94 175.44 2wby s ASP 655 N 0.00 7.04 0.37 3.58 3.68 -1.26 -4.95 116.67 125.13 2wby s ASP 655 Ca 0.49 1.28 0.09 0.00 2.13 0.00 0.00 52.55 56.55 2wby s ASP 655 Cb -0.27 -2.49 0.84 0.00 -1.45 0.00 0.00 42.92 39.54 2wby s ASP 655 CO 0.33 -0.48 1.91 -0.08 0.13 0.00 0.00 175.17 176.98 2wby h GLU 656 N 7.34 0.64 -0.10 4.34 4.81 -1.99 -2.26 114.58 127.36 2wby h GLU 656 Ca -0.27 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.89 2wby h GLU 656 Cb 1.12 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.35 2wby h GLU 656 CO 0.87 0.42 -0.06 0.87 -0.73 0.00 0.00 179.01 180.39 2wby h LYS 657 N 0.66 0.22 -0.87 1.92 1.79 -2.00 -1.56 116.57 116.73 2wby h LYS 657 Ca 0.38 -0.10 0.10 0.00 -2.18 0.00 0.00 60.65 58.86 2wby h LYS 657 Cb 0.58 -0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.17 2wby h LYS 657 CO -0.15 0.58 0.56 0.00 -1.08 0.00 0.00 179.45 179.36 2wby h ARG 658 N -0.16 0.81 -0.02 3.15 2.47 -1.90 -2.05 114.38 116.68 2wby h ARG 658 Ca 0.02 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 2wby h ARG 658 Cb 0.52 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.66 2wby h ARG 658 CO 0.02 0.53 -0.02 0.35 0.56 0.00 0.00 179.97 181.41 2wby h PHE 659 N 0.83 0.06 -0.82 3.04 3.57 -1.12 -0.69 116.94 121.81 2wby h PHE 659 Ca 0.41 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.95 2wby h PHE 659 Cb 0.45 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.11 2wby h PHE 659 CO -0.00 0.52 0.50 0.93 -2.23 0.00 0.00 178.31 178.03 2wby h GLU 660 N -0.41 0.88 -0.24 1.11 4.39 -0.98 -1.70 114.58 117.63 2wby h GLU 660 Ca 0.00 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 2wby h GLU 660 Cb 0.51 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2wby h GLU 660 CO 0.00 0.58 -0.28 0.82 -1.16 0.00 0.00 179.01 178.98 2wby h ILE 661 N 0.91 1.32 -0.18 3.13 2.04 -1.14 -1.70 117.51 121.88 2wby h ILE 661 Ca 0.36 -1.46 -0.13 0.00 1.00 0.00 0.00 64.86 64.63 2wby h ILE 661 Cb 0.19 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 2wby h ILE 661 CO -0.18 0.46 -0.45 0.40 0.00 0.00 0.00 178.15 178.38 2wby h ILE 662 N 0.33 1.32 -0.36 -0.67 2.04 -1.01 -1.90 117.51 117.25 2wby h ILE 662 Ca 0.03 -1.64 -0.00 0.00 1.00 0.00 0.00 64.86 64.25 2wby h ILE 662 Cb 0.85 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 2wby h ILE 662 CO 0.07 0.51 0.22 0.50 0.00 0.00 0.00 178.15 179.44 2wby h LYS 663 N 0.35 0.49 -0.21 2.37 3.64 -1.16 0.50 116.57 122.55 2wby h LYS 663 Ca 0.02 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 2wby h LYS 663 Cb 0.94 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 2wby h LYS 663 CO 0.08 0.36 -0.16 1.49 -2.27 0.00 0.00 179.45 178.95 2wby h GLU 664 N 0.47 0.35 -0.25 1.90 4.22 -1.04 -1.25 114.58 118.99 2wby h GLU 664 Ca 0.13 -0.10 -0.20 0.00 0.08 0.00 0.00 59.36 59.27 2wby h GLU 664 Cb -0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2wby h GLU 664 CO -0.02 0.51 -0.62 0.00 -2.18 0.00 0.00 179.01 176.70 2wby h ALA 665 N 1.51 0.41 -0.67 2.92 0.00 -0.93 -2.70 119.26 119.80 2wby h ALA 665 Ca 0.06 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2wby h ALA 665 Cb 0.48 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2wby h ALA 665 CO 0.03 0.68 0.36 -0.92 0.00 0.00 0.00 179.25 179.40 2wby h TYR 666 N 0.64 0.93 -0.03 0.00 3.20 -0.48 -0.25 116.97 120.97 2wby h TYR 666 Ca -0.01 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.85 2wby h TYR 666 Cb 1.24 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 2wby h TYR 666 CO 0.08 0.66 -0.05 1.98 -1.64 0.00 0.00 178.16 179.20 2wby h MET 667 N 0.92 -0.06 -0.91 1.82 4.05 -1.23 0.92 114.93 120.44 2wby h MET 667 Ca 0.23 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.64 2wby h MET 667 Cb 0.05 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.82 2wby h MET 667 CO -0.04 -0.04 0.51 0.00 0.23 0.00 0.00 176.91 177.57 2wby h ARG 668 N -0.07 1.26 -0.02 0.39 3.08 -1.22 -1.33 114.38 116.48 2wby h ARG 668 Ca 0.03 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 59.82 2wby h ARG 668 Cb 0.11 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 2wby h ARG 668 CO -0.07 0.91 -0.56 0.66 -1.07 0.00 0.00 179.97 179.83 2wby h SER 669 N 1.27 0.07 -0.18 7.04 4.64 -0.51 0.32 113.55 126.20 2wby h SER 669 Ca 0.32 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 2wby h SER 669 Cb 0.00 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2wby h SER 669 CO -0.05 0.62 0.07 -0.07 -0.87 0.00 0.00 176.83 176.52 2wby h LEU 670 N 0.05 0.25 -1.03 5.97 3.38 -0.12 -2.82 115.31 121.00 2wby h LEU 670 Ca -0.00 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.84 2wby h LEU 670 Cb 1.01 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.63 2wby h LEU 670 CO 0.08 0.35 0.65 0.78 0.09 0.00 0.00 178.44 180.39 2wby h ASN 671 N 0.12 1.06 0.09 -0.43 2.35 -0.98 -2.55 115.58 115.25 2wby h ASN 671 Ca 0.06 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2wby h ASN 671 Cb 0.19 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2wby h ASN 671 CO -0.00 0.71 0.00 0.59 -1.65 0.00 0.00 177.43 177.07 2wby n ASN 672 N -4.46 0.00 0.25 5.81 5.03 0.11 -1.24 115.26 120.75 2wby n ASN 672 Ca 0.14 0.35 0.08 0.00 0.87 0.00 0.00 54.58 56.02 2wby n ASN 672 Cb 0.13 -0.38 0.62 0.00 -1.02 0.00 0.00 39.78 39.13 2wby n ASN 672 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 2wby h PHE 673 N 0.00 0.00 -0.55 3.10 3.57 -1.42 -0.69 116.94 120.95 2wby h PHE 673 Ca 0.00 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.66 2wby h PHE 673 Cb 0.05 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2wby h PHE 673 CO 0.00 0.07 0.50 -0.09 -2.23 0.00 0.00 178.31 176.56 2wby h ARG 674 N 0.00 0.00 -0.02 1.11 2.43 -1.41 -1.08 114.38 115.41 2wby h ARG 674 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wby h ARG 674 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2wby h ARG 674 CO 0.01 0.00 -0.13 0.00 -1.51 0.00 0.00 179.97 178.34 2wby n ALA 675 N -2.47 2.77 -1.30 2.80 0.00 -0.27 -4.47 120.51 117.57 2wby n ALA 675 Ca 0.11 -0.66 -0.35 0.00 0.00 0.00 0.00 53.44 52.54 2wby n ALA 675 Cb 0.71 -0.84 0.10 0.00 0.00 0.00 0.00 19.45 19.43 2wby n ALA 675 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wby n GLU 676 N 0.88 0.44 -1.68 0.00 -0.58 -0.41 -4.93 120.64 114.36 2wby n GLU 676 Ca 0.13 0.21 -0.38 0.00 -0.42 0.00 0.00 57.16 56.70 2wby n GLU 676 Cb 0.55 -2.32 0.05 0.00 -0.57 0.00 0.00 31.44 29.14 2wby n GLU 676 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2wby n GLN 677 N -2.35 1.31 -0.28 3.49 6.02 -1.26 -4.77 117.38 119.53 2wby n GLN 677 Ca 0.13 0.49 0.07 0.00 -0.01 0.00 0.00 57.00 57.69 2wby n GLN 677 Cb 0.50 -2.38 0.22 0.00 1.02 0.00 0.00 30.24 29.60 2wby n GLN 677 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2wby h PRO 678 N 0.99 0.51 0.00 -1.09 0.11 -1.90 0.37 132.00 130.99 2wby h PRO 678 Ca -0.49 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 2wby h PRO 678 Cb 1.33 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2wby h PRO 678 CO 0.54 0.34 -0.33 1.12 -0.21 0.00 0.00 178.00 179.46 2wby h HIS 679 N 0.52 0.00 -0.12 0.65 2.07 -1.87 0.53 115.15 116.94 2wby h HIS 679 Ca 0.46 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.85 2wby h HIS 679 Cb 0.70 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.69 2wby h HIS 679 CO -0.13 0.33 -0.42 1.96 -3.07 0.00 0.00 177.93 176.60 2wby h GLN 680 N 0.00 0.49 -0.58 5.12 4.20 -0.76 -2.26 115.11 121.32 2wby h GLN 680 Ca -0.00 -0.37 0.12 0.00 0.06 0.00 0.00 58.65 58.45 2wby h GLN 680 Cb 0.71 0.07 -0.09 0.00 0.30 0.00 0.00 27.48 28.46 2wby h GLN 680 CO 0.04 1.00 0.05 0.45 -0.67 0.00 0.00 178.83 179.70 2wby h HIS 681 N 0.08 0.06 -0.75 2.96 3.86 -0.24 -1.57 115.15 119.55 2wby h HIS 681 Ca -0.02 0.04 0.07 0.00 -1.16 0.00 0.00 60.37 59.30 2wby h HIS 681 Cb 1.05 0.06 -0.06 0.00 1.06 0.00 0.00 27.41 29.52 2wby h HIS 681 CO 0.11 -0.10 0.43 0.00 0.86 0.00 0.00 177.93 179.23 2wby h ALA 682 N 1.50 1.02 -0.08 2.45 0.00 -0.73 -0.56 119.26 122.86 2wby h ALA 682 Ca 0.30 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.08 2wby h ALA 682 Cb 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2wby h ALA 682 CO -0.45 0.11 -0.60 0.52 0.00 0.00 0.00 179.25 178.82 2wby h MET 683 N 0.77 0.28 -0.14 0.00 2.86 -0.79 -2.05 114.93 115.86 2wby h MET 683 Ca 0.34 -0.19 -0.09 0.00 -2.06 0.00 0.00 59.70 57.70 2wby h MET 683 Cb 0.23 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.92 2wby h MET 683 CO -0.20 0.80 -0.27 -0.92 1.06 0.00 0.00 176.91 177.38 2wby h TYR 684 N 0.20 0.53 -0.64 -0.22 3.20 -0.33 -2.20 116.97 117.51 2wby h TYR 684 Ca -0.01 -0.19 0.04 0.00 3.14 0.00 0.00 58.73 61.71 2wby h TYR 684 Cb 1.11 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 39.24 2wby h TYR 684 CO 0.02 0.89 0.38 1.88 -1.64 0.00 0.00 178.16 179.69 2wby h TYR 685 N 0.02 0.71 -0.74 -3.82 0.05 -0.98 -1.40 116.97 110.81 2wby h TYR 685 Ca 0.01 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.84 2wby h TYR 685 Cb 0.86 -0.23 -0.05 0.00 1.01 0.00 0.00 36.73 38.32 2wby h TYR 685 CO 0.10 0.39 0.46 1.25 -1.05 0.00 0.00 178.16 179.31 2wby h LEU 686 N 0.74 0.75 -0.76 3.88 5.85 -1.29 0.20 115.31 124.67 2wby h LEU 686 Ca 0.26 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 2wby h LEU 686 Cb 0.07 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 2wby h LEU 686 CO -0.13 0.51 0.43 0.03 -0.34 0.00 0.00 178.44 178.95 2wby h ARG 687 N 0.89 1.05 -0.36 1.25 3.08 -0.89 0.17 114.38 119.56 2wby h ARG 687 Ca 0.30 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 2wby h ARG 687 Cb 0.04 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 2wby h ARG 687 CO -0.12 0.76 0.08 -0.07 -1.07 0.00 0.00 179.97 179.55 2wby h LEU 688 N 1.04 0.55 -1.00 3.04 3.38 -0.12 -2.69 115.31 119.51 2wby h LEU 688 Ca 0.27 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2wby h LEU 688 Cb 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2wby h LEU 688 CO -0.05 0.65 -0.31 -0.07 0.09 0.00 0.00 178.44 178.75 2wby h LEU 689 N 0.43 0.34 0.00 1.67 3.38 0.19 -3.31 115.31 118.01 2wby h LEU 689 Ca 0.11 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2wby h LEU 689 Cb 0.31 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2wby h LEU 689 CO 0.00 0.64 -0.72 0.23 0.09 0.00 0.00 178.44 178.69 2wby n MET 690 N -4.10 0.01 -4.28 1.13 2.81 0.50 -4.84 117.12 108.36 2wby n MET 690 Ca -0.01 -0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.53 2wby n MET 690 Cb 0.42 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.34 2wby n MET 690 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2wby s THR 691 N -3.01 4.51 0.15 2.03 2.01 -1.04 -1.65 115.64 118.65 2wby s THR 691 Ca 0.10 -0.20 -0.20 0.00 0.31 0.00 0.00 61.69 61.69 2wby s THR 691 Cb 0.17 -2.92 0.03 0.00 0.01 0.00 0.00 72.50 69.79 2wby s THR 691 CO 0.77 0.59 1.66 -0.08 -0.69 0.00 0.00 174.62 176.87 2wby h GLU 692 N 5.04 -0.13 -5.25 4.92 4.81 -1.29 -3.40 114.58 119.28 2wby h GLU 692 Ca -0.51 0.01 -0.57 0.00 -0.13 0.00 0.00 59.36 58.16 2wby h GLU 692 Cb 1.20 0.03 -0.32 0.00 0.63 0.00 0.00 28.75 30.29 2wby h GLU 692 CO 0.55 -0.08 -0.84 0.08 -0.73 0.00 0.00 179.01 177.99 2wby s VAL 693 N -6.16 1.45 -0.28 0.32 1.01 -1.26 -5.05 120.40 110.43 2wby s VAL 693 Ca -0.14 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 60.94 2wby s VAL 693 Cb 0.12 -1.25 0.10 0.00 0.00 0.00 0.00 36.38 35.35 2wby s VAL 693 CO 0.69 0.42 0.79 0.00 0.00 0.00 0.00 175.10 177.00 2wby s ALA 694 N 0.11 -1.96 -0.11 5.51 0.00 -1.26 -5.09 121.76 118.95 2wby s ALA 694 Ca -0.06 2.27 -0.08 0.00 0.00 0.00 0.00 51.96 54.09 2wby s ALA 694 Cb -0.12 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 2wby s ALA 694 CO 0.03 -0.35 0.16 -1.58 0.00 0.00 0.00 175.76 174.01 2wby s TRP 695 N 1.24 3.60 0.50 0.00 0.23 -1.26 -5.11 118.94 118.15 2wby s TRP 695 Ca -0.07 0.56 -0.04 0.00 -2.03 0.00 0.00 56.10 54.52 2wby s TRP 695 Cb -0.05 -1.97 -0.02 0.00 0.03 0.00 0.00 33.47 31.47 2wby s TRP 695 CO -0.14 0.72 0.79 0.95 0.96 0.00 0.00 176.95 180.23 2wby s THR 696 N -1.00 4.41 0.31 2.01 -4.23 -1.26 -4.90 115.64 110.97 2wby s THR 696 Ca 0.15 -0.01 0.03 0.00 -1.18 0.00 0.00 61.69 60.69 2wby s THR 696 Cb -0.12 -3.68 0.29 0.00 1.34 0.00 0.00 72.50 70.33 2wby s THR 696 CO 0.05 -0.64 1.87 0.11 -0.54 0.00 0.00 174.62 175.47 2wby h LYS 697 N 0.16 0.90 -0.67 3.99 1.79 -1.99 0.06 116.57 120.82 2wby h LYS 697 Ca -0.47 -0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 57.87 2wby h LYS 697 Cb 1.23 -0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 31.65 2wby h LYS 697 CO 0.61 0.60 0.11 -0.44 -1.08 0.00 0.00 179.45 179.24 2wby h ASP 698 N 0.93 1.06 -0.29 0.86 3.45 -1.94 -0.43 116.42 120.05 2wby h ASP 698 Ca 0.45 -0.25 -0.02 0.00 0.43 0.00 0.00 57.03 57.64 2wby h ASP 698 Cb 0.45 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.93 2wby h ASP 698 CO -0.21 1.04 0.12 -0.33 -1.57 0.00 0.00 179.24 178.29 2wby h GLU 699 N 1.03 0.43 -0.82 3.56 5.08 -1.71 -0.44 114.58 121.70 2wby h GLU 699 Ca 0.20 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2wby h GLU 699 Cb 0.44 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 2wby h GLU 699 CO 0.01 0.44 0.46 -0.07 -1.00 0.00 0.00 179.01 178.85 2wby h LEU 700 N 0.32 1.02 -0.45 1.33 3.38 -0.86 -1.43 115.31 118.63 2wby h LEU 700 Ca 0.10 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 2wby h LEU 700 Cb 0.17 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2wby h LEU 700 CO -0.01 0.82 -0.40 0.50 0.09 0.00 0.00 178.44 179.45 2wby h LYS 701 N 1.14 0.85 -0.13 1.13 3.64 -0.82 -2.49 116.57 119.90 2wby h LYS 701 Ca 0.29 -0.45 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2wby h LYS 701 Cb 0.02 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2wby h LYS 701 CO -0.05 1.09 0.08 0.93 -2.27 0.00 0.00 179.45 179.23 2wby h GLU 702 N 0.70 0.17 0.00 1.90 5.08 -0.80 -2.81 114.58 118.82 2wby h GLU 702 Ca 0.05 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2wby h GLU 702 Cb 0.97 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2wby h GLU 702 CO 0.09 0.15 0.00 0.00 -1.00 0.00 0.00 179.01 178.25 2wby n ALA 703 N -2.15 1.53 -0.06 3.43 0.00 -0.56 -3.56 120.51 119.14 2wby n ALA 703 Ca -0.05 0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2wby n ALA 703 Cb 0.05 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.17 2wby n ALA 703 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wby h LEU 704 N 0.00 0.92 -2.55 0.00 5.85 -1.17 -2.97 115.31 115.40 2wby h LEU 704 Ca 0.00 -0.51 0.01 0.00 0.84 0.00 0.00 57.88 58.22 2wby h LEU 704 Cb 0.26 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 2wby h LEU 704 CO 0.00 1.30 0.06 0.44 -0.34 0.00 0.00 178.44 179.89 2wby h ASP 705 N 0.62 0.00 0.98 1.25 5.19 -1.71 0.55 116.42 123.30 2wby h ASP 705 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2wby h ASP 705 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 2wby h ASP 705 CO 0.12 0.00 0.00 0.47 -3.12 0.00 0.00 179.24 176.71 2wby n ASP 706 N -3.56 0.62 -4.64 6.45 9.92 -1.12 -4.76 116.55 119.46 2wby n ASP 706 Ca -0.02 0.61 -0.43 0.00 -0.53 0.00 0.00 54.79 54.42 2wby n ASP 706 Cb 0.14 -0.76 -0.02 0.00 -0.64 0.00 0.00 41.12 39.84 2wby n ASP 706 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2wby s VAL 707 N -3.20 4.24 0.21 2.53 1.01 0.19 -4.96 120.40 120.43 2wby s VAL 707 Ca 0.07 1.43 0.08 0.00 0.00 0.00 0.00 61.98 63.57 2wby s VAL 707 Cb 0.11 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 2wby s VAL 707 CO 0.46 -0.41 -0.02 0.42 0.00 0.00 0.00 175.10 175.55 2wby s THR 708 N 4.06 3.51 0.17 3.92 -4.23 -1.26 -5.02 115.64 116.79 2wby s THR 708 Ca 0.54 -1.65 -0.19 0.00 -1.18 0.00 0.00 61.69 59.20 2wby s THR 708 Cb -0.17 -2.80 0.10 0.00 1.34 0.00 0.00 72.50 70.98 2wby s THR 708 CO 0.20 -0.21 1.63 0.25 -0.54 0.00 0.00 174.62 175.95 2wby h LEU 709 N 2.45 -0.73 -0.38 4.79 5.85 -1.99 -0.81 115.31 124.48 2wby h LEU 709 Ca -0.46 0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.44 2wby h LEU 709 Cb 1.22 0.39 -0.02 0.00 0.37 0.00 0.00 40.66 42.61 2wby h LEU 709 CO 0.58 -0.24 0.23 -0.65 -0.34 0.00 0.00 178.44 178.02 2wby h PRO 710 N -0.14 0.46 -0.64 5.25 0.11 -1.99 -1.07 132.00 133.98 2wby h PRO 710 Ca 0.20 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.32 2wby h PRO 710 Cb 0.45 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.42 2wby h PRO 710 CO -0.50 0.30 0.42 0.00 -0.21 0.00 0.00 178.00 178.02 2wby h ARG 711 N 0.47 0.72 -0.20 1.05 -0.00 -1.84 0.20 114.38 114.79 2wby h ARG 711 Ca 0.15 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.98 59.57 2wby h ARG 711 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 29.97 29.79 2wby h ARG 711 CO -0.06 0.48 0.05 1.25 0.00 0.00 0.00 179.97 181.69 2wby h LEU 712 N 0.74 0.29 -0.83 3.04 6.46 -0.45 0.34 115.31 124.91 2wby h LEU 712 Ca 0.26 -0.22 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2wby h LEU 712 Cb 0.11 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 39.92 2wby h LEU 712 CO -0.07 0.44 0.52 0.11 -0.62 0.00 0.00 178.44 178.81 2wby h LYS 713 N 0.14 1.12 -0.66 1.25 1.57 -0.85 -1.61 116.57 117.52 2wby h LYS 713 Ca 0.06 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2wby h LYS 713 Cb 0.25 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2wby h LYS 713 CO -0.00 0.77 0.32 0.00 -0.57 0.00 0.00 179.45 179.97 2wby h ALA 714 N 1.28 1.32 -0.69 3.86 0.00 -0.43 -3.16 119.26 121.43 2wby h ALA 714 Ca 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2wby h ALA 714 Cb -0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 2wby h ALA 714 CO -0.06 0.53 0.34 0.35 0.00 0.00 0.00 179.25 180.41 2wby h PHE 715 N 0.93 0.99 0.15 0.00 3.57 0.64 -3.16 116.94 120.06 2wby h PHE 715 Ca 0.23 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2wby h PHE 715 Cb 0.10 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.53 2wby h PHE 715 CO 0.01 0.73 -0.07 0.82 -2.23 0.00 0.00 178.31 177.57 2wby h ILE 716 N 0.96 0.91 -0.69 1.41 2.04 -1.40 0.23 117.51 120.97 2wby h ILE 716 Ca 0.24 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.86 2wby h ILE 716 Cb 0.11 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 2wby h ILE 716 CO -0.03 0.06 0.46 -0.65 0.00 0.00 0.00 178.15 177.99 2wby h PRO 717 N -0.33 0.87 -0.63 2.37 0.11 -1.72 0.28 132.00 132.96 2wby h PRO 717 Ca -0.02 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.05 2wby h PRO 717 Cb 0.26 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.14 2wby h PRO 717 CO 0.03 0.58 0.41 1.96 -0.21 0.00 0.00 178.00 180.77 2wby h GLN 718 N 0.90 0.81 -0.23 1.05 7.50 -1.33 -0.68 115.11 123.13 2wby h GLN 718 Ca 0.26 -0.05 -0.08 0.00 0.50 0.00 0.00 58.65 59.29 2wby h GLN 718 Cb -0.04 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.30 2wby h GLN 718 CO -0.07 0.54 -0.19 1.25 -1.50 0.00 0.00 178.83 178.86 2wby h LEU 719 N 0.83 0.41 0.00 1.46 7.12 0.62 -3.16 115.31 122.60 2wby h LEU 719 Ca 0.23 -0.12 0.00 0.00 0.13 0.00 0.00 57.88 58.13 2wby h LEU 719 Cb -0.08 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 39.95 2wby h LEU 719 CO -0.06 0.62 -0.69 0.18 -0.13 0.00 0.00 178.44 178.35 2wby n LEU 720 N -4.17 0.61 0.31 2.25 4.77 -0.03 -4.22 117.00 116.52 2wby n LEU 720 Ca -0.00 -0.02 0.20 0.00 -0.03 0.00 0.00 56.01 56.15 2wby n LEU 720 Cb 0.35 -0.18 1.00 0.00 -2.33 0.00 0.00 43.42 42.26 2wby n LEU 720 CO 0.41 0.09 1.10 0.77 -1.33 0.00 0.00 177.39 178.43 2wby h SER 721 N 0.00 0.00 -2.76 -1.43 4.64 -1.10 -3.39 113.55 109.52 2wby h SER 721 Ca 0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 2wby h SER 721 Cb 0.59 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.35 2wby h SER 721 CO 0.00 0.02 -0.55 -0.60 -0.87 0.00 0.00 176.83 174.82 2wby s ARG 722 N -4.05 0.16 -0.00 4.77 6.06 -1.26 -0.45 118.95 124.17 2wby s ARG 722 Ca -0.03 0.62 -0.06 0.00 -2.50 0.00 0.00 55.73 53.76 2wby s ARG 722 Cb 0.12 -0.30 -0.00 0.00 0.06 0.00 0.00 34.95 34.83 2wby s ARG 722 CO 0.48 -0.38 0.11 -0.51 -2.50 0.00 0.00 175.30 172.50 2wby s LEU 723 N 2.40 1.68 -0.01 -0.88 1.43 -1.01 -4.67 118.68 117.61 2wby s LEU 723 Ca 0.03 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 2wby s LEU 723 Cb -0.13 0.54 -0.03 0.00 0.03 0.00 0.00 46.19 46.60 2wby s LEU 723 CO -0.09 -0.32 -0.06 -2.28 0.23 0.00 0.00 176.35 173.82 2wby s HIS 724 N -1.22 2.91 -0.14 0.29 5.65 -1.13 -3.16 115.29 118.48 2wby s HIS 724 Ca -0.13 -0.02 0.02 0.00 0.25 0.00 0.00 55.06 55.17 2wby s HIS 724 Cb -0.07 -1.63 0.00 0.00 -1.18 0.00 0.00 32.58 29.70 2wby s HIS 724 CO 0.01 0.37 -0.19 0.42 -0.65 0.00 0.00 174.74 174.70 2wby s ILE 725 N -0.96 2.35 -0.07 0.89 1.01 0.03 0.09 121.20 124.54 2wby s ILE 725 Ca 0.16 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.97 2wby s ILE 725 Cb -0.11 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 2wby s ILE 725 CO 0.06 0.53 -0.20 -0.70 0.00 0.00 0.00 174.94 174.64 2wby s GLU 726 N 0.75 2.71 0.00 2.79 2.12 0.14 -0.64 118.70 126.57 2wby s GLU 726 Ca -0.08 -0.80 -0.02 0.00 0.36 0.00 0.00 54.97 54.43 2wby s GLU 726 Cb -0.16 -2.32 -0.01 0.00 0.26 0.00 0.00 34.13 31.91 2wby s GLU 726 CO 0.00 0.42 0.03 0.00 -0.54 0.00 0.00 175.26 175.16 2wby s ALA 727 N -0.22 -0.04 -0.15 6.30 0.00 -0.48 0.81 121.76 127.97 2wby s ALA 727 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.68 2wby s ALA 727 Cb -0.13 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.08 2wby s ALA 727 CO 0.03 -0.12 -0.13 -1.17 0.00 0.00 0.00 175.76 174.36 2wby s LEU 728 N -0.96 1.71 -0.16 0.00 0.20 0.18 0.06 118.68 119.70 2wby s LEU 728 Ca -0.11 -0.52 0.01 0.00 0.69 0.00 0.00 54.13 54.21 2wby s LEU 728 Cb -0.06 -1.16 0.01 0.00 -0.43 0.00 0.00 46.19 44.55 2wby s LEU 728 CO -0.00 -0.07 -0.20 -0.76 -0.29 0.00 0.00 176.35 175.03 2wby s LEU 729 N 1.49 2.18 -0.11 -0.68 1.43 -0.31 0.14 118.68 122.82 2wby s LEU 729 Ca 0.04 -0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 52.48 2wby s LEU 729 Cb -0.13 -1.48 0.05 0.00 0.03 0.00 0.00 46.19 44.65 2wby s LEU 729 CO -0.10 0.04 0.24 -2.28 0.23 0.00 0.00 176.35 174.48 2wby s HIS 730 N 1.08 -0.33 -5.00 0.29 2.46 0.09 -1.31 115.29 112.56 2wby s HIS 730 Ca -0.00 0.80 0.00 0.00 0.47 0.00 0.00 55.06 56.33 2wby s HIS 730 Cb -0.14 0.03 0.00 0.00 -0.13 0.00 0.00 32.58 32.33 2wby s HIS 730 CO -0.07 -0.25 0.00 0.41 -2.47 0.00 0.00 174.74 172.36 2wby n GLY 731 N 4.40 0.38 3.46 1.59 0.00 -0.99 0.11 105.19 114.15 2wby n GLY 731 Ca -0.22 -1.42 -0.44 0.00 0.00 0.00 0.00 46.02 43.94 2wby n GLY 731 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wby s ASN 732 N -4.00 6.94 0.11 1.61 2.47 -0.63 0.12 114.94 121.55 2wby s ASN 732 Ca 0.00 -2.71 -0.25 0.00 0.42 0.00 0.00 52.86 50.33 2wby s ASN 732 Cb 0.00 -2.41 0.07 0.00 -1.45 0.00 0.00 41.25 37.47 2wby s ASN 732 CO 0.00 -0.85 0.64 0.27 -3.72 0.00 0.00 177.10 173.44 2wby s ILE 733 N 1.97 0.00 0.26 -5.21 -4.36 -1.26 -4.81 121.20 107.79 2wby s ILE 733 Ca 0.40 0.00 0.08 0.00 -0.26 0.00 0.00 60.65 60.87 2wby s ILE 733 Cb -0.03 -1.00 -0.04 0.00 1.25 0.00 0.00 42.46 42.64 2wby s ILE 733 CO -0.02 0.00 0.13 0.42 0.24 0.00 0.00 174.94 175.70 2wby s THR 734 N -3.24 4.11 0.18 8.37 -4.23 -1.26 -4.50 115.64 115.07 2wby s THR 734 Ca -0.01 -1.58 -0.18 0.00 -1.18 0.00 0.00 61.69 58.75 2wby s THR 734 Cb -0.01 -3.21 0.14 0.00 1.34 0.00 0.00 72.50 70.76 2wby s THR 734 CO -0.09 -0.36 1.62 0.50 -0.54 0.00 0.00 174.62 175.76 2wby h LYS 735 N 1.63 -0.09 -0.29 3.99 3.64 -1.99 0.70 116.57 124.14 2wby h LYS 735 Ca -0.47 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.91 2wby h LYS 735 Cb 1.24 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.07 2wby h LYS 735 CO 0.61 -0.06 0.16 0.37 -2.27 0.00 0.00 179.45 178.26 2wby h GLN 736 N -0.10 0.41 -0.40 1.90 -0.00 -1.99 -1.08 115.11 113.84 2wby h GLN 736 Ca 0.23 -0.05 -0.00 0.00 -0.00 0.00 0.00 58.65 58.83 2wby h GLN 736 Cb 0.46 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.84 2wby h GLN 736 CO -0.56 0.35 0.23 0.00 0.00 0.00 0.00 178.83 178.85 2wby h ALA 737 N 1.04 1.65 -0.11 3.38 0.00 -1.58 -1.59 119.26 122.05 2wby h ALA 737 Ca 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2wby h ALA 737 Cb 0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2wby h ALA 737 CO -0.02 0.30 0.03 0.00 0.00 0.00 0.00 179.25 179.57 2wby h ALA 738 N 1.70 0.15 -1.00 0.00 0.00 0.17 0.11 119.26 120.39 2wby h ALA 738 Ca 0.15 -0.13 0.18 0.00 0.00 0.00 0.00 54.91 55.10 2wby h ALA 738 Cb -0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.64 2wby h ALA 738 CO -0.03 -0.23 0.61 -0.07 0.00 0.00 0.00 179.25 179.53 2wby h LEU 739 N -0.02 0.80 -0.63 0.00 3.38 -0.94 0.67 115.31 118.57 2wby h LEU 739 Ca 0.04 0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 2wby h LEU 739 Cb 0.24 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2wby h LEU 739 CO -0.00 0.31 0.12 1.23 0.09 0.00 0.00 178.44 180.19 2wby h GLY 740 N 0.80 1.11 0.99 0.83 0.00 -0.56 -0.83 103.07 105.40 2wby h GLY 740 Ca 0.56 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2wby h GLY 740 CO -0.36 0.67 0.08 -2.22 0.00 0.00 0.00 176.54 174.71 2wby h ILE 741 N 0.94 1.04 0.04 2.60 1.08 0.13 -1.63 117.51 121.72 2wby h ILE 741 Ca 0.19 -0.10 -0.00 0.00 -0.39 0.00 0.00 64.86 64.56 2wby h ILE 741 Cb 0.41 0.90 0.00 0.00 -3.07 0.00 0.00 36.82 35.05 2wby h ILE 741 CO 0.01 0.04 -0.02 -0.03 -0.69 0.00 0.00 178.15 177.46 2wby h MET 742 N 0.15 -0.05 -0.72 2.37 4.05 -0.81 -1.18 114.93 118.73 2wby h MET 742 Ca 0.04 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.55 2wby h MET 742 Cb 0.00 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 30.75 2wby h MET 742 CO -0.01 0.01 0.38 0.37 0.23 0.00 0.00 176.91 177.89 2wby h GLN 743 N -0.10 0.64 -0.49 0.39 5.75 -1.15 0.37 115.11 120.53 2wby h GLN 743 Ca -0.01 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.38 2wby h GLN 743 Cb 0.09 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 2wby h GLN 743 CO 0.01 0.42 -0.01 1.98 -2.65 0.00 0.00 178.83 178.59 2wby h MET 744 N 0.66 0.82 0.35 1.69 4.05 -0.64 0.30 114.93 122.15 2wby h MET 744 Ca 0.35 -0.23 -0.02 0.00 -0.28 0.00 0.00 59.70 59.53 2wby h MET 744 Cb 0.33 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 2wby h MET 744 CO -0.25 0.83 -0.17 0.28 0.23 0.00 0.00 176.91 177.83 2wby h VAL 745 N 0.76 0.67 -0.20 -5.77 2.07 0.12 -1.24 116.25 112.66 2wby h VAL 745 Ca 0.15 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2wby h VAL 745 Cb 0.47 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 2wby h VAL 745 CO 0.02 0.03 -0.07 -0.33 0.02 0.00 0.00 177.57 177.24 2wby h GLU 746 N -0.54 -0.03 -0.17 1.57 5.08 -0.71 -2.23 114.58 117.53 2wby h GLU 746 Ca -0.05 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2wby h GLU 746 Cb 0.41 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2wby h GLU 746 CO 0.08 -0.02 -0.07 -0.44 -1.00 0.00 0.00 179.01 177.55 2wby h ASP 747 N -0.04 0.24 0.11 1.42 3.45 -0.17 0.21 116.42 121.64 2wby h ASP 747 Ca 0.10 -0.04 -0.18 0.00 0.43 0.00 0.00 57.03 57.35 2wby h ASP 747 Cb 0.19 -0.06 -0.00 0.00 -0.56 0.00 0.00 39.33 38.90 2wby h ASP 747 CO -0.23 0.35 -0.65 0.74 -1.57 0.00 0.00 179.24 177.88 2wby h THR 748 N 0.25 1.34 0.07 0.35 2.02 -0.91 0.11 112.91 116.14 2wby h THR 748 Ca 0.06 -1.96 -0.00 0.00 0.77 0.00 0.00 66.41 65.27 2wby h THR 748 Cb 0.30 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 2wby h THR 748 CO 0.01 0.60 -0.03 -0.07 0.37 0.00 0.00 175.52 176.40 2wby h LEU 749 N 0.37 -0.07 -0.32 2.58 3.38 -0.51 -1.24 115.31 119.50 2wby h LEU 749 Ca -0.02 -0.47 0.07 0.00 0.09 0.00 0.00 57.88 57.55 2wby h LEU 749 Cb 1.22 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.90 2wby h LEU 749 CO 0.12 0.46 -0.30 0.40 0.09 0.00 0.00 178.44 179.20 2wby h ILE 750 N -0.64 0.28 -0.30 1.22 2.04 -0.68 0.63 117.51 120.05 2wby h ILE 750 Ca -0.01 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.92 2wby h ILE 750 Cb 0.54 0.28 -0.08 0.00 -0.74 0.00 0.00 36.82 36.82 2wby h ILE 750 CO 0.01 0.00 -0.31 -0.33 0.00 0.00 0.00 178.15 177.53 2wby h GLU 751 N -0.27 -0.28 0.00 2.37 4.39 -0.76 -1.78 114.58 118.25 2wby h GLU 751 Ca 0.15 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.87 2wby h GLU 751 Cb 0.52 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2wby h GLU 751 CO -0.47 -0.18 -1.70 0.72 -1.16 0.00 0.00 179.01 176.22 2wby n HIS 752 N -5.41 0.00 0.07 4.33 8.25 -0.47 -4.48 115.22 117.52 2wby n HIS 752 Ca -0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.47 2wby n HIS 752 Cb 0.33 -0.36 -0.02 0.00 1.12 0.00 0.00 29.99 31.06 2wby n HIS 752 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wby n ALA 753 N -2.03 2.27 -2.06 -1.41 0.00 0.21 -4.83 120.51 112.66 2wby n ALA 753 Ca -0.03 -0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 2wby n ALA 753 Cb 0.42 -0.12 -0.02 0.00 0.00 0.00 0.00 19.45 19.74 2wby n ALA 753 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wby n HIS 754 N -1.36 -0.48 -1.67 0.00 -0.00 -0.67 -4.44 115.22 106.60 2wby n HIS 754 Ca -0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 57.72 57.26 2wby n HIS 754 Cb 0.07 -2.73 -0.04 0.00 -0.00 0.00 0.00 29.99 27.29 2wby n HIS 754 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 2wby n THR 755 N -3.72 0.16 -4.47 1.59 -1.04 -1.23 -4.88 114.28 100.68 2wby n THR 755 Ca -0.15 -0.03 -0.25 0.00 -2.04 0.00 0.00 64.05 61.59 2wby n THR 755 Cb 0.58 -1.67 -0.10 0.00 -1.82 0.00 0.00 70.33 67.32 2wby n THR 755 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2wby s LYS 756 N 1.76 1.83 0.80 -2.82 1.02 0.40 -4.57 119.74 118.15 2wby s LYS 756 Ca 0.82 -1.82 -0.11 0.00 0.02 0.00 0.00 55.97 54.88 2wby s LYS 756 Cb -0.66 -1.79 0.07 0.00 -0.52 0.00 0.00 37.83 34.93 2wby s LYS 756 CO 0.41 0.23 1.11 -2.14 -0.92 0.00 0.00 175.35 174.04 2wby s PRO 757 N -3.59 1.97 0.58 -1.68 0.02 -1.26 -2.41 135.00 128.63 2wby s PRO 757 Ca 0.32 1.32 -0.08 0.00 0.02 0.00 0.00 61.00 62.58 2wby s PRO 757 Cb -0.01 -1.85 -0.01 0.00 0.02 0.00 0.00 34.50 32.64 2wby s PRO 757 CO 0.17 -1.88 0.93 -1.17 -0.33 0.00 0.00 177.00 174.71 2wby s LEU 758 N -5.98 3.29 0.34 -5.54 2.96 -1.19 -4.68 118.68 107.89 2wby s LEU 758 Ca 0.64 1.00 -0.25 0.00 -0.22 0.00 0.00 54.13 55.30 2wby s LEU 758 Cb -0.19 -3.91 -0.10 0.00 0.50 0.00 0.00 46.19 42.49 2wby s LEU 758 CO 0.55 -0.93 0.93 -0.76 -1.32 0.00 0.00 176.35 174.83 2wby s LEU 759 N -5.02 4.25 0.44 -0.68 2.01 -1.26 -4.92 118.68 113.50 2wby s LEU 759 Ca 0.53 1.78 0.23 0.00 0.01 0.00 0.00 54.13 56.68 2wby s LEU 759 Cb -0.11 -4.11 1.22 0.00 0.01 0.00 0.00 46.19 43.20 2wby s LEU 759 CO 0.48 -0.13 1.81 -0.65 1.01 0.00 0.00 176.35 178.87 2wby h PRO 760 N 2.90 0.28 0.00 1.29 0.11 -1.97 0.87 132.00 135.48 2wby h PRO 760 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2wby h PRO 760 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2wby h PRO 760 CO 0.64 0.18 0.00 -1.13 -0.21 0.00 0.00 178.00 177.48 2wby n SER 761 N -4.49 0.00 -0.17 -2.05 3.41 -1.26 -2.41 113.62 106.65 2wby n SER 761 Ca 0.23 0.18 0.12 0.00 -0.26 0.00 0.00 58.87 59.15 2wby n SER 761 Cb 0.91 -0.38 0.31 0.00 -0.26 0.00 0.00 64.21 64.79 2wby n SER 761 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wby n GLN 762 N -1.38 0.55 -1.63 4.33 6.02 0.30 -4.57 117.38 121.00 2wby n GLN 762 Ca 0.10 -0.34 -0.41 0.00 -0.01 0.00 0.00 57.00 56.34 2wby n GLN 762 Cb 0.25 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 30.01 2wby n GLN 762 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2wby n LEU 763 N -0.93 7.73 -4.54 1.08 4.77 -1.01 -4.84 117.00 119.26 2wby n LEU 763 Ca 0.10 -4.34 -0.43 0.00 -0.03 0.00 0.00 56.01 51.31 2wby n LEU 763 Cb 0.35 -1.58 -0.05 0.00 -2.33 0.00 0.00 43.42 39.81 2wby n LEU 763 CO 0.29 1.60 0.68 0.54 -1.33 0.00 0.00 177.39 179.18 2wby s VAL 764 N 2.20 4.51 0.28 4.08 0.11 -1.26 -5.05 120.40 125.26 2wby s VAL 764 Ca 0.56 0.46 -0.26 0.00 -2.93 0.00 0.00 61.98 59.80 2wby s VAL 764 Cb 0.16 -4.43 -0.09 0.00 -1.53 0.00 0.00 36.38 30.48 2wby s VAL 764 CO -0.07 -0.90 0.91 -0.13 -3.33 0.00 0.00 175.10 171.58 2wby s ARG 765 N 3.65 4.62 0.49 1.54 1.81 -1.26 -5.05 118.95 124.75 2wby s ARG 765 Ca 0.32 1.31 -0.18 0.00 -1.72 0.00 0.00 55.73 55.46 2wby s ARG 765 Cb -0.12 -2.97 -0.09 0.00 -0.45 0.00 0.00 34.95 31.33 2wby s ARG 765 CO 0.22 0.37 0.97 0.71 -0.68 0.00 0.00 175.30 176.90 2wby s TYR 766 N -1.46 3.41 0.23 -0.53 4.12 -1.26 -5.02 117.35 116.84 2wby s TYR 766 Ca 0.46 1.50 0.06 0.00 0.02 0.00 0.00 57.07 59.10 2wby s TYR 766 Cb -0.21 -2.80 -0.03 0.00 -1.52 0.00 0.00 41.96 37.40 2wby s TYR 766 CO 0.26 -0.29 0.26 1.03 0.02 0.00 0.00 175.55 176.83 2wby s ARG 767 N -3.80 3.17 -0.08 -0.62 0.52 -1.26 -4.84 118.95 112.04 2wby s ARG 767 Ca 0.60 -0.88 -0.08 0.00 -0.52 0.00 0.00 55.73 54.84 2wby s ARG 767 Cb -0.10 -2.73 -0.04 0.00 0.52 0.00 0.00 34.95 32.60 2wby s ARG 767 CO 0.26 0.43 0.21 -2.00 0.02 0.00 0.00 175.30 174.22 2wby s GLU 768 N -3.77 3.55 0.22 3.54 2.12 -1.26 -0.78 118.70 122.32 2wby s GLU 768 Ca 0.33 -0.02 -0.31 0.00 0.36 0.00 0.00 54.97 55.33 2wby s GLU 768 Cb -0.09 -3.18 -0.15 0.00 0.26 0.00 0.00 34.13 30.97 2wby s GLU 768 CO 0.27 0.75 1.22 0.28 -0.54 0.00 0.00 175.26 177.23 2wby n VAL 769 N 1.83 1.11 -3.53 3.70 0.31 -0.66 -0.17 118.33 120.92 2wby n VAL 769 Ca -0.18 -0.28 -0.42 0.00 -0.01 0.00 0.00 64.34 63.46 2wby n VAL 769 Cb 0.54 -1.08 -0.09 0.00 -0.91 0.00 0.00 33.84 32.30 2wby n VAL 769 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2wby s GLN 770 N -0.60 2.76 0.31 5.55 0.74 0.09 -4.69 119.66 123.82 2wby s GLN 770 Ca 0.69 -1.36 -0.29 0.00 0.05 0.00 0.00 55.36 54.45 2wby s GLN 770 Cb -0.76 -3.89 -0.10 0.00 1.10 0.00 0.00 33.01 29.36 2wby s GLN 770 CO 0.53 -0.94 1.27 -0.51 -0.55 0.00 0.00 175.29 175.09 2wby s LEU 771 N 1.52 4.45 0.28 3.68 1.02 -1.26 -4.21 118.68 124.15 2wby s LEU 771 Ca 0.03 2.58 -0.29 0.00 0.02 0.00 0.00 54.13 56.47 2wby s LEU 771 Cb -0.23 -3.64 -0.09 0.00 0.02 0.00 0.00 46.19 42.25 2wby s LEU 771 CO 0.04 -0.47 1.07 -2.16 0.02 0.00 0.00 176.35 174.86 2wby s PRO 772 N -1.51 4.67 -0.16 1.29 0.04 -1.26 -4.96 135.00 133.10 2wby s PRO 772 Ca 0.49 1.74 -0.31 0.00 0.04 0.00 0.00 61.00 62.96 2wby s PRO 772 Cb -0.38 -3.19 -0.15 0.00 0.04 0.00 0.00 34.50 30.83 2wby s PRO 772 CO 0.49 0.26 0.95 -0.25 0.04 0.00 0.00 177.00 178.49 2wby n ASP 773 N 1.21 0.39 -0.46 6.66 10.43 -1.26 -0.39 116.55 133.12 2wby n ASP 773 Ca -0.01 0.86 -0.06 0.00 2.57 0.00 0.00 54.79 58.14 2wby n ASP 773 Cb 0.45 -0.66 -0.03 0.00 1.84 0.00 0.00 41.12 42.73 2wby n ASP 773 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2wby n ARG 774 N 1.91 -1.47 -2.70 -1.24 1.74 0.73 -4.92 116.66 110.71 2wby n ARG 774 Ca 0.18 0.65 -0.33 0.00 -0.77 0.00 0.00 57.85 57.58 2wby n ARG 774 Cb 0.01 -4.87 -0.05 0.00 -1.02 0.00 0.00 32.46 26.53 2wby n ARG 774 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2wby s GLY 775 N -2.29 2.44 -0.07 -0.13 0.00 0.47 -4.98 107.32 102.76 2wby s GLY 775 Ca 0.00 0.49 -0.03 0.00 0.00 0.00 0.00 44.72 45.18 2wby s GLY 775 CO 0.00 0.79 0.07 0.86 0.00 0.00 0.00 173.10 174.81 2wby s TRP 776 N -2.09 0.11 -0.03 1.90 -0.00 -1.25 -2.32 118.94 115.26 2wby s TRP 776 Ca 0.64 0.11 0.07 0.00 -0.00 0.00 0.00 56.10 56.92 2wby s TRP 776 Cb -0.12 -0.54 -0.02 0.00 -0.00 0.00 0.00 33.47 32.79 2wby s TRP 776 CO 0.16 -0.27 -0.26 -0.06 -0.00 0.00 0.00 176.95 176.52 2wby s PHE 777 N 2.16 2.37 -0.08 5.86 0.40 -0.58 -0.92 117.98 127.18 2wby s PHE 777 Ca 0.04 -0.54 0.03 0.00 -0.60 0.00 0.00 56.93 55.86 2wby s PHE 777 Cb -0.13 -1.54 0.00 0.00 0.51 0.00 0.00 43.02 41.87 2wby s PHE 777 CO -0.05 -0.10 -0.19 0.08 0.70 0.00 0.00 175.22 175.66 2wby s VAL 778 N -0.45 1.68 -0.06 -0.44 1.01 -0.67 -0.76 120.40 120.70 2wby s VAL 778 Ca 0.05 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.26 2wby s VAL 778 Cb -0.11 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 2wby s VAL 778 CO 0.01 0.47 -0.15 -0.47 0.00 0.00 0.00 175.10 174.96 2wby s TYR 779 N 0.44 2.69 -0.05 5.22 5.04 -0.26 -0.88 117.35 129.56 2wby s TYR 779 Ca -0.16 -0.28 0.01 0.00 -2.44 0.00 0.00 57.07 54.20 2wby s TYR 779 Cb -0.17 -1.66 0.02 0.00 0.35 0.00 0.00 41.96 40.51 2wby s TYR 779 CO 0.07 0.09 -0.04 -1.14 -1.34 0.00 0.00 175.55 173.18 2wby s GLN 780 N -0.52 0.87 0.31 4.97 0.74 -1.26 -0.72 119.66 124.04 2wby s GLN 780 Ca 0.07 -0.10 0.04 0.00 0.05 0.00 0.00 55.36 55.41 2wby s GLN 780 Cb -0.12 -0.91 -0.04 0.00 1.10 0.00 0.00 33.01 33.05 2wby s GLN 780 CO 0.01 -0.11 0.17 -0.65 -0.55 0.00 0.00 175.29 174.17 2wby s GLN 781 N 1.05 1.61 -0.06 1.67 -1.52 -0.36 -4.99 119.66 117.06 2wby s GLN 781 Ca -0.09 -1.92 0.05 0.00 -1.95 0.00 0.00 55.36 51.45 2wby s GLN 781 Cb -0.14 -0.03 -0.02 0.00 -0.22 0.00 0.00 33.01 32.60 2wby s GLN 781 CO -0.01 -0.48 -0.21 0.50 -0.25 0.00 0.00 175.29 174.84 2wby s ARG 782 N -3.78 2.58 -0.10 2.91 3.52 -1.26 -0.14 118.95 122.67 2wby s ARG 782 Ca 0.36 -0.84 -0.25 0.00 -0.13 0.00 0.00 55.73 54.87 2wby s ARG 782 Cb 0.05 -2.25 -0.03 0.00 -1.56 0.00 0.00 34.95 31.16 2wby s ARG 782 CO 0.19 0.44 0.78 1.21 -0.81 0.00 0.00 175.30 177.10 2wby s ASN 783 N -0.28 7.01 0.00 -2.12 2.47 0.32 -4.86 114.94 117.47 2wby s ASN 783 Ca 0.01 1.22 0.22 0.00 0.42 0.00 0.00 52.86 54.73 2wby s ASN 783 Cb -0.13 -2.44 0.59 0.00 -1.45 0.00 0.00 41.25 37.82 2wby s ASN 783 CO 0.03 -0.25 1.48 -0.62 -3.72 0.00 0.00 177.10 174.02 2wby n GLU 784 N 4.39 2.07 -0.00 0.43 1.02 -1.26 -2.21 120.64 125.08 2wby n GLU 784 Ca 0.02 -1.61 -0.00 0.00 -0.02 0.00 0.00 57.16 55.55 2wby n GLU 784 Cb 0.50 -1.45 -0.00 0.00 -0.02 0.00 0.00 31.44 30.47 2wby n GLU 784 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wby n VAL 785 N 0.85 0.01 -3.31 2.62 0.31 -1.26 -4.87 118.33 112.67 2wby n VAL 785 Ca 0.17 -0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.12 2wby n VAL 785 Cb 0.46 -1.05 -0.06 0.00 -0.91 0.00 0.00 33.84 32.28 2wby n VAL 785 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2wby s HIS 786 N -2.00 3.59 -0.28 3.52 3.76 -1.26 -4.91 115.29 117.70 2wby s HIS 786 Ca -0.00 0.99 -0.02 0.00 -0.15 0.00 0.00 55.06 55.88 2wby s HIS 786 Cb 0.00 -2.53 0.09 0.00 1.11 0.00 0.00 32.58 31.25 2wby s HIS 786 CO 0.00 0.28 2.40 -1.71 -0.85 0.00 0.00 174.74 174.86 2wby n ASN 787 N 3.17 6.21 -4.43 1.40 5.15 -1.26 -1.62 115.26 123.88 2wby n ASN 787 Ca -0.08 -2.96 -0.21 0.00 -0.60 0.00 0.00 54.58 50.72 2wby n ASN 787 Cb 0.52 -1.15 -0.10 0.00 -0.53 0.00 0.00 39.78 38.51 2wby n ASN 787 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2wby s ASN 788 N 0.64 2.74 0.30 1.20 -0.87 -1.26 -4.82 114.94 112.87 2wby s ASN 788 Ca 0.39 -1.20 0.08 0.00 -1.57 0.00 0.00 52.86 50.56 2wby s ASN 788 Cb 0.26 -0.16 -0.04 0.00 -0.02 0.00 0.00 41.25 41.29 2wby s ASN 788 CO -0.06 -0.36 0.13 -0.94 -2.57 0.00 0.00 177.10 173.29 2wby s SER 789 N -3.45 4.89 0.11 -1.22 1.04 0.14 -3.29 113.70 111.92 2wby s SER 789 Ca 0.30 -0.59 0.03 0.00 0.48 0.00 0.00 55.95 56.17 2wby s SER 789 Cb 0.04 -0.93 -0.04 0.00 0.10 0.00 0.00 66.02 65.19 2wby s SER 789 CO 0.12 -0.16 -0.08 -0.83 0.98 0.00 0.00 173.24 173.27 2wby s GLY 790 N -3.81 0.86 -0.04 7.32 0.00 -0.57 -1.14 107.32 109.94 2wby s GLY 790 Ca 0.35 -1.34 -0.08 0.00 0.00 0.00 0.00 44.72 43.65 2wby s GLY 790 CO 0.23 -1.44 0.18 -1.50 0.00 0.00 0.00 173.10 170.57 2wby s ILE 791 N -3.26 0.04 -0.08 0.90 2.07 -0.77 -0.13 121.20 119.98 2wby s ILE 791 Ca 0.11 -0.33 0.01 0.00 -1.41 0.00 0.00 60.65 59.04 2wby s ILE 791 Cb 0.03 -0.38 0.02 0.00 0.13 0.00 0.00 42.46 42.26 2wby s ILE 791 CO -0.02 -0.18 -0.10 -0.70 -1.91 0.00 0.00 174.94 172.03 2wby s GLU 792 N -0.63 1.50 -0.12 3.50 2.12 -0.78 -2.27 118.70 122.02 2wby s GLU 792 Ca -0.07 -0.31 -0.01 0.00 0.36 0.00 0.00 54.97 54.93 2wby s GLU 792 Cb -0.04 -1.37 -0.02 0.00 0.26 0.00 0.00 34.13 32.96 2wby s GLU 792 CO 0.01 -0.08 -0.08 0.42 -0.54 0.00 0.00 175.26 175.00 2wby s ILE 793 N 1.02 3.56 -0.12 -3.70 1.01 0.27 -0.90 121.20 122.34 2wby s ILE 793 Ca -0.08 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2wby s ILE 793 Cb -0.15 -2.51 0.02 0.00 0.01 0.00 0.00 42.46 39.83 2wby s ILE 793 CO -0.00 0.53 -0.11 -0.47 0.00 0.00 0.00 174.94 174.89 2wby s TYR 794 N 0.04 1.77 -0.55 3.97 5.04 0.31 -1.43 117.35 126.51 2wby s TYR 794 Ca -0.02 -0.91 -0.12 0.00 -2.44 0.00 0.00 57.07 53.58 2wby s TYR 794 Cb -0.14 -1.37 0.14 0.00 0.35 0.00 0.00 41.96 40.94 2wby s TYR 794 CO 0.03 -0.54 0.46 0.71 -1.34 0.00 0.00 175.55 174.88 2wby s TYR 795 N 1.45 3.40 0.10 4.97 1.51 0.15 -1.75 117.35 127.17 2wby s TYR 795 Ca 0.02 -1.70 -0.31 0.00 -1.01 0.00 0.00 57.07 54.07 2wby s TYR 795 Cb -0.13 -3.65 -0.07 0.00 -0.11 0.00 0.00 41.96 38.00 2wby s TYR 795 CO -0.07 -1.00 1.36 -1.14 -1.11 0.00 0.00 175.55 173.59 2wby s GLN 796 N 1.24 4.33 0.00 -0.62 0.74 0.69 0.18 119.66 126.23 2wby s GLN 796 Ca 0.07 2.02 0.00 0.00 0.05 0.00 0.00 55.36 57.50 2wby s GLN 796 Cb -0.25 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.57 2wby s GLN 796 CO -0.00 -0.42 0.00 0.25 -0.55 0.00 0.00 175.29 174.57 2wby n THR 797 N 4.00 0.00 -3.90 -0.34 -2.24 0.56 -4.09 114.28 108.27 2wby n THR 797 Ca 0.11 0.32 -0.02 0.00 -2.27 0.00 0.00 64.05 62.19 2wby n THR 797 Cb 0.43 -1.31 0.02 0.00 -2.10 0.00 0.00 70.33 67.37 2wby n THR 797 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2wby n ASP 798 N -2.15 -1.57 -4.69 3.42 -0.08 -1.16 -5.01 116.55 105.31 2wby n ASP 798 Ca 0.00 -1.76 -0.39 0.00 -1.51 0.00 0.00 54.79 51.13 2wby n ASP 798 Cb 0.00 2.54 0.04 0.00 2.34 0.00 0.00 41.12 46.04 2wby n ASP 798 CO 0.00 0.00 0.00 0.80 0.12 0.00 0.00 177.20 178.12 2wby n MET 799 N -0.72 1.39 -2.21 -0.67 0.00 -1.26 -2.39 117.12 111.25 2wby n MET 799 Ca -0.01 0.52 -0.37 0.00 0.00 0.00 0.00 57.70 57.83 2wby n MET 799 Cb 0.56 -2.38 -0.01 0.00 0.00 0.00 0.00 33.22 31.39 2wby n MET 799 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2wby s GLN 800 N -2.75 3.72 -0.08 2.12 -0.21 0.17 -4.84 119.66 117.79 2wby s GLN 800 Ca 0.72 1.82 -0.30 0.00 0.02 0.00 0.00 55.36 57.63 2wby s GLN 800 Cb -0.43 -2.41 0.11 0.00 1.00 0.00 0.00 33.01 31.28 2wby s GLN 800 CO 0.49 -0.59 0.96 -1.54 -2.12 0.00 0.00 175.29 172.48 2wby s SER 801 N -1.30 -0.34 0.21 5.90 1.04 -1.26 -4.97 113.70 112.97 2wby s SER 801 Ca 0.64 0.14 -0.10 0.00 0.48 0.00 0.00 55.95 57.11 2wby s SER 801 Cb -0.30 0.33 0.29 0.00 0.10 0.00 0.00 66.02 66.44 2wby s SER 801 CO 0.36 -0.49 1.26 0.41 0.98 0.00 0.00 173.24 175.76 2wby n THR 802 N 0.11 -0.38 0.01 2.02 -1.04 -1.26 0.67 114.28 114.42 2wby n THR 802 Ca -0.08 1.87 -0.18 0.00 -2.04 0.00 0.00 64.05 63.62 2wby n THR 802 Cb 0.60 -2.53 -0.12 0.00 -1.82 0.00 0.00 70.33 66.46 2wby n THR 802 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2wby h SER 803 N 0.00 0.49 -0.73 8.00 4.64 -1.98 -2.66 113.55 121.31 2wby h SER 803 Ca 0.34 -0.81 -0.03 0.00 -0.47 0.00 0.00 61.79 60.82 2wby h SER 803 Cb 0.54 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.44 2wby h SER 803 CO -0.82 1.25 0.36 -0.33 -0.87 0.00 0.00 176.83 176.42 2wby h GLU 804 N -0.20 1.05 -0.72 4.77 4.39 -1.75 -0.52 114.58 121.61 2wby h GLU 804 Ca -0.09 -0.15 0.07 0.00 0.34 0.00 0.00 59.36 59.53 2wby h GLU 804 Cb 1.38 -0.19 -0.06 0.00 -0.10 0.00 0.00 28.75 29.78 2wby h GLU 804 CO 0.12 0.82 0.40 -0.91 -1.16 0.00 0.00 179.01 178.28 2wby h ASN 805 N 1.02 0.58 0.69 1.42 -0.26 0.21 -2.40 115.58 116.84 2wby h ASN 805 Ca 0.25 0.04 -0.26 0.00 -0.56 0.00 0.00 56.30 55.76 2wby h ASN 805 Cb 0.11 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.28 2wby h ASN 805 CO -0.03 0.36 -1.30 0.24 -1.06 0.00 0.00 177.43 175.64 2wby h MET 806 N 0.71 0.13 -0.16 0.81 2.86 -1.09 -0.00 114.93 118.20 2wby h MET 806 Ca 0.33 -0.23 0.05 0.00 -2.06 0.00 0.00 59.70 57.79 2wby h MET 806 Cb 0.24 0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.93 2wby h MET 806 CO -0.21 1.02 -0.21 0.74 1.06 0.00 0.00 176.91 179.31 2wby h PHE 807 N 0.04 -0.56 -0.31 -0.22 0.05 -1.04 -0.19 116.94 114.70 2wby h PHE 807 Ca -0.14 0.03 -0.11 0.00 3.82 0.00 0.00 57.97 61.57 2wby h PHE 807 Cb 1.92 0.27 -0.01 0.00 2.00 0.00 0.00 35.95 40.13 2wby h PHE 807 CO 0.03 -0.29 -0.25 1.25 -0.18 0.00 0.00 178.31 178.88 2wby h LEU 808 N -0.25 0.62 -0.36 1.54 5.85 -1.35 -0.66 115.31 120.70 2wby h LEU 808 Ca 0.11 -0.22 -0.19 0.00 0.84 0.00 0.00 57.88 58.42 2wby h LEU 808 Cb 0.42 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2wby h LEU 808 CO -0.31 0.85 -0.80 -0.33 -0.34 0.00 0.00 178.44 177.52 2wby h GLU 809 N 0.54 0.31 0.00 1.25 5.08 -0.71 -1.17 114.58 119.89 2wby h GLU 809 Ca 0.08 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2wby h GLU 809 Cb 0.71 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2wby h GLU 809 CO 0.05 0.96 -0.00 1.25 -1.00 0.00 0.00 179.01 180.27 2wby h LEU 810 N 0.19 -0.00 -0.53 1.33 6.46 -0.70 -1.48 115.31 120.58 2wby h LEU 810 Ca -0.04 -0.50 0.09 0.00 -0.12 0.00 0.00 57.88 57.31 2wby h LEU 810 Cb 1.39 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 41.25 2wby h LEU 810 CO 0.13 0.50 0.13 0.15 -0.62 0.00 0.00 178.44 178.72 2wby h PHE 811 N -0.50 0.21 -0.38 1.25 3.04 -1.15 0.51 116.94 119.92 2wby h PHE 811 Ca -0.00 0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.02 2wby h PHE 811 Cb 0.50 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.96 2wby h PHE 811 CO 0.10 0.01 0.16 0.00 -2.02 0.00 0.00 178.31 176.56 2wby h ALA 812 N 1.40 0.46 -0.68 2.41 0.00 -1.08 -1.29 119.26 120.48 2wby h ALA 812 Ca 0.27 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.26 2wby h ALA 812 Cb 0.36 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2wby h ALA 812 CO -0.33 -0.22 0.39 0.37 0.00 0.00 0.00 179.25 179.46 2wby h GLN 813 N 0.33 0.71 -0.64 0.00 5.75 -0.74 0.21 115.11 120.73 2wby h GLN 813 Ca 0.17 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.57 2wby h GLN 813 Cb 0.12 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 2wby h GLN 813 CO -0.15 0.47 0.16 0.82 -2.65 0.00 0.00 178.83 177.48 2wby h ILE 814 N 0.73 1.25 -0.00 2.39 2.04 0.22 -2.95 117.51 121.19 2wby h ILE 814 Ca 0.30 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.26 2wby h ILE 814 Cb 0.15 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2wby h ILE 814 CO -0.17 0.34 -0.74 2.30 0.00 0.00 0.00 178.15 179.88 2wby n ILE 815 N -4.25 0.00 0.00 -0.67 -5.35 -0.84 -4.51 119.36 103.74 2wby n ILE 815 Ca 0.05 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 2wby n ILE 815 Cb 0.24 0.89 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 2wby n ILE 815 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2wby n SER 816 N -1.09 0.00 0.05 7.28 2.88 0.03 0.10 113.62 122.88 2wby n SER 816 Ca 0.06 0.96 -0.10 0.00 -1.33 0.00 0.00 58.87 58.46 2wby n SER 816 Cb 0.36 -0.46 0.03 0.00 -0.75 0.00 0.00 64.21 63.39 2wby n SER 816 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2wby h GLU 817 N 0.00 0.40 -0.97 -1.46 -0.00 -1.80 -2.60 114.58 108.16 2wby h GLU 817 Ca 0.00 -0.33 0.19 0.00 -0.00 0.00 0.00 59.36 59.22 2wby h GLU 817 Cb 0.00 0.07 -0.09 0.00 -0.00 0.00 0.00 28.75 28.73 2wby h GLU 817 CO 0.00 0.97 0.61 -1.35 -0.00 0.00 0.00 179.01 179.24 2wby h PRO 818 N 0.27 0.63 -0.61 1.06 0.11 -1.77 0.12 132.00 131.81 2wby h PRO 818 Ca -0.03 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 2wby h PRO 818 Cb 1.32 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2wby h PRO 818 CO 0.13 0.41 0.36 0.00 -0.21 0.00 0.00 178.00 178.69 2wby h ALA 819 N 1.62 0.77 -0.27 -0.75 0.00 0.07 -0.16 119.26 120.54 2wby h ALA 819 Ca 0.53 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.28 2wby h ALA 819 Cb 0.97 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2wby h ALA 819 CO -0.29 0.26 -0.14 0.35 0.00 0.00 0.00 179.25 179.44 2wby h PHE 820 N 0.82 0.66 -0.48 0.00 3.57 -1.24 -0.83 116.94 119.43 2wby h PHE 820 Ca 0.22 -0.17 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 2wby h PHE 820 Cb -0.00 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 2wby h PHE 820 CO -0.02 0.82 0.07 -0.97 -2.23 0.00 0.00 178.31 175.98 2wby h ASN 821 N 0.30 0.71 0.00 0.41 -0.00 -0.15 -0.38 115.58 116.47 2wby h ASN 821 Ca 0.06 -0.14 -0.00 0.00 -0.00 0.00 0.00 56.30 56.21 2wby h ASN 821 Cb 0.65 -0.19 -0.00 0.00 -0.00 0.00 0.00 38.32 38.79 2wby h ASN 821 CO 0.04 0.74 -0.06 0.74 -0.00 0.00 0.00 177.43 178.89 2wby h THR 822 N 0.72 0.33 -0.03 -3.57 2.02 -1.00 0.83 112.91 112.22 2wby h THR 822 Ca 0.15 -1.26 -0.17 0.00 0.77 0.00 0.00 66.41 65.91 2wby h THR 822 Cb 0.35 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2wby h THR 822 CO 0.01 0.11 -0.73 -0.07 0.37 0.00 0.00 175.52 175.21 2wby h LEU 823 N -1.00 0.20 0.00 2.58 4.07 -1.22 0.22 115.31 120.16 2wby h LEU 823 Ca -0.01 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.81 2wby h LEU 823 Cb 0.23 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.91 2wby h LEU 823 CO -0.00 0.86 -0.17 -1.14 -1.08 0.00 0.00 178.44 176.92 2wby n ARG 824 N -3.75 0.09 0.15 1.13 0.63 -0.21 -1.13 116.66 113.57 2wby n ARG 824 Ca -0.03 0.09 -0.14 0.00 -0.92 0.00 0.00 57.85 56.86 2wby n ARG 824 Cb 0.71 -0.73 -0.07 0.00 0.45 0.00 0.00 32.46 32.82 2wby n ARG 824 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 2wby h THR 825 N -0.18 0.69 0.35 5.15 2.02 -1.11 0.58 112.91 120.40 2wby h THR 825 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2wby h THR 825 Cb 0.17 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2wby h THR 825 CO 0.00 0.00 -0.17 0.11 0.37 0.00 0.00 175.52 175.83 2wby h LYS 826 N -0.36 -0.46 0.00 6.66 1.57 0.67 -3.38 116.57 121.28 2wby h LYS 826 Ca -0.02 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2wby h LYS 826 Cb 0.31 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2wby h LYS 826 CO 0.01 -0.30 -0.58 0.93 -0.57 0.00 0.00 179.45 178.93 2wby h GLU 827 N -0.74 0.00 -6.22 3.15 5.08 -0.63 -3.48 114.58 111.74 2wby h GLU 827 Ca -0.05 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.86 2wby h GLU 827 Cb 0.36 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.63 2wby h GLU 827 CO 0.08 0.00 -0.83 1.04 -1.00 0.00 0.00 179.01 178.30 2wby n GLN 828 N -2.15 -4.60 -0.05 2.33 1.13 0.20 -4.90 117.38 109.34 2wby n GLN 828 Ca 0.03 0.56 -0.04 0.00 -1.94 0.00 0.00 57.00 55.61 2wby n GLN 828 Cb 0.44 -5.08 0.17 0.00 0.11 0.00 0.00 30.24 25.89 2wby n GLN 828 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2wby h LEU 829 N -1.88 0.65 0.00 1.08 3.38 -1.30 -3.48 115.31 113.75 2wby h LEU 829 Ca -0.61 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.17 2wby h LEU 829 Cb 1.37 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2wby h LEU 829 CO 0.60 0.81 0.00 0.61 0.09 0.00 0.00 178.44 180.55 2wby n GLY 830 N -0.48 0.09 0.19 0.83 0.00 -1.25 -3.97 105.19 100.59 2wby n GLY 830 Ca 0.01 -0.95 -0.07 0.00 0.00 0.00 0.00 46.02 45.01 2wby n GLY 830 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2wby h TYR 831 N 0.00 0.49 -3.63 1.61 3.20 -1.82 -3.41 116.97 113.41 2wby h TYR 831 Ca 0.00 -0.17 -0.63 0.00 3.14 0.00 0.00 58.73 61.07 2wby h TYR 831 Cb 0.00 -0.09 -0.14 0.00 1.54 0.00 0.00 36.73 38.04 2wby h TYR 831 CO 0.00 0.85 -0.08 0.42 -1.64 0.00 0.00 178.16 177.71 2wby s ILE 832 N -3.94 5.08 -0.07 1.81 1.01 -1.26 -5.02 121.20 118.81 2wby s ILE 832 Ca -0.06 0.65 -0.03 0.00 0.00 0.00 0.00 60.65 61.21 2wby s ILE 832 Cb 0.12 -3.83 0.04 0.00 0.01 0.00 0.00 42.46 38.80 2wby s ILE 832 CO 0.81 0.02 0.14 -0.69 0.00 0.00 0.00 174.94 175.22 2wby s VAL 833 N 2.27 -0.21 0.01 2.92 1.01 -1.26 -1.39 120.40 123.75 2wby s VAL 833 Ca 0.19 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.54 2wby s VAL 833 Cb -0.16 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 2wby s VAL 833 CO 0.11 0.15 -0.07 0.12 0.00 0.00 0.00 175.10 175.40 2wby s PHE 834 N 2.15 0.62 0.08 5.22 5.36 0.25 -4.92 117.98 126.75 2wby s PHE 834 Ca 0.02 -0.22 0.01 0.00 -0.96 0.00 0.00 56.93 55.78 2wby s PHE 834 Cb -0.12 -0.39 -0.04 0.00 -0.34 0.00 0.00 43.02 42.13 2wby s PHE 834 CO -0.05 -0.02 -0.05 -1.54 -1.46 0.00 0.00 175.22 172.10 2wby s SER 835 N -0.56 0.86 0.00 6.13 1.04 -1.26 -1.13 113.70 118.78 2wby s SER 835 Ca -0.01 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.41 2wby s SER 835 Cb -0.05 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.22 2wby s SER 835 CO 0.00 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2wby n GLY 836 N 0.01 0.59 3.77 7.32 0.00 -0.75 -4.99 105.19 111.14 2wby n GLY 836 Ca -0.12 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 2wby n GLY 836 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wby s PRO 837 N -1.64 4.14 -0.16 1.61 0.02 -1.26 -0.96 135.00 136.75 2wby s PRO 837 Ca 0.00 2.54 -0.03 0.00 0.02 0.00 0.00 61.00 63.52 2wby s PRO 837 Cb 0.00 -3.00 -0.02 0.00 0.02 0.00 0.00 34.50 31.50 2wby s PRO 837 CO 0.00 -0.53 -0.05 0.50 -0.33 0.00 0.00 177.00 176.59 2wby s ARG 838 N -1.54 3.61 -0.13 5.54 3.52 0.14 -4.80 118.95 125.28 2wby s ARG 838 Ca 0.56 -0.55 0.01 0.00 -0.13 0.00 0.00 55.73 55.62 2wby s ARG 838 Cb -0.46 -2.90 0.02 0.00 -1.56 0.00 0.00 34.95 30.05 2wby s ARG 838 CO 0.57 0.18 -0.15 1.03 -0.81 0.00 0.00 175.30 176.13 2wby s ARG 839 N 0.50 2.30 -0.08 5.12 3.00 -1.26 -1.55 118.95 126.98 2wby s ARG 839 Ca -0.04 -0.57 -0.04 0.00 0.00 0.00 0.00 55.73 55.07 2wby s ARG 839 Cb -0.14 -2.03 0.03 0.00 0.00 0.00 0.00 34.95 32.81 2wby s ARG 839 CO 0.03 -0.15 0.18 0.00 0.00 0.00 0.00 175.30 175.36 2wby s ALA 840 N 1.23 -0.40 -1.68 2.13 0.00 -0.61 -4.97 121.76 117.47 2wby s ALA 840 Ca -0.01 0.71 -0.01 0.00 0.00 0.00 0.00 51.96 52.65 2wby s ALA 840 Cb -0.14 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.53 2wby s ALA 840 CO -0.06 -0.15 0.16 0.09 0.00 0.00 0.00 175.76 175.80 2wby n ASN 841 N 3.84 -5.83 0.00 0.00 3.02 -1.26 -0.15 115.26 114.87 2wby n ASN 841 Ca -0.22 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 2wby n ASN 841 Cb 0.54 -4.82 0.00 0.00 -0.61 0.00 0.00 39.78 34.89 2wby n ASN 841 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wby n GLY 842 N -1.13 1.27 3.82 7.41 0.00 -1.26 -4.51 105.19 110.79 2wby n GLY 842 Ca -0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 2wby n GLY 842 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wby s ILE 843 N -2.52 2.51 0.23 -0.61 -1.09 0.78 0.43 121.20 120.94 2wby s ILE 843 Ca 0.00 -1.48 -0.22 0.00 -2.23 0.00 0.00 60.65 56.72 2wby s ILE 843 Cb 0.00 -2.99 0.04 0.00 -1.58 0.00 0.00 42.46 37.93 2wby s ILE 843 CO 0.00 0.00 0.67 0.00 -1.23 0.00 0.00 174.94 174.38 2wby s GLN 844 N -4.05 1.57 0.00 2.79 -2.07 -1.01 -1.57 119.66 115.33 2wby s GLN 844 Ca 0.45 -0.77 0.00 0.00 -1.82 0.00 0.00 55.36 53.23 2wby s GLN 844 Cb -0.00 0.60 0.00 0.00 -1.09 0.00 0.00 33.01 32.52 2wby s GLN 844 CO 0.26 -0.71 0.00 0.41 -1.32 0.00 0.00 175.29 173.93 2wby n GLY 845 N -0.43 0.60 3.61 2.60 0.00 -0.60 -0.32 105.19 110.65 2wby n GLY 845 Ca -0.10 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 2wby n GLY 845 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wby s LEU 846 N 0.00 3.50 0.15 0.99 0.20 0.13 0.24 118.68 123.89 2wby s LEU 846 Ca 0.00 0.04 0.08 0.00 0.69 0.00 0.00 54.13 54.94 2wby s LEU 846 Cb 0.00 -1.83 -0.04 0.00 -0.43 0.00 0.00 46.19 43.89 2wby s LEU 846 CO 0.00 0.28 -0.19 0.00 -0.29 0.00 0.00 176.35 176.15 2wby s ARG 847 N -0.26 1.22 0.00 1.98 1.70 -0.13 0.33 118.95 123.78 2wby s ARG 847 Ca 0.06 -1.33 0.05 0.00 -0.47 0.00 0.00 55.73 54.03 2wby s ARG 847 Cb -0.12 -1.32 -0.01 0.00 -0.57 0.00 0.00 34.95 32.92 2wby s ARG 847 CO 0.02 0.28 -0.15 -0.06 -1.08 0.00 0.00 175.30 174.31 2wby s PHE 848 N -1.82 1.33 -0.07 5.89 0.40 -0.51 -1.82 117.98 121.38 2wby s PHE 848 Ca 0.13 -0.27 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 2wby s PHE 848 Cb -0.07 -0.84 0.02 0.00 0.51 0.00 0.00 43.02 42.64 2wby s PHE 848 CO 0.06 -0.01 -0.07 0.42 0.70 0.00 0.00 175.22 176.32 2wby s ILE 849 N -0.46 0.81 0.01 0.64 1.01 -0.29 -0.56 121.20 122.36 2wby s ILE 849 Ca 0.05 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.50 2wby s ILE 849 Cb -0.06 -0.82 -0.01 0.00 0.01 0.00 0.00 42.46 41.57 2wby s ILE 849 CO -0.00 0.31 -0.08 -0.63 0.00 0.00 0.00 174.94 174.53 2wby s ILE 850 N 1.24 0.62 -0.03 2.92 1.01 -0.96 -0.58 121.20 125.41 2wby s ILE 850 Ca -0.05 -0.53 0.06 0.00 0.00 0.00 0.00 60.65 60.13 2wby s ILE 850 Cb -0.14 -0.56 -0.01 0.00 0.01 0.00 0.00 42.46 41.76 2wby s ILE 850 CO -0.02 0.04 -0.20 -1.58 0.00 0.00 0.00 174.94 173.18 2wby s GLN 851 N -0.54 1.87 0.25 2.79 0.74 -0.49 -1.85 119.66 122.43 2wby s GLN 851 Ca 0.00 -0.72 -0.22 0.00 0.05 0.00 0.00 55.36 54.47 2wby s GLN 851 Cb -0.05 -1.69 0.03 0.00 1.10 0.00 0.00 33.01 32.40 2wby s GLN 851 CO 0.00 0.36 0.73 0.45 -0.55 0.00 0.00 175.29 176.28 2wby s SER 852 N -0.25 -0.29 -0.04 6.67 0.15 -0.29 -3.95 113.70 115.70 2wby s SER 852 Ca 0.02 -0.51 0.21 0.00 0.70 0.00 0.00 55.95 56.37 2wby s SER 852 Cb -0.10 0.69 -0.33 0.00 -1.71 0.00 0.00 66.02 64.57 2wby s SER 852 CO 0.01 -1.26 0.45 1.21 1.20 0.00 0.00 173.24 174.85 2wby n GLU 853 N -0.45 0.66 -2.12 5.44 2.13 -1.25 0.23 120.64 125.27 2wby n GLU 853 Ca -0.06 -0.19 -0.37 0.00 0.66 0.00 0.00 57.16 57.20 2wby n GLU 853 Cb 0.60 -1.51 0.01 0.00 0.27 0.00 0.00 31.44 30.80 2wby n GLU 853 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2wby s LYS 854 N -3.44 3.52 0.50 5.31 -0.14 -1.26 -4.78 119.74 119.44 2wby s LYS 854 Ca -0.08 1.89 -0.24 0.00 -1.36 0.00 0.00 55.97 56.18 2wby s LYS 854 Cb 0.13 -2.31 -0.07 0.00 -1.68 0.00 0.00 37.83 33.91 2wby s LYS 854 CO 0.89 -0.78 1.41 -1.25 -0.76 0.00 0.00 175.35 174.86 2wby s PRO 855 N -2.83 3.41 0.40 -1.68 0.04 -1.26 -4.66 135.00 128.43 2wby s PRO 855 Ca 0.67 2.36 0.14 0.00 0.04 0.00 0.00 61.00 64.21 2wby s PRO 855 Cb -0.31 -2.47 0.99 0.00 0.04 0.00 0.00 34.50 32.74 2wby s PRO 855 CO 0.37 -1.01 1.89 -1.35 0.04 0.00 0.00 177.00 176.94 2wby h PRO 856 N 1.91 0.48 -0.10 0.56 0.11 -1.91 -0.70 132.00 132.35 2wby h PRO 856 Ca -0.51 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 2wby h PRO 856 Cb 1.28 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2wby h PRO 856 CO 0.59 0.32 -0.10 0.45 -0.21 0.00 0.00 178.00 179.05 2wby h HIS 857 N 0.50 0.16 -0.14 0.65 3.86 -1.99 0.19 115.15 118.37 2wby h HIS 857 Ca 0.42 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.56 2wby h HIS 857 Cb 0.89 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.31 2wby h HIS 857 CO -0.00 0.26 -0.16 -0.92 0.86 0.00 0.00 177.93 177.97 2wby h TYR 858 N 0.15 0.43 -0.81 2.45 3.20 -1.52 -2.88 116.97 117.99 2wby h TYR 858 Ca 0.03 -0.13 0.12 0.00 3.14 0.00 0.00 58.73 61.89 2wby h TYR 858 Cb 0.28 -0.09 -0.08 0.00 1.54 0.00 0.00 36.73 38.38 2wby h TYR 858 CO 0.00 0.77 0.43 -0.07 -1.64 0.00 0.00 178.16 177.65 2wby h LEU 859 N -0.04 0.56 -1.04 2.82 4.07 -0.64 -0.91 115.31 120.14 2wby h LEU 859 Ca 0.02 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 2wby h LEU 859 Cb 0.71 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.38 2wby h LEU 859 CO 0.04 0.29 0.37 -0.08 -1.08 0.00 0.00 178.44 177.98 2wby h GLU 860 N 0.67 1.05 -0.26 1.13 4.57 -0.55 -1.87 114.58 119.34 2wby h GLU 860 Ca 0.42 -0.14 -0.16 0.00 -1.18 0.00 0.00 59.36 58.30 2wby h GLU 860 Cb 0.49 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 2wby h GLU 860 CO -0.30 0.80 -0.48 0.66 -1.18 0.00 0.00 179.01 178.51 2wby h SER 861 N 1.05 0.75 -0.47 1.04 4.64 -0.97 -2.51 113.55 117.08 2wby h SER 861 Ca 0.26 -0.37 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2wby h SER 861 Cb 0.08 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 2wby h SER 861 CO -0.04 1.11 0.28 0.03 -0.87 0.00 0.00 176.83 177.34 2wby h ARG 862 N 0.55 0.65 -0.83 4.77 2.47 -0.96 0.75 114.38 121.78 2wby h ARG 862 Ca 0.03 -0.07 0.05 0.00 -1.26 0.00 0.00 59.98 58.73 2wby h ARG 862 Cb 1.03 -0.13 -0.06 0.00 -1.65 0.00 0.00 29.97 29.16 2wby h ARG 862 CO 0.10 0.49 0.52 0.28 0.56 0.00 0.00 179.97 181.92 2wby h VAL 863 N 0.63 1.08 -0.30 2.04 2.07 -1.34 0.53 116.25 120.96 2wby h VAL 863 Ca 0.17 -0.34 -0.17 0.00 0.82 0.00 0.00 66.70 67.18 2wby h VAL 863 Cb 0.01 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.79 2wby h VAL 863 CO -0.03 0.18 -0.49 -0.33 0.02 0.00 0.00 177.57 176.92 2wby h GLU 864 N 0.98 0.86 -0.18 1.57 4.39 -0.77 -0.92 114.58 120.51 2wby h GLU 864 Ca 0.35 -0.53 0.04 0.00 0.34 0.00 0.00 59.36 59.57 2wby h GLU 864 Cb 0.10 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.76 2wby h GLU 864 CO -0.15 1.16 -0.11 0.00 -1.16 0.00 0.00 179.01 178.76 2wby h ALA 865 N 0.69 0.04 -0.93 3.43 0.00 0.80 -1.37 119.26 121.92 2wby h ALA 865 Ca 0.02 0.07 0.19 0.00 0.00 0.00 0.00 54.91 55.19 2wby h ALA 865 Cb 1.10 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 19.03 2wby h ALA 865 CO 0.11 -0.54 0.50 0.35 0.00 0.00 0.00 179.25 179.67 2wby h PHE 866 N -0.10 0.87 -0.61 0.00 3.57 -0.64 -1.34 116.94 118.69 2wby h PHE 866 Ca 0.10 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 2wby h PHE 866 Cb 0.25 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 2wby h PHE 866 CO -0.26 0.14 0.32 -0.07 -2.23 0.00 0.00 178.31 176.21 2wby h LEU 867 N 0.62 0.77 0.33 0.59 4.07 -0.03 0.11 115.31 121.76 2wby h LEU 867 Ca 0.54 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.40 2wby h LEU 867 Cb 0.89 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.40 2wby h LEU 867 CO -0.42 0.65 -0.39 0.40 -1.08 0.00 0.00 178.44 177.60 2wby h ILE 868 N 0.82 0.20 -0.87 1.22 1.08 -0.94 -0.57 117.51 118.45 2wby h ILE 868 Ca 0.21 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.91 2wby h ILE 868 Cb 0.07 0.20 -0.15 0.00 -3.07 0.00 0.00 36.82 33.87 2wby h ILE 868 CO -0.03 0.00 0.16 0.74 -0.69 0.00 0.00 178.15 178.33 2wby h THR 869 N -0.77 0.27 -0.79 -0.27 2.02 -1.16 0.12 112.91 112.33 2wby h THR 869 Ca -0.02 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 2wby h THR 869 Cb 0.71 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 2wby h THR 869 CO -0.10 0.03 0.46 0.24 0.37 0.00 0.00 175.52 176.52 2wby h MET 870 N 0.15 1.08 -0.19 6.66 2.86 -0.21 -1.68 114.93 123.59 2wby h MET 870 Ca 0.53 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 58.06 2wby h MET 870 Cb 1.06 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 2wby h MET 870 CO -0.70 0.77 0.10 1.49 1.06 0.00 0.00 176.91 179.64 2wby h GLU 871 N 1.09 0.27 -0.27 1.72 4.81 0.80 -1.39 114.58 121.61 2wby h GLU 871 Ca 0.28 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.52 2wby h GLU 871 Cb -0.02 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 2wby h GLU 871 CO -0.05 0.28 0.00 -0.22 -0.73 0.00 0.00 179.01 178.29 2wby h LYS 872 N 0.20 0.08 -0.00 1.92 3.64 -1.33 -0.02 116.57 121.06 2wby h LYS 872 Ca 0.07 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 2wby h LYS 872 Cb 0.09 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2wby h LYS 872 CO -0.01 0.05 -0.23 1.03 -2.27 0.00 0.00 179.45 178.03 2wby h SER 873 N 0.08 0.00 0.14 4.20 0.87 -0.90 -0.76 113.55 117.18 2wby h SER 873 Ca 0.13 -0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.46 2wby h SER 873 Cb 0.17 -0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2wby h SER 873 CO -0.22 0.23 -0.88 0.40 -0.53 0.00 0.00 176.83 175.83 2wby h ILE 874 N 0.00 1.34 -0.93 2.23 2.04 -0.80 -2.57 117.51 118.83 2wby h ILE 874 Ca -0.00 -2.23 0.14 0.00 1.00 0.00 0.00 64.86 63.77 2wby h ILE 874 Cb 0.40 2.25 -0.08 0.00 -0.74 0.00 0.00 36.82 38.65 2wby h ILE 874 CO 0.03 0.68 0.59 -0.08 0.00 0.00 0.00 178.15 179.37 2wby h GLU 875 N 0.35 0.74 -0.03 2.37 4.57 0.43 -2.84 114.58 120.17 2wby h GLU 875 Ca -0.07 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 2wby h GLU 875 Cb 1.51 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 2wby h GLU 875 CO 0.16 0.49 0.00 -0.25 -1.18 0.00 0.00 179.01 178.23 2wby n ASP 876 N -4.59 2.96 -4.74 1.04 10.43 -0.75 -4.95 116.55 115.95 2wby n ASP 876 Ca 0.18 -1.98 -0.41 0.00 2.57 0.00 0.00 54.79 55.15 2wby n ASP 876 Cb 0.46 -0.00 -0.04 0.00 1.84 0.00 0.00 41.12 43.38 2wby n ASP 876 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 2wby s MET 877 N -1.96 4.62 0.59 -1.24 1.75 -0.97 -4.99 119.30 117.09 2wby s MET 877 Ca 0.28 1.68 -0.17 0.00 -1.25 0.00 0.00 55.69 56.22 2wby s MET 877 Cb 0.20 -3.29 -0.04 0.00 2.84 0.00 0.00 34.83 34.54 2wby s MET 877 CO 0.29 0.11 1.10 0.95 -0.65 0.00 0.00 175.02 176.82 2wby s THR 878 N -0.25 3.40 0.56 10.11 -4.23 -1.26 -4.87 115.64 119.10 2wby s THR 878 Ca 0.49 0.75 0.30 0.00 -1.18 0.00 0.00 61.69 62.05 2wby s THR 878 Cb -0.28 -3.26 0.44 0.00 1.34 0.00 0.00 72.50 70.73 2wby s THR 878 CO 0.34 -0.31 1.87 -0.08 -0.54 0.00 0.00 174.62 175.91 2wby h GLU 879 N 0.68 0.00 -0.01 3.99 4.57 -1.99 -1.37 114.58 120.45 2wby h GLU 879 Ca -0.48 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 57.55 2wby h GLU 879 Cb 1.24 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.84 2wby h GLU 879 CO 0.56 0.00 -0.59 1.49 -1.18 0.00 0.00 179.01 179.29 2wby h GLU 880 N 0.00 0.42 -0.89 1.92 4.81 -2.00 -2.22 114.58 116.62 2wby h GLU 880 Ca 0.34 -0.43 0.04 0.00 -0.13 0.00 0.00 59.36 59.17 2wby h GLU 880 Cb 1.54 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.99 2wby h GLU 880 CO -0.00 1.10 0.57 0.00 -0.73 0.00 0.00 179.01 179.94 2wby h ALA 881 N 0.33 1.17 0.02 2.92 0.00 -1.64 -2.34 119.26 119.72 2wby h ALA 881 Ca -0.07 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2wby h ALA 881 Cb 1.29 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2wby h ALA 881 CO 0.12 0.42 -0.21 0.35 0.00 0.00 0.00 179.25 179.92 2wby h PHE 882 N 1.11 -0.56 0.00 0.00 3.57 -1.26 -2.21 116.94 117.58 2wby h PHE 882 Ca 0.36 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.84 2wby h PHE 882 Cb 0.01 0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 2wby h PHE 882 CO -0.02 -0.30 -0.13 1.96 -2.23 0.00 0.00 178.31 177.59 2wby h GLN 883 N -0.35 0.00 -0.19 1.11 1.08 -1.07 -1.57 115.11 114.12 2wby h GLN 883 Ca 0.05 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2wby h GLN 883 Cb 0.42 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 2wby h GLN 883 CO -0.18 0.13 0.10 0.87 -0.95 0.00 0.00 178.83 178.80 2wby h LYS 884 N 0.00 0.26 -0.27 1.46 1.57 -0.88 0.22 116.57 118.93 2wby h LYS 884 Ca -0.00 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 2wby h LYS 884 Cb 0.24 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 2wby h LYS 884 CO 0.02 0.26 -0.06 0.45 -0.57 0.00 0.00 179.45 179.54 2wby h HIS 885 N 0.20 -0.14 -0.68 -1.35 3.86 -0.98 0.71 115.15 116.77 2wby h HIS 885 Ca 0.07 0.02 0.14 0.00 -1.16 0.00 0.00 60.37 59.44 2wby h HIS 885 Cb 0.07 0.10 -0.10 0.00 1.06 0.00 0.00 27.41 28.55 2wby h HIS 885 CO -0.04 -0.11 0.18 0.82 0.86 0.00 0.00 177.93 179.63 2wby h ILE 886 N 0.00 0.59 -0.18 2.45 2.04 -1.10 -0.45 117.51 120.88 2wby h ILE 886 Ca 0.13 -0.10 -0.14 0.00 1.00 0.00 0.00 64.86 65.75 2wby h ILE 886 Cb 0.20 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 2wby h ILE 886 CO -0.28 0.05 -0.48 -0.61 0.00 0.00 0.00 178.15 176.83 2wby h GLN 887 N 0.30 0.46 -0.14 2.37 5.75 0.76 0.99 115.11 125.59 2wby h GLN 887 Ca 0.37 -0.26 -0.12 0.00 -0.15 0.00 0.00 58.65 58.48 2wby h GLN 887 Cb 0.58 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.15 2wby h GLN 887 CO -0.44 0.85 -0.39 0.00 -2.65 0.00 0.00 178.83 176.19 2wby h ALA 888 N 1.11 0.24 -0.45 3.38 0.00 0.12 0.03 119.26 123.68 2wby h ALA 888 Ca 0.02 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.51 2wby h ALA 888 Cb 0.98 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2wby h ALA 888 CO 0.09 0.33 0.22 1.25 0.00 0.00 0.00 179.25 181.14 2wby h LEU 889 N 0.13 0.32 -0.06 0.00 5.85 -0.99 -1.45 115.31 119.11 2wby h LEU 889 Ca -0.01 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.77 2wby h LEU 889 Cb 1.01 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 2wby h LEU 889 CO 0.08 0.23 -0.21 0.00 -0.34 0.00 0.00 178.44 178.21 2wby h ALA 890 N 1.24 -0.22 -0.66 1.25 0.00 -0.54 0.66 119.26 120.99 2wby h ALA 890 Ca 0.20 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.21 2wby h ALA 890 Cb 0.11 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 2wby h ALA 890 CO -0.14 -0.68 0.33 0.82 0.00 0.00 0.00 179.25 179.58 2wby h ILE 891 N -0.30 0.89 -0.36 0.00 1.08 -0.83 -0.32 117.51 117.66 2wby h ILE 891 Ca 0.08 -0.20 -0.02 0.00 -0.39 0.00 0.00 64.86 64.32 2wby h ILE 891 Cb 0.41 0.24 -0.02 0.00 -3.07 0.00 0.00 36.82 34.38 2wby h ILE 891 CO -0.23 0.11 0.14 0.03 -0.69 0.00 0.00 178.15 177.51 2wby h ARG 892 N 0.59 0.54 -0.08 2.37 3.08 -0.51 -0.53 114.38 119.85 2wby h ARG 892 Ca 0.32 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 60.17 2wby h ARG 892 Cb 0.29 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2wby h ARG 892 CO -0.23 0.53 -0.38 0.00 -1.07 0.00 0.00 179.97 178.81 2wby h ARG 893 N 0.44 0.16 -0.00 0.04 2.47 -0.55 -3.04 114.38 113.90 2wby h ARG 893 Ca 0.12 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2wby h ARG 893 Cb 0.19 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 2wby h ARG 893 CO -0.01 0.53 -0.58 1.28 0.56 0.00 0.00 179.97 181.75 2wby n LEU 894 N -4.06 1.07 -4.49 3.04 4.77 -0.16 -4.88 117.00 112.29 2wby n LEU 894 Ca -0.01 -0.35 -0.44 0.00 -0.03 0.00 0.00 56.01 55.17 2wby n LEU 894 Cb 0.45 -0.10 -0.08 0.00 -2.33 0.00 0.00 43.42 41.36 2wby n LEU 894 CO 0.41 0.23 1.96 -0.67 -1.33 0.00 0.00 177.39 177.99 2wby n ASP 895 N -1.00 1.80 -4.58 -1.43 2.03 -0.22 -4.90 116.55 108.24 2wby n ASP 895 Ca 0.07 0.09 -0.47 0.00 0.52 0.00 0.00 54.79 55.00 2wby n ASP 895 Cb 0.36 -1.29 -0.03 0.00 -0.72 0.00 0.00 41.12 39.45 2wby n ASP 895 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2wby n LYS 896 N 8.51 1.23 -2.00 -0.67 5.02 -1.26 -4.95 118.16 124.04 2wby n LYS 896 Ca 0.45 0.43 -0.41 0.00 -2.02 0.00 0.00 58.31 56.76 2wby n LYS 896 Cb 0.28 -1.87 -0.02 0.00 -0.02 0.00 0.00 35.03 33.40 2wby n LYS 896 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2wby s PRO 897 N -0.87 4.26 0.09 1.97 0.02 -1.26 -4.95 135.00 134.26 2wby s PRO 897 Ca 0.67 2.32 0.22 0.00 0.02 0.00 0.00 61.00 64.23 2wby s PRO 897 Cb -0.79 -3.10 -0.11 0.00 0.02 0.00 0.00 34.50 30.53 2wby s PRO 897 CO 0.55 -0.42 0.85 1.63 -0.33 0.00 0.00 177.00 179.28 2wby n LYS 898 N 2.20 0.55 -4.29 5.54 4.01 -1.26 -4.92 118.16 119.98 2wby n LYS 898 Ca 0.06 -0.01 -0.16 0.00 -0.51 0.00 0.00 58.31 57.69 2wby n LYS 898 Cb 0.40 -1.67 -0.10 0.00 -0.51 0.00 0.00 35.03 33.15 2wby n LYS 898 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 2wby s LYS 899 N -3.38 1.20 0.20 1.97 -2.85 -1.26 -4.00 119.74 111.62 2wby s LYS 899 Ca -0.02 -1.56 -0.13 0.00 -1.00 0.00 0.00 55.97 53.26 2wby s LYS 899 Cb 0.12 -0.70 0.22 0.00 -2.06 0.00 0.00 37.83 35.41 2wby s LYS 899 CO 0.83 0.03 1.67 1.25 0.10 0.00 0.00 175.35 179.23 2wby h LEU 900 N 2.63 -0.30 -0.30 2.77 5.85 -1.95 -2.27 115.31 121.73 2wby h LEU 900 Ca -0.37 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2wby h LEU 900 Cb 1.21 0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.50 2wby h LEU 900 CO 0.64 -0.11 0.00 0.77 -0.34 0.00 0.00 178.44 179.39 2wby h SER 901 N 0.08 0.00 -0.53 1.25 4.64 -1.98 -0.31 113.55 116.70 2wby h SER 901 Ca 0.27 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.49 2wby h SER 901 Cb 0.43 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 2wby h SER 901 CO -0.48 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 175.39 2wby h ALA 902 N 2.10 0.73 -0.49 5.18 0.00 -1.83 -1.94 119.26 123.01 2wby h ALA 902 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 2wby h ALA 902 Cb 0.84 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2wby h ALA 902 CO 0.00 0.62 -0.06 1.49 0.00 0.00 0.00 179.25 181.30 2wby h GLU 903 N 0.87 0.86 -0.53 0.00 4.81 -0.90 -2.71 114.58 116.98 2wby h GLU 903 Ca 0.14 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 59.01 2wby h GLU 903 Cb 0.64 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 2wby h GLU 903 CO 0.04 0.90 0.00 0.77 -0.73 0.00 0.00 179.01 179.99 2wby h SER 904 N 0.78 0.92 -0.32 1.04 0.02 -1.09 -2.42 113.55 112.47 2wby h SER 904 Ca 0.14 -0.30 0.07 0.00 -0.84 0.00 0.00 61.79 60.85 2wby h SER 904 Cb 0.56 -0.25 -0.08 0.00 0.14 0.00 0.00 62.40 62.78 2wby h SER 904 CO 0.03 1.00 -0.20 0.00 -1.14 0.00 0.00 176.83 176.52 2wby h ALA 905 N 0.95 0.03 -0.17 3.77 0.00 -1.27 0.51 119.26 123.08 2wby h ALA 905 Ca 0.15 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.22 2wby h ALA 905 Cb 0.53 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 2wby h ALA 905 CO 0.03 -0.59 -0.36 0.87 0.00 0.00 0.00 179.25 179.20 2wby h LYS 906 N -0.16 -0.39 -0.42 0.00 1.57 -1.29 -0.56 116.57 115.32 2wby h LYS 906 Ca 0.17 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2wby h LYS 906 Cb 0.41 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2wby h LYS 906 CO -0.42 -0.26 0.25 1.88 -0.57 0.00 0.00 179.45 180.33 2wby h TYR 907 N -0.41 0.55 -0.98 -1.35 0.99 -0.95 -2.38 116.97 112.44 2wby h TYR 907 Ca 0.10 -0.00 0.18 0.00 2.00 0.00 0.00 58.73 61.01 2wby h TYR 907 Cb 0.57 -0.18 -0.09 0.00 1.00 0.00 0.00 36.73 38.03 2wby h TYR 907 CO -0.45 0.38 0.61 2.35 -0.00 0.00 0.00 178.16 181.05 2wby h TRP 908 N 0.55 0.94 -0.23 4.88 -0.00 0.16 -0.81 115.95 121.44 2wby h TRP 908 Ca 0.15 0.03 0.02 0.00 -0.00 0.00 0.00 58.89 59.09 2wby h TRP 908 Cb -0.01 -0.29 -0.02 0.00 -0.00 0.00 0.00 29.16 28.84 2wby h TRP 908 CO -0.03 0.25 0.08 0.78 -0.00 0.00 0.00 178.44 179.52 2wby h GLY 909 N 0.71 0.28 1.51 2.65 0.00 -0.58 0.14 103.07 107.79 2wby h GLY 909 Ca 0.53 -0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.77 2wby h GLY 909 CO -0.30 0.03 0.06 0.83 0.00 0.00 0.00 176.54 177.15 2wby h GLU 910 N 0.18 0.62 0.02 4.80 4.39 -1.10 -0.96 114.58 122.53 2wby h GLU 910 Ca 0.10 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 2wby h GLU 910 Cb 0.07 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 2wby h GLU 910 CO -0.10 0.60 -0.01 0.82 -1.16 0.00 0.00 179.01 179.15 2wby h ILE 911 N 0.60 1.47 0.00 3.13 2.04 -0.52 0.18 117.51 124.40 2wby h ILE 911 Ca 0.13 -1.89 -0.08 0.00 1.00 0.00 0.00 64.86 64.02 2wby h ILE 911 Cb 0.29 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 2wby h ILE 911 CO 0.00 0.46 -0.40 0.16 0.00 0.00 0.00 178.15 178.37 2wby h ILE 912 N -0.89 1.04 0.00 -0.67 3.07 -0.78 -0.88 117.51 118.40 2wby h ILE 912 Ca -0.00 -1.50 0.00 0.00 1.55 0.00 0.00 64.86 64.91 2wby h ILE 912 Cb 0.77 1.87 0.00 0.00 -0.27 0.00 0.00 36.82 39.19 2wby h ILE 912 CO 0.00 0.39 0.00 -1.54 -1.05 0.00 0.00 178.15 175.96 2wby n SER 913 N -3.71 0.00 -2.83 2.16 3.41 -0.36 -4.89 113.62 107.40 2wby n SER 913 Ca -0.01 0.48 -0.20 0.00 -0.26 0.00 0.00 58.87 58.88 2wby n SER 913 Cb 0.48 -0.49 0.01 0.00 -0.26 0.00 0.00 64.21 63.95 2wby n SER 913 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wby n GLN 914 N -1.49 -3.31 0.01 4.33 6.02 -0.34 -4.85 117.38 117.75 2wby n GLN 914 Ca 0.07 0.78 0.11 0.00 -0.01 0.00 0.00 57.00 57.95 2wby n GLN 914 Cb 0.31 -5.51 -0.13 0.00 1.02 0.00 0.00 30.24 25.92 2wby n GLN 914 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2wby n GLN 915 N -3.48 0.53 -2.64 -1.09 6.02 -0.65 -4.01 117.38 112.05 2wby n GLN 915 Ca -0.13 -0.12 -0.06 0.00 -0.01 0.00 0.00 57.00 56.68 2wby n GLN 915 Cb 0.62 -1.56 -0.01 0.00 1.02 0.00 0.00 30.24 30.32 2wby n GLN 915 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2wby n TYR 916 N -2.17 -1.82 -2.81 1.08 4.02 -0.04 -2.35 117.16 113.07 2wby n TYR 916 Ca -0.02 0.06 -0.43 0.00 -0.01 0.00 0.00 57.90 57.50 2wby n TYR 916 Cb 0.52 -1.51 0.00 0.00 -0.02 0.00 0.00 39.34 38.33 2wby n TYR 916 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2wby n ASN 917 N -1.66 5.46 0.25 7.72 5.15 -1.26 -4.72 115.26 126.20 2wby n ASN 917 Ca -0.03 -3.12 0.17 0.00 -0.60 0.00 0.00 54.58 51.01 2wby n ASN 917 Cb 0.52 -1.45 0.81 0.00 -0.53 0.00 0.00 39.78 39.13 2wby n ASN 917 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 2wby h PHE 918 N 6.25 0.00 -0.48 1.20 0.04 -1.97 -1.46 116.94 120.51 2wby h PHE 918 Ca 0.30 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.07 2wby h PHE 918 Cb 0.74 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.89 2wby h PHE 918 CO 1.08 0.00 0.00 -3.47 -0.60 0.00 0.00 178.31 175.32 2wby n ASP 919 N -2.81 4.93 -0.20 2.17 4.64 -1.26 -4.75 116.55 119.27 2wby n ASP 919 Ca -0.01 -2.85 0.01 0.00 -1.38 0.00 0.00 54.79 50.56 2wby n ASP 919 Cb 0.18 -0.61 0.11 0.00 -1.04 0.00 0.00 41.12 39.75 2wby n ASP 919 CO 0.00 0.00 0.00 -0.09 -0.82 0.00 0.00 177.20 176.29 2wby h ARG 920 N 3.27 0.18 -0.50 -0.67 2.43 -1.67 -2.51 114.38 114.92 2wby h ARG 920 Ca 0.00 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 2wby h ARG 920 Cb 1.69 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 31.15 2wby h ARG 920 CO 0.35 0.12 0.23 -0.44 -1.51 0.00 0.00 179.97 178.72 2wby h ASP 921 N 0.19 0.30 -0.11 -3.80 3.32 -1.85 0.57 116.42 115.04 2wby h ASP 921 Ca 0.32 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.39 2wby h ASP 921 Cb 0.50 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 2wby h ASP 921 CO -0.46 0.21 0.02 0.78 -1.72 0.00 0.00 179.24 178.08 2wby h ASN 922 N 0.45 0.16 0.19 6.45 -0.26 -1.84 -0.97 115.58 119.76 2wby h ASN 922 Ca 0.22 -0.24 -0.17 0.00 -0.56 0.00 0.00 56.30 55.56 2wby h ASN 922 Cb 0.17 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.38 2wby h ASN 922 CO -0.18 0.36 -0.64 0.71 -1.06 0.00 0.00 177.43 176.62 2wby h THR 923 N -0.04 1.36 -0.18 2.81 1.35 -1.18 -1.08 112.91 115.95 2wby h THR 923 Ca 0.03 -1.97 -0.17 0.00 -0.55 0.00 0.00 66.41 63.75 2wby h THR 923 Cb 0.26 1.96 -0.00 0.00 -1.73 0.00 0.00 68.15 68.64 2wby h THR 923 CO 0.00 0.60 -0.58 -0.33 -0.25 0.00 0.00 175.52 174.96 2wby h GLU 924 N 0.31 0.57 -0.34 4.72 5.08 0.14 -0.92 114.58 124.14 2wby h GLU 924 Ca -0.01 -0.38 -0.08 0.00 -1.00 0.00 0.00 59.36 57.89 2wby h GLU 924 Cb 1.18 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2wby h GLU 924 CO 0.11 0.99 -0.11 0.28 -1.00 0.00 0.00 179.01 179.29 2wby h VAL 925 N 0.43 1.28 -0.36 3.13 2.07 -1.08 -0.63 116.25 121.09 2wby h VAL 925 Ca 0.00 -1.18 0.08 0.00 0.82 0.00 0.00 66.70 66.41 2wby h VAL 925 Cb 1.14 1.34 -0.08 0.00 -1.52 0.00 0.00 31.29 32.17 2wby h VAL 925 CO 0.11 0.39 -0.16 0.00 0.02 0.00 0.00 177.57 177.92 2wby h ALA 926 N 0.80 0.12 0.43 1.67 0.00 -1.04 -1.31 119.26 119.93 2wby h ALA 926 Ca 0.08 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2wby h ALA 926 Cb 0.62 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2wby h ALA 926 CO 0.04 -0.54 -0.29 -0.92 0.00 0.00 0.00 179.25 177.54 2wby h TYR 927 N -0.10 -0.77 -0.81 0.00 3.20 -1.00 -2.82 116.97 114.67 2wby h TYR 927 Ca 0.18 -0.00 0.32 0.00 3.14 0.00 0.00 58.73 62.36 2wby h TYR 927 Cb 0.38 0.28 -0.12 0.00 1.54 0.00 0.00 36.73 38.81 2wby h TYR 927 CO -0.39 -0.44 0.47 -0.11 -1.64 0.00 0.00 178.16 176.05 2wby n LEU 928 N -5.42 0.22 0.20 2.82 0.00 -0.26 -0.38 117.00 114.18 2wby n LEU 928 Ca -0.11 1.14 0.03 0.00 0.00 0.00 0.00 56.01 57.07 2wby n LEU 928 Cb 0.32 -0.56 0.40 0.00 0.00 0.00 0.00 43.42 43.59 2wby n LEU 928 CO 0.33 -1.26 0.77 0.11 0.00 0.00 0.00 177.39 177.33 2wby h LYS 929 N 0.00 0.00 -0.00 1.96 1.57 -0.97 -2.94 116.57 116.19 2wby h LYS 929 Ca 0.62 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.40 2wby h LYS 929 Cb 1.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.07 2wby h LYS 929 CO -0.48 0.32 -0.18 0.25 -0.57 0.00 0.00 179.45 178.79 2wby n THR 930 N -4.11 0.00 -2.36 -0.16 -2.24 0.49 -4.87 114.28 101.03 2wby n THR 930 Ca -0.02 -0.07 -0.40 0.00 -2.27 0.00 0.00 64.05 61.30 2wby n THR 930 Cb 0.37 0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 2wby n THR 930 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2wby s LEU 931 N -2.58 4.45 0.33 3.22 1.02 -1.11 -5.05 118.68 118.97 2wby s LEU 931 Ca 0.25 2.38 0.08 0.00 0.02 0.00 0.00 54.13 56.85 2wby s LEU 931 Cb 0.19 -3.71 -0.03 0.00 0.02 0.00 0.00 46.19 42.66 2wby s LEU 931 CO 0.51 -0.33 0.25 0.42 0.02 0.00 0.00 176.35 177.23 2wby s THR 932 N -1.21 3.53 0.26 5.49 -4.23 -1.26 -5.00 115.64 113.22 2wby s THR 932 Ca 0.48 -1.44 -0.01 0.00 -1.18 0.00 0.00 61.69 59.54 2wby s THR 932 Cb -0.33 -3.16 0.24 0.00 1.34 0.00 0.00 72.50 70.59 2wby s THR 932 CO 0.43 -0.20 1.75 0.50 -0.54 0.00 0.00 174.62 176.57 2wby h LYS 933 N 1.33 0.56 -0.39 3.99 3.64 -1.99 -2.02 116.57 121.70 2wby h LYS 933 Ca -0.45 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 58.85 2wby h LYS 933 Cb 1.25 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 2wby h LYS 933 CO 0.59 0.37 0.06 1.49 -2.27 0.00 0.00 179.45 179.69 2wby h GLU 934 N 0.57 0.58 -0.19 1.90 4.81 -1.98 -1.92 114.58 118.35 2wby h GLU 934 Ca 0.47 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 2wby h GLU 934 Cb 0.70 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 2wby h GLU 934 CO -0.39 0.57 0.07 -0.44 -0.73 0.00 0.00 179.01 178.09 2wby h ASP 935 N 0.57 0.28 -0.83 1.04 3.32 -1.76 -1.55 116.42 117.47 2wby h ASP 935 Ca 0.13 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 2wby h ASP 935 Cb 0.28 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 2wby h ASP 935 CO 0.00 0.39 0.39 0.40 -1.72 0.00 0.00 179.24 178.70 2wby h ILE 936 N 0.15 1.26 -0.07 0.35 1.08 -1.21 0.64 117.51 119.70 2wby h ILE 936 Ca 0.06 -0.75 -0.00 0.00 -0.39 0.00 0.00 64.86 63.78 2wby h ILE 936 Cb 0.20 0.20 -0.00 0.00 -3.07 0.00 0.00 36.82 34.15 2wby h ILE 936 CO -0.00 0.32 0.04 0.40 -0.69 0.00 0.00 178.15 178.21 2wby h ILE 937 N 1.19 1.10 -0.21 -0.67 2.04 -1.22 -1.24 117.51 118.50 2wby h ILE 937 Ca 0.29 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.88 2wby h ILE 937 Cb 0.14 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 2wby h ILE 937 CO -0.03 0.08 0.08 0.50 0.00 0.00 0.00 178.15 178.78 2wby h LYS 938 N 0.01 0.18 -0.50 2.37 1.63 -0.80 0.10 116.57 119.57 2wby h LYS 938 Ca 0.03 -0.01 0.10 0.00 -0.85 0.00 0.00 60.65 59.91 2wby h LYS 938 Cb 0.10 -0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 31.61 2wby h LYS 938 CO -0.00 0.12 -0.01 0.35 -3.45 0.00 0.00 179.45 176.46 2wby h PHE 939 N 0.19 -0.05 -0.97 1.91 3.57 -0.80 0.10 116.94 120.89 2wby h PHE 939 Ca 0.09 0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.74 2wby h PHE 939 Cb 0.04 0.10 -0.08 0.00 2.79 0.00 0.00 35.95 38.80 2wby h PHE 939 CO -0.11 -0.12 0.60 -0.92 -2.23 0.00 0.00 178.31 175.53 2wby h TYR 940 N 0.11 1.08 0.00 0.41 5.03 -0.30 -0.96 116.97 122.33 2wby h TYR 940 Ca 0.25 0.03 -0.17 0.00 2.58 0.00 0.00 58.73 61.43 2wby h TYR 940 Cb 0.38 -0.34 -0.02 0.00 1.55 0.00 0.00 36.73 38.30 2wby h TYR 940 CO -0.32 0.43 -0.81 0.87 -1.32 0.00 0.00 178.16 177.00 2wby h LYS 941 N 0.95 0.00 0.01 1.82 1.57 0.48 -0.08 116.57 121.32 2wby h LYS 941 Ca 0.48 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.99 2wby h LYS 941 Cb 0.46 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.79 2wby h LYS 941 CO -0.26 0.81 -1.05 0.93 -0.57 0.00 0.00 179.45 179.30 2wby h GLU 942 N 0.00 0.67 0.00 3.15 5.08 -0.49 -3.38 114.58 119.61 2wby h GLU 942 Ca -0.01 -0.73 -0.05 0.00 -1.00 0.00 0.00 59.36 57.57 2wby h GLU 942 Cb 1.52 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.97 2wby h GLU 942 CO 0.11 1.31 -1.28 -1.33 -1.00 0.00 0.00 179.01 176.81 2wby n MET 943 N -3.83 1.90 -0.01 2.33 0.00 -0.40 -1.35 117.12 115.75 2wby n MET 943 Ca -0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 57.70 57.56 2wby n MET 943 Cb 0.89 -1.12 -0.01 0.00 0.00 0.00 0.00 33.22 32.97 2wby n MET 943 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2wby n LEU 944 N -1.96 1.68 -4.61 4.03 4.77 -0.54 -4.01 117.00 116.35 2wby n LEU 944 Ca -0.05 -0.01 -0.39 0.00 -0.03 0.00 0.00 56.01 55.54 2wby n LEU 944 Cb 0.43 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.53 2wby n LEU 944 CO 0.10 0.33 0.56 0.00 -1.33 0.00 0.00 177.39 177.04 2wby n ALA 945 N -2.36 0.21 -0.29 -1.18 0.00 -0.15 -4.81 120.51 111.93 2wby n ALA 945 Ca -0.04 0.06 0.31 0.00 0.00 0.00 0.00 53.44 53.77 2wby n ALA 945 Cb 0.56 -2.11 0.69 0.00 0.00 0.00 0.00 19.45 18.59 2wby n ALA 945 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2wby h VAL 946 N 0.76 0.46 -0.18 0.00 3.04 -1.95 -0.18 116.25 118.20 2wby h VAL 946 Ca -0.48 -0.03 -0.08 0.00 -1.01 0.00 0.00 66.70 65.10 2wby h VAL 946 Cb 1.36 0.37 -0.05 0.00 -2.01 0.00 0.00 31.29 30.96 2wby h VAL 946 CO 0.52 0.02 -0.20 -0.90 -1.01 0.00 0.00 177.57 176.00 2wby n ASP 947 N -4.30 2.36 -4.75 3.17 3.85 -1.26 -5.01 116.55 110.61 2wby n ASP 947 Ca 0.24 -3.65 -0.41 0.00 -0.71 0.00 0.00 54.79 50.26 2wby n ASP 947 Cb 1.10 -0.57 -0.02 0.00 -1.35 0.00 0.00 41.12 40.28 2wby n ASP 947 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2wby s ALA 948 N -3.15 3.56 0.48 2.12 0.00 -0.08 -4.92 121.76 119.76 2wby s ALA 948 Ca 0.41 1.25 0.28 0.00 0.00 0.00 0.00 51.96 53.90 2wby s ALA 948 Cb 0.37 -3.51 1.60 0.00 0.00 0.00 0.00 23.12 21.58 2wby s ALA 948 CO -0.01 -0.65 2.14 -1.00 0.00 0.00 0.00 175.76 176.24 2wby h PRO 949 N 4.54 0.00 -0.27 0.00 0.13 -1.73 -2.96 132.00 131.70 2wby h PRO 949 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 2wby h PRO 949 Cb 1.22 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.27 2wby h PRO 949 CO 0.73 0.07 -0.14 0.54 -0.23 0.00 0.00 178.00 178.97 2wby n ARG 950 N -3.71 1.85 -1.94 0.86 1.74 -0.46 -3.91 116.66 111.09 2wby n ARG 950 Ca -0.02 -3.16 -0.42 0.00 -0.77 0.00 0.00 57.85 53.48 2wby n ARG 950 Cb 0.18 -1.77 -0.02 0.00 -1.02 0.00 0.00 32.46 29.82 2wby n ARG 950 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2wby s ARG 951 N -3.20 4.22 -0.33 5.56 3.52 -1.12 -4.67 118.95 122.92 2wby s ARG 951 Ca 0.43 2.37 0.01 0.00 -0.13 0.00 0.00 55.73 58.41 2wby s ARG 951 Cb 0.39 -3.11 0.10 0.00 -1.56 0.00 0.00 34.95 30.77 2wby s ARG 951 CO -0.01 -0.53 0.11 -1.01 -0.81 0.00 0.00 175.30 173.05 2wby s HIS 952 N 0.43 2.15 -0.13 5.12 3.76 -1.26 -0.19 115.29 125.17 2wby s HIS 952 Ca 0.64 -2.08 0.03 0.00 -0.15 0.00 0.00 55.06 53.50 2wby s HIS 952 Cb -0.44 -1.98 0.01 0.00 1.11 0.00 0.00 32.58 31.28 2wby s HIS 952 CO 0.39 -0.88 -0.21 0.21 -0.85 0.00 0.00 174.74 173.40 2wby s LYS 953 N 1.31 3.07 -0.00 1.40 2.20 -0.98 -0.22 119.74 126.51 2wby s LYS 953 Ca 0.11 -0.84 0.06 0.00 -0.36 0.00 0.00 55.97 54.93 2wby s LYS 953 Cb -0.19 -2.43 -0.02 0.00 -1.51 0.00 0.00 37.83 33.69 2wby s LYS 953 CO -0.19 0.05 -0.18 0.08 -0.36 0.00 0.00 175.35 174.75 2wby s VAL 954 N 0.68 1.40 -0.00 4.02 1.01 -0.72 -1.53 120.40 125.26 2wby s VAL 954 Ca -0.10 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.13 2wby s VAL 954 Cb -0.16 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 2wby s VAL 954 CO 0.01 0.35 -0.20 -0.44 0.00 0.00 0.00 175.10 174.83 2wby s SER 955 N -0.53 2.34 -0.21 3.32 0.01 0.06 -0.53 113.70 118.15 2wby s SER 955 Ca 0.07 -0.40 -0.00 0.00 1.31 0.00 0.00 55.95 56.93 2wby s SER 955 Cb -0.07 -0.24 0.02 0.00 0.21 0.00 0.00 66.02 65.94 2wby s SER 955 CO -0.00 0.22 -0.13 -0.69 0.41 0.00 0.00 173.24 173.04 2wby s VAL 956 N -0.55 2.50 -0.25 3.43 1.01 -0.08 -1.10 120.40 125.37 2wby s VAL 956 Ca 0.07 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 61.05 2wby s VAL 956 Cb -0.08 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 2wby s VAL 956 CO -0.00 0.40 0.11 -1.00 0.00 0.00 0.00 175.10 174.61 2wby s HIS 957 N 1.32 3.17 -0.25 5.22 3.76 0.10 -1.86 115.29 126.76 2wby s HIS 957 Ca 0.03 -0.13 -0.02 0.00 -0.15 0.00 0.00 55.06 54.79 2wby s HIS 957 Cb -0.15 -2.25 0.02 0.00 1.11 0.00 0.00 32.58 31.32 2wby s HIS 957 CO -0.09 -0.18 -0.06 0.08 -0.85 0.00 0.00 174.74 173.64 2wby s VAL 958 N 1.40 2.86 0.39 -0.90 1.01 0.82 -1.22 120.40 124.76 2wby s VAL 958 Ca 0.06 -1.01 -0.22 0.00 0.00 0.00 0.00 61.98 60.81 2wby s VAL 958 Cb -0.15 -2.44 -0.11 0.00 0.00 0.00 0.00 36.38 33.68 2wby s VAL 958 CO 0.05 0.21 0.93 -0.76 0.00 0.00 0.00 175.10 175.54 2wby s LEU 959 N 1.33 4.08 0.71 3.92 1.43 0.80 -1.51 118.68 129.43 2wby s LEU 959 Ca 0.00 1.71 -0.16 0.00 -1.03 0.00 0.00 54.13 54.65 2wby s LEU 959 Cb -0.16 -4.34 0.02 0.00 0.03 0.00 0.00 46.19 41.74 2wby s LEU 959 CO -0.05 -0.25 1.22 0.00 0.23 0.00 0.00 176.35 177.50 2wby n ALA 960 N -0.22 0.57 -0.35 4.21 0.00 -1.21 -0.52 120.51 122.98 2wby n ALA 960 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2wby n ALA 960 Cb 0.53 -2.27 0.06 0.00 0.00 0.00 0.00 19.45 17.76 2wby n ALA 960 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wby n ARG 961 N -2.34 -0.19 -0.11 0.00 0.63 -0.64 -1.93 116.66 112.08 2wby n ARG 961 Ca 0.15 1.44 0.11 0.00 -0.92 0.00 0.00 57.85 58.62 2wby n ARG 961 Cb 0.49 -2.14 0.32 0.00 0.45 0.00 0.00 32.46 31.58 2wby n ARG 961 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2wby n GLU 962 N -5.40 1.96 -3.75 -0.14 -0.58 -1.26 -4.96 120.64 106.51 2wby n GLU 962 Ca 0.11 -1.45 -0.35 0.00 -0.42 0.00 0.00 57.16 55.04 2wby n GLU 962 Cb 0.39 -1.43 -0.08 0.00 -0.57 0.00 0.00 31.44 29.76 2wby n GLU 962 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 2wby s MET 963 N -1.71 4.11 -0.01 3.49 1.75 -0.81 -5.21 119.30 120.91 2wby s MET 963 Ca 0.34 -0.21 0.09 0.00 -1.25 0.00 0.00 55.69 54.65 2wby s MET 963 Cb 0.19 -3.39 -0.12 0.00 2.84 0.00 0.00 34.83 34.34 2wby s MET 963 CO 0.28 0.35 0.27 -0.40 -0.65 0.00 0.00 175.02 174.86 2wby n ASP 964 N 3.37 1.95 0.00 1.11 5.68 -1.26 -4.77 116.55 122.63 2wby n ASP 964 Ca -0.16 -0.27 0.00 0.00 -0.50 0.00 0.00 54.79 53.85 2wby n ASP 964 Cb 0.52 1.25 0.00 0.00 -1.14 0.00 0.00 41.12 41.76 2wby n ASP 964 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2wby n ASN 979 N -1.58 0.00 -4.45 -1.12 2.04 -1.26 -5.14 115.26 103.76 2wby n ASN 979 Ca -0.00 0.00 -0.29 0.00 -0.44 0.00 0.00 54.58 53.85 2wby n ASN 979 Cb 0.20 0.00 -0.12 0.00 -2.53 0.00 0.00 39.78 37.33 2wby n ASN 979 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 2wby s LEU 980 N 0.00 2.53 1.27 -4.53 1.43 -1.26 -5.14 118.68 112.98 2wby s LEU 980 Ca 0.00 -0.66 -0.16 0.00 -1.03 0.00 0.00 54.13 52.28 2wby s LEU 980 Cb 0.00 -1.38 0.31 0.00 0.03 0.00 0.00 46.19 45.15 2wby s LEU 980 CO 0.00 0.17 0.90 -1.54 0.23 0.00 0.00 176.35 176.11 2wby n SER 981 N 0.78 -2.53 -4.60 2.29 3.41 -1.26 -4.97 113.62 106.74 2wby n SER 981 Ca -0.16 -0.38 -0.35 0.00 -0.26 0.00 0.00 58.87 57.72 2wby n SER 981 Cb 0.53 -1.16 -0.10 0.00 -0.26 0.00 0.00 64.21 63.22 2wby n SER 981 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2wby s GLN 982 N -4.46 3.92 0.32 4.33 0.74 -1.26 -5.00 119.66 118.25 2wby s GLN 982 Ca 0.67 -0.36 -0.28 0.00 0.05 0.00 0.00 55.36 55.44 2wby s GLN 982 Cb -0.21 -3.28 -0.09 0.00 1.10 0.00 0.00 33.01 30.52 2wby s GLN 982 CO 0.63 0.15 1.07 0.00 -0.55 0.00 0.00 175.29 176.59 2wby s ALA 983 N 0.72 3.29 0.65 1.58 0.00 -1.26 -4.60 121.76 122.15 2wby s ALA 983 Ca 0.04 0.81 -0.13 0.00 0.00 0.00 0.00 51.96 52.68 2wby s ALA 983 Cb -0.13 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 2wby s ALA 983 CO 0.02 -0.14 1.06 -1.25 0.00 0.00 0.00 175.76 175.44 2wby s PRO 984 N -1.77 3.08 0.25 0.00 0.04 -1.26 -4.96 135.00 130.38 2wby s PRO 984 Ca 0.49 1.09 -0.30 0.00 0.04 0.00 0.00 61.00 62.31 2wby s PRO 984 Cb -0.28 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.16 2wby s PRO 984 CO 0.36 -0.99 1.41 0.00 0.04 0.00 0.00 177.00 177.81 2wby s ALA 985 N -2.75 3.60 0.13 8.56 0.00 -1.26 -4.97 121.76 125.06 2wby s ALA 985 Ca 0.61 1.29 0.05 0.00 0.00 0.00 0.00 51.96 53.91 2wby s ALA 985 Cb -0.15 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 2wby s ALA 985 CO 0.46 -0.70 0.04 -0.51 0.00 0.00 0.00 175.76 175.05 2wby s LEU 986 N -0.46 3.55 0.99 0.00 1.43 -1.26 -5.09 118.68 117.85 2wby s LEU 986 Ca 0.58 -0.20 -0.13 0.00 -1.03 0.00 0.00 54.13 53.35 2wby s LEU 986 Cb -0.41 -2.23 0.18 0.00 0.03 0.00 0.00 46.19 43.77 2wby s LEU 986 CO 0.43 0.13 1.11 -2.16 0.23 0.00 0.00 176.35 176.09 2wby s PRO 987 N -2.68 0.47 0.02 1.29 0.04 -1.26 -5.00 135.00 127.88 2wby s PRO 987 Ca 0.28 0.39 -0.30 0.00 0.04 0.00 0.00 61.00 61.41 2wby s PRO 987 Cb -0.11 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 2wby s PRO 987 CO 0.20 -2.67 1.18 -0.65 0.04 0.00 0.00 177.00 175.10 2wby s GLN 988 N -5.08 4.42 0.46 4.56 -1.52 -1.26 -5.01 119.66 116.22 2wby s GLN 988 Ca 0.65 1.71 -0.20 0.00 -1.95 0.00 0.00 55.36 55.57 2wby s GLN 988 Cb -0.17 -3.43 -0.10 0.00 -0.22 0.00 0.00 33.01 29.09 2wby s GLN 988 CO 0.56 -0.30 0.98 -1.25 -0.25 0.00 0.00 175.29 175.03 2wby s PRO 989 N 1.45 4.05 -0.16 2.91 0.04 -1.26 -4.88 135.00 137.16 2wby s PRO 989 Ca 0.57 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.51 2wby s PRO 989 Cb -0.27 -2.15 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 2wby s PRO 989 CO 0.27 -0.19 1.26 -2.00 0.04 0.00 0.00 177.00 176.38 2wby s GLU 990 N -3.28 4.24 -0.22 4.56 2.12 -0.09 -4.91 118.70 121.12 2wby s GLU 990 Ca 0.63 1.67 -0.21 0.00 0.36 0.00 0.00 54.97 57.43 2wby s GLU 990 Cb -0.12 -3.75 -0.02 0.00 0.26 0.00 0.00 34.13 30.50 2wby s GLU 990 CO 0.17 -0.69 0.63 0.08 -0.54 0.00 0.00 175.26 174.91 2wby s VAL 991 N 3.41 5.01 -0.11 3.70 1.01 -1.26 -1.66 120.40 130.49 2wby s VAL 991 Ca 0.55 1.17 -0.30 0.00 0.00 0.00 0.00 61.98 63.40 2wby s VAL 991 Cb -0.22 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 2wby s VAL 991 CO 0.15 0.08 1.06 -0.63 0.00 0.00 0.00 175.10 175.77 2wby s ILE 992 N 2.10 4.63 -0.11 2.22 1.01 -0.06 -4.90 121.20 126.10 2wby s ILE 992 Ca 0.28 1.92 0.02 0.00 0.00 0.00 0.00 60.65 62.86 2wby s ILE 992 Cb -0.16 -4.23 -0.24 0.00 0.01 0.00 0.00 42.46 37.83 2wby s ILE 992 CO 0.10 -0.02 0.42 1.67 0.00 0.00 0.00 174.94 177.10 2wby n GLN 993 N 5.25 0.71 -3.67 2.79 -0.06 -1.26 -4.68 117.38 116.45 2wby n GLN 993 Ca 0.10 0.26 -0.17 0.00 -2.00 0.00 0.00 57.00 55.18 2wby n GLN 993 Cb 0.48 -1.72 -0.16 0.00 -4.06 0.00 0.00 30.24 24.78 2wby n GLN 993 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 2wby s ASN 994 N -6.61 0.75 0.17 1.69 3.84 -1.26 -5.06 114.94 108.46 2wby s ASN 994 Ca -0.16 0.29 -0.15 0.00 0.21 0.00 0.00 52.86 53.05 2wby s ASN 994 Cb 0.07 0.20 0.09 0.00 -0.55 0.00 0.00 41.25 41.06 2wby s ASN 994 CO 0.78 -0.24 1.78 0.24 -2.79 0.00 0.00 177.10 176.87 2wby h MET 995 N 8.29 0.42 -0.17 0.43 2.86 -1.99 -0.85 114.93 123.91 2wby h MET 995 Ca -0.15 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.50 2wby h MET 995 Cb 1.12 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.64 2wby h MET 995 CO 0.17 0.28 -0.08 1.15 1.06 0.00 0.00 176.91 179.49 2wby h THR 996 N 0.43 0.74 -0.87 2.22 2.02 -1.97 -1.33 112.91 114.16 2wby h THR 996 Ca 0.19 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.41 2wby h THR 996 Cb 0.10 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.20 2wby h THR 996 CO -0.14 0.00 0.57 -0.33 0.37 0.00 0.00 175.52 175.99 2wby h GLU 997 N -0.06 1.02 -0.46 6.66 5.08 -1.85 -0.56 114.58 124.41 2wby h GLU 997 Ca 0.09 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2wby h GLU 997 Cb 0.20 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2wby h GLU 997 CO -0.21 0.68 0.07 0.35 -1.00 0.00 0.00 179.01 178.90 2wby h PHE 998 N 1.05 0.81 0.02 4.33 3.57 -0.85 -1.64 116.94 124.23 2wby h PHE 998 Ca 0.35 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 2wby h PHE 998 Cb 0.08 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.60 2wby h PHE 998 CO -0.00 0.76 -0.01 0.87 -2.23 0.00 0.00 178.31 177.70 2wby h LYS 999 N 0.62 -0.02 -0.59 1.11 1.57 -0.52 -3.10 116.57 115.64 2wby h LYS 999 Ca 0.14 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.99 2wby h LYS 999 Cb 0.38 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 2wby h LYS 999 CO 0.01 0.20 0.39 0.00 -0.57 0.00 0.00 179.45 179.49 2wby h ARG 1000N -0.25 0.51 -0.02 3.15 3.08 -0.99 -1.30 114.38 118.56 2wby h ARG 1000Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2wby h ARG 1000Cb 0.24 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2wby h ARG 1000CO 0.00 0.34 0.00 0.41 -1.07 0.00 0.00 179.97 179.65 2wby n GLY 1001N -1.49 -0.85 3.45 0.04 0.00 -0.63 -4.85 105.19 100.85 2wby n GLY 1001Ca 0.09 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 2wby n GLY 1001CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wby s LEU 1002N -1.70 2.54 0.95 0.99 1.43 -0.49 -5.08 118.68 117.31 2wby s LEU 1002Ca 0.34 -0.98 -0.12 0.00 -1.03 0.00 0.00 54.13 52.34 2wby s LEU 1002Cb 0.16 -1.09 0.16 0.00 0.03 0.00 0.00 46.19 45.45 2wby s LEU 1002CO 0.26 0.05 1.09 -2.84 0.23 0.00 0.00 176.35 175.15 2wby s PRO 1003N -3.24 0.79 -0.00 1.29 0.02 -1.26 -4.87 135.00 127.73 2wby s PRO 1003Ca 0.26 0.65 0.05 0.00 0.02 0.00 0.00 61.00 61.99 2wby s PRO 1003Cb -0.06 -1.77 -0.03 0.00 0.02 0.00 0.00 34.50 32.66 2wby s PRO 1003CO 0.13 -2.52 -0.14 -0.51 -0.33 0.00 0.00 177.00 173.63 2wby s LEU 1004N -6.35 2.76 0.95 -5.54 1.43 -1.26 -0.73 118.68 109.94 2wby s LEU 1004Ca 0.64 -0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 53.36 2wby s LEU 1004Cb -0.18 -1.59 0.17 0.00 0.03 0.00 0.00 46.19 44.61 2wby s LEU 1004CO 0.57 0.30 1.12 -0.36 0.23 0.00 0.00 176.35 178.21 2wby s PHE 1005N -0.86 1.66 1.04 0.29 0.40 0.76 -4.83 117.98 116.44 2wby s PHE 1005Ca 0.14 1.64 -0.12 0.00 -0.60 0.00 0.00 56.93 57.98 2wby s PHE 1005Cb -0.11 -3.26 0.21 0.00 0.51 0.00 0.00 43.02 40.37 2wby s PHE 1005CO 0.04 -2.94 1.07 -2.14 0.70 0.00 0.00 175.22 171.95 2wby s PRO 1006N -4.64 0.09 0.37 0.24 0.02 -1.26 -4.69 135.00 125.12 2wby s PRO 1006Ca 0.67 0.90 -0.18 0.00 0.02 0.00 0.00 61.00 62.41 2wby s PRO 1006Cb -0.23 -1.67 -0.10 0.00 0.02 0.00 0.00 34.50 32.53 2wby s PRO 1006CO 0.59 -3.06 0.83 -0.51 -0.33 0.00 0.00 177.00 174.51 2wby s LEU 1007N -6.78 4.02 0.50 -5.54 2.01 -1.26 -4.83 118.68 106.80 2wby s LEU 1007Ca 0.66 1.46 -0.22 0.00 0.01 0.00 0.00 54.13 56.04 2wby s LEU 1007Cb -0.22 -4.26 -0.06 0.00 0.01 0.00 0.00 46.19 41.65 2wby s LEU 1007CO 0.61 -0.26 1.24 -0.69 1.01 0.00 0.00 176.35 178.25 2wby s VAL 1008N -2.05 2.68 0.14 -1.59 1.01 -1.26 -5.01 120.40 114.32 2wby s VAL 1008Ca 0.57 0.51 -0.30 0.00 0.00 0.00 0.00 61.98 62.76 2wby s VAL 1008Cb -0.10 -3.25 -0.08 0.00 0.00 0.00 0.00 36.38 32.95 2wby s VAL 1008CO 0.16 -0.01 1.29 -0.54 0.00 0.00 0.00 175.10 175.99 2wby s LYS 1009N -2.81 4.40 1.00 2.72 3.01 -1.26 -4.99 119.74 121.80 2wby s LYS 1009Ca 0.67 1.97 -0.18 0.00 -1.01 0.00 0.00 55.97 57.43 2wby s LYS 1009Cb -0.33 -3.25 -0.10 0.00 -1.01 0.00 0.00 37.83 33.14 2wby s LYS 1009CO 0.40 -0.28 -0.60 -2.30 0.51 0.00 0.00 175.35 173.08 2wby n PRO 1010N 3.26 -0.16 -3.22 -1.68 -0.02 -1.26 -4.80 135.00 127.11 2wby n PRO 1010Ca 0.08 -0.04 -0.37 0.00 -2.02 0.00 0.00 63.50 61.15 2wby n PRO 1010Cb 0.44 -1.23 -0.06 0.00 -0.02 0.00 0.00 33.50 32.62 2wby n PRO 1010CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2wby s HIS 1011N -2.10 3.73 0.00 6.00 2.46 -0.99 -5.03 115.29 119.36 2wby s HIS 1011Ca 0.44 1.28 0.00 0.00 0.47 0.00 0.00 55.06 57.25 2wby s HIS 1011Cb -0.14 -2.52 0.00 0.00 -0.13 0.00 0.00 32.58 29.79 2wby s HIS 1011CO 0.76 0.48 0.00 1.51 -2.47 0.00 0.00 174.74 175.02