#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wk3 n PRO 45 N 0.00 0.08 0.21 1.20 -0.05 -1.26 -3.38 135.00 131.79 2wk3 n PRO 45 Ca 0.00 0.02 0.14 0.00 -0.05 0.00 0.00 63.50 63.61 2wk3 n PRO 45 Cb 0.00 -1.54 0.50 0.00 -0.05 0.00 0.00 33.50 32.41 2wk3 n PRO 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2wk3 h ALA 46 N 2.87 1.00 -3.39 0.55 0.00 -2.00 -3.43 119.26 114.86 2wk3 h ALA 46 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.23 2wk3 h ALA 46 Cb 0.56 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 17.99 2wk3 h ALA 46 CO 0.00 0.00 -0.63 0.42 0.00 0.00 0.00 179.25 179.04 2wk3 s ILE 47 N -3.42 2.89 0.26 0.00 1.01 -1.22 -0.30 121.20 120.43 2wk3 s ILE 47 Ca 0.04 -2.05 -0.01 0.00 0.00 0.00 0.00 60.65 58.64 2wk3 s ILE 47 Cb 0.09 -2.97 0.25 0.00 0.01 0.00 0.00 42.46 39.83 2wk3 s ILE 47 CO 0.53 -0.56 1.78 0.50 0.00 0.00 0.00 174.94 177.19 2wk3 h LYS 48 N 7.89 0.70 -1.95 2.79 3.64 -0.67 -3.45 116.57 125.54 2wk3 h LYS 48 Ca -0.11 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 2wk3 h LYS 48 Cb 1.04 -0.16 -0.22 0.00 -0.41 0.00 0.00 32.23 32.48 2wk3 h LYS 48 CO 0.61 0.47 0.16 0.50 -2.27 0.00 0.00 179.45 178.91 2wk3 s ARG 49 N -5.97 0.78 -0.10 1.90 3.52 -0.76 -5.00 118.95 113.33 2wk3 s ARG 49 Ca -0.12 0.98 -0.03 0.00 -0.13 0.00 0.00 55.73 56.42 2wk3 s ARG 49 Cb 0.22 0.35 -0.04 0.00 -1.56 0.00 0.00 34.95 33.92 2wk3 s ARG 49 CO 0.79 -0.10 0.04 0.42 -0.81 0.00 0.00 175.30 175.63 2wk3 s ILE 50 N 0.53 4.63 0.33 4.11 1.01 -1.26 -1.01 121.20 129.54 2wk3 s ILE 50 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.52 2wk3 s ILE 50 Cb -0.05 -2.97 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 2wk3 s ILE 50 CO -0.03 0.61 0.53 -0.83 0.00 0.00 0.00 174.94 175.22 2wk3 s GLY 51 N -0.88 1.38 0.01 6.18 0.00 -0.41 -4.99 107.32 108.62 2wk3 s GLY 51 Ca 0.13 -0.90 -0.26 0.00 0.00 0.00 0.00 44.72 43.69 2wk3 s GLY 51 CO 0.03 -0.84 1.18 3.43 0.00 0.00 0.00 173.10 176.89 2wk3 h ASN 52 N 0.87 -0.62 -3.49 1.64 2.35 -1.98 -3.42 115.58 110.94 2wk3 h ASN 52 Ca -0.50 -0.05 -0.18 0.00 -0.55 0.00 0.00 56.30 55.03 2wk3 h ASN 52 Cb 1.22 0.16 -0.28 0.00 0.05 0.00 0.00 38.32 39.47 2wk3 h ASN 52 CO 0.62 -0.26 -0.45 -2.28 -1.65 0.00 0.00 177.43 173.41 2wk3 s HIS 53 N -4.74 -0.34 -0.42 1.19 2.46 -1.26 -5.15 115.29 107.03 2wk3 s HIS 53 Ca -0.14 0.79 -0.24 0.00 0.47 0.00 0.00 55.06 55.94 2wk3 s HIS 53 Cb 0.02 0.08 0.02 0.00 -0.13 0.00 0.00 32.58 32.57 2wk3 s HIS 53 CO 0.48 -0.21 0.85 0.42 -2.47 0.00 0.00 174.74 173.81 2wk3 s ILE 54 N 0.92 4.60 -0.02 0.89 -1.09 -1.26 -4.75 121.20 120.49 2wk3 s ILE 54 Ca -0.06 0.75 -0.30 0.00 -2.23 0.00 0.00 60.65 58.81 2wk3 s ILE 54 Cb -0.08 -4.33 -0.08 0.00 -1.58 0.00 0.00 42.46 36.39 2wk3 s ILE 54 CO -0.06 -0.66 1.94 -0.89 -1.23 0.00 0.00 174.94 174.04 2wk3 s THR 55 N 3.42 3.12 0.37 2.92 2.01 -1.03 -4.97 115.64 121.48 2wk3 s THR 55 Ca 0.34 0.14 0.06 0.00 0.31 0.00 0.00 61.69 62.54 2wk3 s THR 55 Cb -0.12 -3.10 -0.07 0.00 0.01 0.00 0.00 72.50 69.22 2wk3 s THR 55 CO 0.22 -0.02 0.00 -1.59 -0.69 0.00 0.00 174.62 172.54 2wk3 s LYS 56 N 4.64 1.82 0.45 4.92 -2.85 -1.26 -4.37 119.74 123.09 2wk3 s LYS 56 Ca 0.87 -2.00 -0.24 0.00 -1.00 0.00 0.00 55.97 53.60 2wk3 s LYS 56 Cb -0.40 -1.40 -0.08 0.00 -2.06 0.00 0.00 37.83 33.90 2wk3 s LYS 56 CO 0.39 -0.05 1.25 0.45 0.10 0.00 0.00 175.35 177.49 2wk3 s SER 57 N -3.61 6.11 0.24 0.03 0.15 -1.26 -4.91 113.70 110.45 2wk3 s SER 57 Ca 0.34 2.53 -0.04 0.00 0.70 0.00 0.00 55.95 59.48 2wk3 s SER 57 Cb 0.08 -2.62 0.43 0.00 -1.71 0.00 0.00 66.02 62.19 2wk3 s SER 57 CO 0.17 -0.97 1.77 1.55 1.20 0.00 0.00 173.24 176.95 2wk3 h PRO 58 N 2.27 0.60 0.00 5.44 0.13 -1.90 -1.73 132.00 136.82 2wk3 h PRO 58 Ca -0.50 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2wk3 h PRO 58 Cb 1.25 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2wk3 h PRO 58 CO 0.61 0.40 0.00 0.39 -0.23 0.00 0.00 178.00 179.17 2wk3 n GLU 59 N -4.86 0.27 -3.06 0.86 -0.58 -1.26 -4.71 120.64 107.29 2wk3 n GLU 59 Ca 0.14 0.11 -0.41 0.00 -0.42 0.00 0.00 57.16 56.58 2wk3 n GLU 59 Cb 0.34 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.66 2wk3 n GLU 59 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2wk3 s ASP 60 N -2.56 6.59 0.24 1.62 2.15 -0.65 -4.93 116.67 119.12 2wk3 s ASP 60 Ca 0.17 0.63 0.24 0.00 0.43 0.00 0.00 52.55 54.02 2wk3 s ASP 60 Cb 0.12 -2.36 0.28 0.00 -0.30 0.00 0.00 42.92 40.67 2wk3 s ASP 60 CO 0.28 -0.47 1.36 0.11 -0.17 0.00 0.00 175.17 176.27 2wk3 h LYS 61 N 8.03 0.00 -7.07 4.34 1.57 -1.86 -3.46 116.57 118.11 2wk3 h LYS 61 Ca -0.26 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.96 2wk3 h LYS 61 Cb 1.11 0.00 0.17 0.00 0.08 0.00 0.00 32.23 33.59 2wk3 h LYS 61 CO 0.81 0.00 0.38 0.54 -0.57 0.00 0.00 179.45 180.62 2wk3 n ARG 62 N -2.57 0.84 -4.35 3.15 1.74 -1.26 -4.99 116.66 109.22 2wk3 n ARG 62 Ca 0.03 0.35 -0.31 0.00 -0.77 0.00 0.00 57.85 57.14 2wk3 n ARG 62 Cb 0.50 -2.43 -0.10 0.00 -1.02 0.00 0.00 32.46 29.40 2wk3 n ARG 62 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2wk3 s GLU 63 N -3.43 2.37 0.04 5.56 2.02 -0.28 -4.97 118.70 120.01 2wk3 s GLU 63 Ca 0.79 -0.86 0.03 0.00 0.02 0.00 0.00 54.97 54.95 2wk3 s GLU 63 Cb -0.36 -2.42 -0.02 0.00 0.10 0.00 0.00 34.13 31.43 2wk3 s GLU 63 CO 0.44 0.56 -0.10 0.71 0.02 0.00 0.00 175.26 176.88 2wk3 s TYR 64 N -1.11 0.89 -0.18 1.61 1.51 -1.26 0.30 117.35 119.11 2wk3 s TYR 64 Ca 0.20 -0.42 -0.09 0.00 -1.01 0.00 0.00 57.07 55.75 2wk3 s TYR 64 Cb -0.11 -0.52 0.06 0.00 -0.11 0.00 0.00 41.96 41.28 2wk3 s TYR 64 CO 0.11 -0.02 0.41 0.50 -1.11 0.00 0.00 175.55 175.45 2wk3 s ARG 65 N -1.38 0.38 0.12 -0.62 3.52 -0.48 -4.74 118.95 115.75 2wk3 s ARG 65 Ca -0.05 0.84 0.02 0.00 -0.13 0.00 0.00 55.73 56.41 2wk3 s ARG 65 Cb -0.09 0.04 -0.04 0.00 -1.56 0.00 0.00 34.95 33.31 2wk3 s ARG 65 CO 0.01 -0.18 0.26 0.20 -0.81 0.00 0.00 175.30 174.78 2wk3 s GLY 66 N 1.64 1.86 0.15 8.12 0.00 -1.26 -0.61 107.32 117.23 2wk3 s GLY 66 Ca -0.08 -0.97 -0.23 0.00 0.00 0.00 0.00 44.72 43.43 2wk3 s GLY 66 CO -0.13 -0.97 0.61 0.48 0.00 0.00 0.00 173.10 173.09 2wk3 s LEU 67 N -3.00 -0.57 -0.28 0.66 0.05 -0.07 -1.29 118.68 114.18 2wk3 s LEU 67 Ca 0.35 0.01 -0.00 0.00 0.05 0.00 0.00 54.13 54.54 2wk3 s LEU 67 Cb -0.12 2.59 0.05 0.00 -2.05 0.00 0.00 46.19 46.66 2wk3 s LEU 67 CO 0.28 -0.96 -0.05 -0.70 -0.55 0.00 0.00 176.35 174.38 2wk3 s GLU 68 N -3.69 2.43 0.95 1.48 2.12 -0.18 -0.06 118.70 121.75 2wk3 s GLU 68 Ca 0.01 -1.25 -0.10 0.00 0.36 0.00 0.00 54.97 53.99 2wk3 s GLU 68 Cb -0.01 -3.05 0.16 0.00 0.26 0.00 0.00 34.13 31.49 2wk3 s GLU 68 CO -0.13 -0.57 1.10 1.28 -0.54 0.00 0.00 175.26 176.40 2wk3 n LEU 69 N 4.57 2.63 0.03 2.70 4.77 -0.59 -0.12 117.00 130.99 2wk3 n LEU 69 Ca -0.14 0.35 -0.02 0.00 -0.03 0.00 0.00 56.01 56.17 2wk3 n LEU 69 Cb 0.44 -1.44 0.25 0.00 -2.33 0.00 0.00 43.42 40.33 2wk3 n LEU 69 CO 0.25 -2.36 0.80 0.00 -1.33 0.00 0.00 177.39 174.75 2wk3 h ALA 70 N -1.98 1.21 0.00 -1.18 0.00 -0.95 0.70 119.26 117.05 2wk3 h ALA 70 Ca -0.45 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2wk3 h ALA 70 Cb 1.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2wk3 h ALA 70 CO 0.42 0.51 0.00 0.27 0.00 0.00 0.00 179.25 180.44 2wk3 n ASN 71 N -4.17 0.00 0.00 0.00 0.23 -1.26 -4.87 115.26 105.18 2wk3 n ASN 71 Ca 0.00 -0.58 0.00 0.00 -0.53 0.00 0.00 54.58 53.47 2wk3 n ASN 71 Cb 0.35 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 2wk3 n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wk3 n GLY 72 N -0.07 0.75 3.70 4.83 0.00 0.24 -3.71 105.19 110.92 2wk3 n GLY 72 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2wk3 n GLY 72 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wk3 s ILE 73 N -2.58 3.94 -0.07 -0.61 1.01 -1.20 -4.53 121.20 117.17 2wk3 s ILE 73 Ca 0.00 1.35 -0.25 0.00 0.00 0.00 0.00 60.65 61.75 2wk3 s ILE 73 Cb 0.00 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 2wk3 s ILE 73 CO 0.00 0.05 0.78 -0.54 0.00 0.00 0.00 174.94 175.23 2wk3 s LYS 74 N 1.72 4.44 -0.00 2.79 1.02 -1.01 -1.54 119.74 127.17 2wk3 s LYS 74 Ca 0.60 1.01 0.06 0.00 0.02 0.00 0.00 55.97 57.66 2wk3 s LYS 74 Cb -0.29 -3.47 -0.02 0.00 -0.52 0.00 0.00 37.83 33.53 2wk3 s LYS 74 CO 0.27 -0.02 -0.20 0.08 -0.92 0.00 0.00 175.35 174.56 2wk3 s VAL 75 N 1.04 1.57 -0.09 3.17 1.01 0.91 0.29 120.40 128.29 2wk3 s VAL 75 Ca 0.41 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.50 2wk3 s VAL 75 Cb -0.18 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 34.89 2wk3 s VAL 75 CO 0.19 0.38 -0.17 -0.22 0.00 0.00 0.00 175.10 175.29 2wk3 s LEU 76 N -0.62 1.82 -0.08 3.92 1.98 -0.37 -0.89 118.68 124.44 2wk3 s LEU 76 Ca 0.07 -0.43 0.02 0.00 -2.89 0.00 0.00 54.13 50.90 2wk3 s LEU 76 Cb -0.08 -1.11 -0.02 0.00 0.66 0.00 0.00 46.19 45.64 2wk3 s LEU 76 CO -0.00 0.07 -0.13 -0.76 -1.89 0.00 0.00 176.35 173.63 2wk3 s LEU 77 N 0.68 2.77 -0.21 -0.68 1.43 0.22 -1.43 118.68 121.47 2wk3 s LEU 77 Ca -0.13 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 2wk3 s LEU 77 Cb -0.16 -1.59 0.04 0.00 0.03 0.00 0.00 46.19 44.51 2wk3 s LEU 77 CO 0.03 0.28 -0.12 -0.63 0.23 0.00 0.00 176.35 176.15 2wk3 s ILE 78 N -0.35 1.79 -0.26 -0.59 1.01 0.68 -1.38 121.20 122.10 2wk3 s ILE 78 Ca 0.04 -1.10 -0.10 0.00 0.00 0.00 0.00 60.65 59.49 2wk3 s ILE 78 Cb -0.13 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 2wk3 s ILE 78 CO 0.02 0.19 0.15 -0.55 0.00 0.00 0.00 174.94 174.76 2wk3 s SER 79 N 1.33 5.78 -0.32 3.58 0.15 0.15 -1.81 113.70 122.56 2wk3 s SER 79 Ca -0.02 -0.05 -0.01 0.00 0.70 0.00 0.00 55.95 56.58 2wk3 s SER 79 Cb -0.16 -2.06 0.11 0.00 -1.71 0.00 0.00 66.02 62.19 2wk3 s SER 79 CO -0.08 -0.03 0.12 -0.62 1.20 0.00 0.00 173.24 173.83 2wk3 s ASP 80 N 1.59 3.84 0.00 5.45 -1.08 -0.16 -1.12 116.67 125.19 2wk3 s ASP 80 Ca 0.07 -1.68 0.16 0.00 -0.52 0.00 0.00 52.55 50.57 2wk3 s ASP 80 Cb -0.15 -0.75 0.91 0.00 -1.46 0.00 0.00 42.92 41.47 2wk3 s ASP 80 CO 0.08 -0.40 1.37 -2.65 0.52 0.00 0.00 175.17 174.09 2wk3 n PRO 81 N 4.78 0.44 0.00 4.34 -0.02 -1.26 -2.39 135.00 140.88 2wk3 n PRO 81 Ca -0.01 0.03 0.11 0.00 -2.02 0.00 0.00 63.50 61.61 2wk3 n PRO 81 Cb 0.41 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.41 2wk3 n PRO 81 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2wk3 n THR 82 N -1.06 0.00 -2.35 3.45 -2.24 -1.26 -4.95 114.28 105.88 2wk3 n THR 82 Ca 0.11 -0.18 -0.41 0.00 -2.27 0.00 0.00 64.05 61.30 2wk3 n THR 82 Cb 0.07 1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 2wk3 n THR 82 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wk3 s THR 83 N -2.62 3.39 -0.15 4.28 -1.32 -1.01 -4.91 115.64 113.29 2wk3 s THR 83 Ca 0.16 1.25 0.16 0.00 -1.21 0.00 0.00 61.69 62.06 2wk3 s THR 83 Cb 0.18 -3.80 -0.02 0.00 -1.51 0.00 0.00 72.50 67.35 2wk3 s THR 83 CO 0.64 0.24 1.17 0.44 -2.21 0.00 0.00 174.62 174.90 2wk3 h ASP 84 N 4.58 0.00 -3.69 8.08 3.32 -1.94 -3.43 116.42 123.33 2wk3 h ASP 84 Ca -0.46 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.01 2wk3 h ASP 84 Cb 1.21 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.44 2wk3 h ASP 84 CO 0.71 0.49 -0.84 -0.54 -1.72 0.00 0.00 179.24 177.34 2wk3 s LYS 85 N -2.98 2.08 0.56 3.56 1.02 -1.26 -1.86 119.74 120.86 2wk3 s LYS 85 Ca 0.01 -0.64 0.05 0.00 0.02 0.00 0.00 55.97 55.41 2wk3 s LYS 85 Cb 0.08 -1.72 0.06 0.00 -0.52 0.00 0.00 37.83 35.74 2wk3 s LYS 85 CO 0.77 0.19 0.77 -1.12 -0.92 0.00 0.00 175.35 175.05 2wk3 s SER 86 N 0.22 5.13 -0.19 2.83 0.01 0.35 -4.76 113.70 117.30 2wk3 s SER 86 Ca -0.09 -0.47 -0.28 0.00 1.31 0.00 0.00 55.95 56.42 2wk3 s SER 86 Cb -0.14 -0.26 0.10 0.00 0.21 0.00 0.00 66.02 65.93 2wk3 s SER 86 CO 0.04 -1.25 0.85 -0.55 0.41 0.00 0.00 173.24 172.74 2wk3 s SER 87 N -4.55 -0.56 0.16 2.44 0.15 -0.09 -1.56 113.70 109.69 2wk3 s SER 87 Ca 0.60 0.87 0.01 0.00 0.70 0.00 0.00 55.95 58.13 2wk3 s SER 87 Cb -0.08 0.81 -0.04 0.00 -1.71 0.00 0.00 66.02 65.00 2wk3 s SER 87 CO 0.38 -0.34 0.02 0.00 1.20 0.00 0.00 173.24 174.50 2wk3 s ALA 88 N -0.41 1.21 0.01 5.45 0.00 -0.97 -0.65 121.76 126.41 2wk3 s ALA 88 Ca -0.02 -1.56 -0.13 0.00 0.00 0.00 0.00 51.96 50.25 2wk3 s ALA 88 Cb -0.03 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.74 2wk3 s ALA 88 CO 0.02 -0.37 0.27 0.00 0.00 0.00 0.00 175.76 175.68 2wk3 s ALA 89 N -3.76 -0.62 -0.00 0.00 0.00 -0.23 -1.22 121.76 115.92 2wk3 s ALA 89 Ca 0.24 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.27 2wk3 s ALA 89 Cb 0.06 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.37 2wk3 s ALA 89 CO 0.03 -0.31 0.00 -1.17 0.00 0.00 0.00 175.76 174.31 2wk3 s LEU 90 N -1.68 1.85 -0.11 0.00 0.20 -0.40 -1.52 118.68 117.03 2wk3 s LEU 90 Ca -0.10 -0.00 0.01 0.00 0.69 0.00 0.00 54.13 54.73 2wk3 s LEU 90 Cb -0.04 -0.03 0.02 0.00 -0.43 0.00 0.00 46.19 45.71 2wk3 s LEU 90 CO 0.00 -0.02 -0.13 -0.62 -0.29 0.00 0.00 176.35 175.30 2wk3 s ASP 91 N 0.17 2.32 -0.23 3.68 2.15 -0.27 -1.06 116.67 123.43 2wk3 s ASP 91 Ca -0.01 -0.39 -0.09 0.00 0.43 0.00 0.00 52.55 52.48 2wk3 s ASP 91 Cb -0.02 -1.00 -0.05 0.00 -0.30 0.00 0.00 42.92 41.55 2wk3 s ASP 91 CO -0.00 -0.03 0.13 -0.69 -0.17 0.00 0.00 175.17 174.40 2wk3 s VAL 92 N 1.22 5.10 0.00 1.11 1.01 0.15 -1.22 120.40 127.78 2wk3 s VAL 92 Ca -0.03 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 2wk3 s VAL 92 Cb -0.14 -3.37 -0.23 0.00 0.00 0.00 0.00 36.38 32.64 2wk3 s VAL 92 CO -0.04 0.36 3.19 1.57 0.00 0.00 0.00 175.10 180.18 2wk3 n HIS 93 N 4.26 0.00 -3.89 5.22 -0.00 -0.05 -1.35 115.22 119.41 2wk3 n HIS 93 Ca -0.15 -1.30 -0.11 0.00 0.46 0.00 0.00 57.72 56.62 2wk3 n HIS 93 Cb 0.52 -1.42 -0.13 0.00 -0.12 0.00 0.00 29.99 28.84 2wk3 n HIS 93 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 2wk3 s ILE 94 N 1.22 0.03 0.00 3.57 -1.09 -0.53 -4.71 121.20 119.68 2wk3 s ILE 94 Ca 0.57 -0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.77 2wk3 s ILE 94 Cb 0.27 -0.09 0.00 0.00 -1.58 0.00 0.00 42.46 41.06 2wk3 s ILE 94 CO 0.00 -0.12 0.00 0.61 -1.23 0.00 0.00 174.94 174.20 2wk3 n GLY 95 N 2.70 3.73 0.35 6.18 0.00 -1.16 -2.25 105.19 114.74 2wk3 n GLY 95 Ca -0.15 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.61 2wk3 n GLY 95 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wk3 h SER 96 N 0.00 0.25 0.19 1.61 0.02 -0.34 0.24 113.55 115.52 2wk3 h SER 96 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2wk3 h SER 96 Cb 0.00 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2wk3 h SER 96 CO 0.00 0.15 0.00 0.18 -1.14 0.00 0.00 176.83 176.02 2wk3 n LEU 97 N -4.45 0.57 -0.63 5.07 4.32 -0.13 -1.21 117.00 120.53 2wk3 n LEU 97 Ca 0.09 0.73 0.07 0.00 -0.02 0.00 0.00 56.01 56.88 2wk3 n LEU 97 Cb 0.42 -0.76 0.10 0.00 -1.62 0.00 0.00 43.42 41.56 2wk3 n LEU 97 CO 0.35 -0.84 0.53 -1.20 -1.22 0.00 0.00 177.39 175.01 2wk3 n SER 98 N -2.23 2.46 -4.57 -1.43 7.64 0.85 -4.91 113.62 111.43 2wk3 n SER 98 Ca -0.00 -1.70 -0.38 0.00 1.01 0.00 0.00 58.87 57.79 2wk3 n SER 98 Cb 0.08 -0.09 0.05 0.00 -1.01 0.00 0.00 64.21 63.24 2wk3 n SER 98 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2wk3 n ASP 99 N 0.78 0.28 -4.77 6.43 10.43 -0.35 -4.91 116.55 124.44 2wk3 n ASP 99 Ca 0.10 0.80 -0.39 0.00 2.57 0.00 0.00 54.79 57.86 2wk3 n ASP 99 Cb 0.38 -1.33 -0.00 0.00 1.84 0.00 0.00 41.12 42.02 2wk3 n ASP 99 CO 0.00 0.00 0.00 -2.84 -1.07 0.00 0.00 177.20 173.29 2wk3 s PRO 100 N -2.53 3.92 0.59 -0.24 0.02 -1.26 -4.89 135.00 130.61 2wk3 s PRO 100 Ca 0.73 2.19 0.39 0.00 0.02 0.00 0.00 61.00 64.34 2wk3 s PRO 100 Cb -0.43 -2.74 2.07 0.00 0.02 0.00 0.00 34.50 33.42 2wk3 s PRO 100 CO 0.50 -0.55 2.20 -1.00 -0.33 0.00 0.00 177.00 177.82 2wk3 h PRO 101 N 2.61 0.00 -0.35 5.54 0.13 -1.99 -1.92 132.00 136.02 2wk3 h PRO 101 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2wk3 h PRO 101 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2wk3 h PRO 101 CO 0.62 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.66 2wk3 n ASN 102 N -2.94 3.02 -3.23 1.44 2.04 -1.26 -4.51 115.26 109.82 2wk3 n ASN 102 Ca -0.02 -1.90 -0.24 0.00 -0.44 0.00 0.00 54.58 51.97 2wk3 n ASN 102 Cb 0.10 -0.23 -0.07 0.00 -2.53 0.00 0.00 39.78 37.05 2wk3 n ASN 102 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 2wk3 n ILE 103 N 0.92 -0.31 -1.62 1.53 5.41 -0.72 -4.87 119.36 119.69 2wk3 n ILE 103 Ca 0.14 -4.16 -0.50 0.00 1.00 0.00 0.00 62.75 59.24 2wk3 n ILE 103 Cb 0.47 -1.97 -0.05 0.00 -0.71 0.00 0.00 39.64 37.37 2wk3 n ILE 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wk3 n ALA 104 N 1.37 -0.05 -0.21 -1.39 0.00 -1.25 -2.38 120.51 116.59 2wk3 n ALA 104 Ca 0.22 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.15 2wk3 n ALA 104 Cb 0.51 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.77 2wk3 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wk3 n GLY 105 N 2.93 0.62 0.27 0.00 0.00 -1.23 -4.29 105.19 103.50 2wk3 n GLY 105 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 2wk3 n GLY 105 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wk3 h LEU 106 N 0.00 -0.76 -1.35 0.99 5.85 -1.77 -0.18 115.31 118.09 2wk3 h LEU 106 Ca 0.00 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 2wk3 h LEU 106 Cb 0.00 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2wk3 h LEU 106 CO 0.00 -0.28 -0.03 0.77 -0.34 0.00 0.00 178.44 178.56 2wk3 h SER 107 N -0.27 0.37 -0.33 1.25 4.64 -1.90 0.38 113.55 117.69 2wk3 h SER 107 Ca 0.12 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.32 2wk3 h SER 107 Cb 0.45 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 2wk3 h SER 107 CO -0.35 0.45 -0.03 -0.74 -0.87 0.00 0.00 176.83 175.29 2wk3 h HIS 108 N 0.38 0.66 -0.64 4.77 -0.00 -1.72 -1.27 115.15 117.34 2wk3 h HIS 108 Ca 0.08 -0.13 -0.04 0.00 -0.00 0.00 0.00 60.37 60.29 2wk3 h HIS 108 Cb 0.30 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.52 2wk3 h HIS 108 CO 0.01 0.74 0.23 0.35 -0.00 0.00 0.00 177.93 179.26 2wk3 h PHE 109 N 0.39 0.99 -0.67 5.26 3.57 -0.16 -1.32 116.94 125.00 2wk3 h PHE 109 Ca 0.09 -0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.56 2wk3 h PHE 109 Cb 0.50 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 2wk3 h PHE 109 CO 0.04 0.79 0.39 1.25 -2.23 0.00 0.00 178.31 178.55 2wk3 h LEU 110 N 0.90 0.59 -1.37 0.59 6.46 -0.18 0.20 115.31 122.50 2wk3 h LEU 110 Ca 0.21 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 58.02 2wk3 h LEU 110 Cb 0.24 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.04 2wk3 h LEU 110 CO -0.01 0.39 0.45 -0.61 -0.62 0.00 0.00 178.44 178.03 2wk3 h GLN 111 N 0.72 0.81 -0.38 1.25 -0.00 -0.29 -0.43 115.11 116.79 2wk3 h GLN 111 Ca 0.30 -0.05 -0.06 0.00 -0.00 0.00 0.00 58.65 58.84 2wk3 h GLN 111 Cb 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 27.43 2wk3 h GLN 111 CO -0.17 0.54 0.01 0.45 0.00 0.00 0.00 178.83 179.66 2wk3 h HIS 112 N 0.84 0.73 -0.09 3.99 3.86 0.04 -3.27 115.15 121.24 2wk3 h HIS 112 Ca 0.27 -0.12 -0.06 0.00 -1.16 0.00 0.00 60.37 59.30 2wk3 h HIS 112 Cb 0.03 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 2wk3 h HIS 112 CO -0.00 0.75 -0.20 0.52 0.86 0.00 0.00 177.93 179.86 2wk3 h MET 113 N 0.49 0.15 0.00 2.45 2.86 0.40 -2.45 114.93 118.83 2wk3 h MET 113 Ca 0.11 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2wk3 h MET 113 Cb 0.45 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.10 2wk3 h MET 113 CO 0.02 0.35 0.05 -0.07 1.06 0.00 0.00 176.91 178.32 2wk3 h LEU 114 N 0.14 0.00 -0.02 1.22 3.38 -1.29 -0.17 115.31 118.57 2wk3 h LEU 114 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2wk3 h LEU 114 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2wk3 h LEU 114 CO 0.03 0.00 -0.05 0.49 0.09 0.00 0.00 178.44 179.00 2wk3 n PHE 115 N -2.49 0.00 -0.82 1.13 3.01 -0.92 -4.32 117.46 113.06 2wk3 n PHE 115 Ca -0.02 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.52 2wk3 n PHE 115 Cb 0.09 -0.38 0.28 0.00 -0.01 0.00 0.00 39.48 39.47 2wk3 n PHE 115 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2wk3 n LEU 116 N -1.37 4.15 0.00 4.37 4.77 -0.08 -4.74 117.00 124.11 2wk3 n LEU 116 Ca 0.10 -2.79 0.00 0.00 -0.03 0.00 0.00 56.01 53.29 2wk3 n LEU 116 Cb 0.30 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 2wk3 n LEU 116 CO 0.26 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 2wk3 n GLY 117 N 0.02 4.00 3.22 -0.72 0.00 -1.24 -4.39 105.19 106.07 2wk3 n GLY 117 Ca 0.21 -1.45 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 2wk3 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wk3 s THR 118 N -1.65 0.28 -0.34 2.61 -4.23 -0.45 -0.14 115.64 111.72 2wk3 s THR 118 Ca 0.00 -1.97 0.07 0.00 -1.18 0.00 0.00 61.69 58.61 2wk3 s THR 118 Cb 0.00 -2.35 0.50 0.00 1.34 0.00 0.00 72.50 71.99 2wk3 s THR 118 CO 0.00 -0.21 1.49 1.17 -0.54 0.00 0.00 174.62 176.53 2wk3 n LYS 119 N -0.26 2.28 0.08 3.99 4.81 -1.07 -0.34 118.16 127.64 2wk3 n LYS 119 Ca -0.02 -3.40 -0.21 0.00 -0.87 0.00 0.00 58.31 53.81 2wk3 n LYS 119 Cb 0.65 -1.97 -0.15 0.00 0.02 0.00 0.00 35.03 33.58 2wk3 n LYS 119 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2wk3 h LYS 120 N 1.35 0.38 -2.61 1.64 3.64 -1.97 -3.43 116.57 115.56 2wk3 h LYS 120 Ca 0.31 -0.64 -0.60 0.00 -1.27 0.00 0.00 60.65 58.44 2wk3 h LYS 120 Cb 1.57 0.24 -0.41 0.00 -0.41 0.00 0.00 32.23 33.21 2wk3 h LYS 120 CO 0.62 1.28 -0.67 0.66 -2.27 0.00 0.00 179.45 179.06 2wk3 n TYR 121 N -3.57 2.56 0.37 1.91 4.02 -1.02 -4.94 117.16 116.49 2wk3 n TYR 121 Ca -0.20 -4.08 0.13 0.00 -0.01 0.00 0.00 57.90 53.74 2wk3 n TYR 121 Cb 1.07 -0.47 0.54 0.00 -0.02 0.00 0.00 39.34 40.46 2wk3 n TYR 121 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2wk3 h PRO 122 N 4.90 0.00 -6.27 -0.72 0.13 -0.97 -1.19 132.00 127.87 2wk3 h PRO 122 Ca 0.17 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.76 2wk3 h PRO 122 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2wk3 h PRO 122 CO 0.69 0.00 1.19 0.21 -0.23 0.00 0.00 178.00 179.87 2wk3 s LYS 123 N -3.40 3.99 0.28 0.86 2.20 -1.26 -4.64 119.74 117.77 2wk3 s LYS 123 Ca 0.03 2.25 -0.04 0.00 -0.36 0.00 0.00 55.97 57.85 2wk3 s LYS 123 Cb 0.09 -4.10 0.56 0.00 -1.51 0.00 0.00 37.83 32.87 2wk3 s LYS 123 CO 0.43 -1.10 1.59 1.49 -0.36 0.00 0.00 175.35 177.40 2wk3 h GLU 124 N 10.73 0.03 -0.52 4.03 4.81 -1.86 -0.43 114.58 131.37 2wk3 h GLU 124 Ca -0.42 -0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.64 2wk3 h GLU 124 Cb 1.20 -0.01 -0.10 0.00 0.63 0.00 0.00 28.75 30.48 2wk3 h GLU 124 CO 0.96 0.02 0.13 0.27 -0.73 0.00 0.00 179.01 179.66 2wk3 n ASN 125 N -5.50 3.91 -0.18 1.04 2.04 -1.26 -3.69 115.26 111.63 2wk3 n ASN 125 Ca 0.18 -3.33 -0.07 0.00 -0.44 0.00 0.00 54.58 50.92 2wk3 n ASN 125 Cb 0.59 -0.67 0.02 0.00 -2.53 0.00 0.00 39.78 37.19 2wk3 n ASN 125 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 2wk3 h GLU 126 N 1.90 0.69 0.54 -3.83 4.57 -1.39 0.07 114.58 117.13 2wk3 h GLU 126 Ca 0.20 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.31 2wk3 h GLU 126 Cb 1.95 -0.15 0.01 0.00 -0.16 0.00 0.00 28.75 30.40 2wk3 h GLU 126 CO 0.53 0.47 -0.26 -0.92 -1.18 0.00 0.00 179.01 177.65 2wk3 h TYR 127 N 0.70 -0.67 0.00 0.92 5.03 -1.83 -0.05 116.97 121.07 2wk3 h TYR 127 Ca 0.19 -0.02 -0.14 0.00 2.58 0.00 0.00 58.73 61.34 2wk3 h TYR 127 Cb -0.07 0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.42 2wk3 h TYR 127 CO -0.04 -0.38 -0.67 0.66 -1.32 0.00 0.00 178.16 176.41 2wk3 h SER 128 N -0.82 0.00 -0.47 -2.11 4.64 -1.83 -1.91 113.55 111.05 2wk3 h SER 128 Ca -0.07 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 2wk3 h SER 128 Cb 0.59 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 2wk3 h SER 128 CO 0.12 0.67 0.20 -0.61 -0.87 0.00 0.00 176.83 176.35 2wk3 h GLN 129 N 0.00 0.69 -0.42 4.77 4.15 -0.95 -1.43 115.11 121.91 2wk3 h GLN 129 Ca -0.01 -0.11 0.07 0.00 0.77 0.00 0.00 58.65 59.37 2wk3 h GLN 129 Cb 1.27 -0.12 -0.06 0.00 0.21 0.00 0.00 27.48 28.79 2wk3 h GLN 129 CO 0.09 0.60 0.08 0.35 -1.93 0.00 0.00 178.83 178.02 2wk3 h PHE 130 N 0.61 0.13 -0.75 3.99 3.57 -0.57 -0.90 116.94 123.01 2wk3 h PHE 130 Ca 0.16 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 2wk3 h PHE 130 Cb 0.16 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 2wk3 h PHE 130 CO -0.00 0.01 0.35 -0.07 -2.23 0.00 0.00 178.31 176.36 2wk3 h LEU 131 N 0.21 1.00 -0.87 0.59 3.38 -1.24 -2.51 115.31 115.87 2wk3 h LEU 131 Ca 0.20 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2wk3 h LEU 131 Cb 0.25 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2wk3 h LEU 131 CO -0.27 0.86 0.41 -1.28 0.09 0.00 0.00 178.44 178.25 2wk3 h SER 132 N 1.06 1.11 0.82 -0.43 0.87 -0.81 0.93 113.55 117.10 2wk3 h SER 132 Ca 0.26 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2wk3 h SER 132 Cb 0.14 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 2wk3 h SER 132 CO -0.03 0.93 0.00 -0.62 -0.53 0.00 0.00 176.83 176.58 2wk3 n GLU 133 N -4.30 0.14 -0.76 2.24 1.02 -0.38 -3.23 120.64 115.37 2wk3 n GLU 133 Ca 0.08 0.02 0.06 0.00 -0.02 0.00 0.00 57.16 57.30 2wk3 n GLU 133 Cb 0.14 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.24 2wk3 n GLU 133 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2wk3 n HIS 134 N -1.43 0.00 -1.80 -0.32 8.25 -0.58 -4.55 115.22 114.78 2wk3 n HIS 134 Ca 0.09 -1.32 -0.15 0.00 -0.26 0.00 0.00 57.72 56.08 2wk3 n HIS 134 Cb 0.30 -0.23 -0.04 0.00 1.12 0.00 0.00 29.99 31.13 2wk3 n HIS 134 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wk3 n ALA 135 N -0.83 -0.32 -3.43 -1.41 0.00 -0.63 -2.11 120.51 111.78 2wk3 n ALA 135 Ca 0.17 0.19 -0.26 0.00 0.00 0.00 0.00 53.44 53.54 2wk3 n ALA 135 Cb 0.77 -1.67 0.04 0.00 0.00 0.00 0.00 19.45 18.59 2wk3 n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wk3 n GLY 136 N -1.08 2.33 3.46 0.00 0.00 0.31 -4.37 105.19 105.84 2wk3 n GLY 136 Ca -0.16 -2.26 -0.10 0.00 0.00 0.00 0.00 46.02 43.49 2wk3 n GLY 136 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wk3 s SER 137 N -4.41 -0.48 0.09 1.61 1.04 -0.29 -4.26 113.70 107.00 2wk3 s SER 137 Ca 0.47 0.01 -0.21 0.00 0.48 0.00 0.00 55.95 56.70 2wk3 s SER 137 Cb -0.04 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.64 2wk3 s SER 137 CO 0.30 -0.81 0.50 -0.55 0.98 0.00 0.00 173.24 173.65 2wk3 s SER 138 N -2.62 -0.40 0.17 7.02 0.15 -1.26 -0.96 113.70 115.81 2wk3 s SER 138 Ca 0.03 0.01 -0.23 0.00 0.70 0.00 0.00 55.95 56.46 2wk3 s SER 138 Cb -0.01 0.50 0.08 0.00 -1.71 0.00 0.00 66.02 64.88 2wk3 s SER 138 CO -0.11 -0.79 1.03 0.21 1.20 0.00 0.00 173.24 174.78 2wk3 s ASN 139 N -2.32 -0.02 0.09 5.45 3.84 -0.79 -5.02 114.94 116.16 2wk3 s ASN 139 Ca -0.02 -0.62 -0.25 0.00 0.21 0.00 0.00 52.86 52.18 2wk3 s ASN 139 Cb -0.00 0.49 0.07 0.00 -0.55 0.00 0.00 41.25 41.25 2wk3 s ASN 139 CO -0.06 -0.96 0.60 0.00 -2.79 0.00 0.00 177.10 173.89 2wk3 s ALA 140 N -2.35 -1.59 0.03 1.71 0.00 -1.26 -1.52 121.76 116.79 2wk3 s ALA 140 Ca 0.20 0.70 -0.00 0.00 0.00 0.00 0.00 51.96 52.86 2wk3 s ALA 140 Cb -0.02 0.59 -0.03 0.00 0.00 0.00 0.00 23.12 23.66 2wk3 s ALA 140 CO 0.05 -0.63 -0.03 -0.59 0.00 0.00 0.00 175.76 174.56 2wk3 s PHE 141 N -2.93 0.36 -0.20 0.00 -0.71 -0.41 -4.98 117.98 109.11 2wk3 s PHE 141 Ca -0.03 -0.73 -0.05 0.00 -1.04 0.00 0.00 56.93 55.08 2wk3 s PHE 141 Cb -0.01 -0.27 -0.02 0.00 -1.21 0.00 0.00 43.02 41.52 2wk3 s PHE 141 CO -0.06 -0.26 -0.01 0.99 -1.34 0.00 0.00 175.22 174.54 2wk3 s THR 142 N -2.39 3.83 0.00 -4.49 2.01 -1.26 -1.18 115.64 112.15 2wk3 s THR 142 Ca -0.07 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 61.57 2wk3 s THR 142 Cb -0.03 -2.73 0.00 0.00 0.01 0.00 0.00 72.50 69.75 2wk3 s THR 142 CO -0.04 0.43 0.00 -1.54 -0.69 0.00 0.00 174.62 172.78 2wk3 n SER 143 N 4.29 1.42 -0.07 3.53 3.41 -0.44 -4.94 113.62 120.82 2wk3 n SER 143 Ca -0.17 -0.67 -0.07 0.00 -0.26 0.00 0.00 58.87 57.69 2wk3 n SER 143 Cb 0.52 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.46 2wk3 n SER 143 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2wk3 h GLY 144 N 0.00 0.33 -0.17 5.00 0.00 -1.94 -1.56 103.07 104.73 2wk3 h GLY 144 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2wk3 h GLY 144 CO 0.00 0.01 0.00 1.18 0.00 0.00 0.00 176.54 177.73 2wk3 n GLU 145 N -5.06 2.75 -3.77 4.80 1.02 -1.26 -0.95 120.64 118.17 2wk3 n GLU 145 Ca -0.01 -1.73 -0.13 0.00 -0.02 0.00 0.00 57.16 55.27 2wk3 n GLU 145 Cb 0.11 -1.11 -0.09 0.00 -0.02 0.00 0.00 31.44 30.33 2wk3 n GLU 145 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2wk3 s HIS 146 N -1.29 -0.19 -0.07 -0.32 3.76 -1.12 -1.46 115.29 114.60 2wk3 s HIS 146 Ca 0.08 0.31 -0.00 0.00 -0.15 0.00 0.00 55.06 55.30 2wk3 s HIS 146 Cb 0.06 0.09 0.02 0.00 1.11 0.00 0.00 32.58 33.86 2wk3 s HIS 146 CO 0.02 -0.36 -0.04 0.99 -0.85 0.00 0.00 174.74 174.51 2wk3 s THR 147 N -1.15 0.59 -0.13 1.30 2.01 -0.45 -1.32 115.64 116.48 2wk3 s THR 147 Ca -0.12 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 61.80 2wk3 s THR 147 Cb -0.05 -0.66 0.03 0.00 0.01 0.00 0.00 72.50 71.83 2wk3 s THR 147 CO 0.04 0.27 -0.06 0.21 -0.69 0.00 0.00 174.62 174.39 2wk3 s ASN 148 N 1.46 2.36 0.07 3.53 3.84 -0.33 -0.67 114.94 125.21 2wk3 s ASN 148 Ca -0.02 -0.41 0.07 0.00 0.21 0.00 0.00 52.86 52.71 2wk3 s ASN 148 Cb -0.13 -0.83 -0.04 0.00 -0.55 0.00 0.00 41.25 39.70 2wk3 s ASN 148 CO -0.03 -0.15 -0.15 -0.31 -2.79 0.00 0.00 177.10 173.67 2wk3 s TYR 149 N 1.71 2.64 -0.03 0.43 1.51 -0.22 -1.29 117.35 122.09 2wk3 s TYR 149 Ca 0.04 -0.21 -0.30 0.00 -1.01 0.00 0.00 57.07 55.59 2wk3 s TYR 149 Cb -0.13 -1.44 0.07 0.00 -0.11 0.00 0.00 41.96 40.34 2wk3 s TYR 149 CO -0.08 0.34 0.66 1.52 -1.11 0.00 0.00 175.55 176.88 2wk3 s TYR 150 N -1.06 -0.63 0.09 2.71 -0.85 -0.57 -1.27 117.35 115.76 2wk3 s TYR 150 Ca 0.17 1.02 -0.05 0.00 -0.52 0.00 0.00 57.07 57.69 2wk3 s TYR 150 Cb -0.11 0.42 -0.02 0.00 0.38 0.00 0.00 41.96 42.63 2wk3 s TYR 150 CO 0.09 -0.63 0.11 -0.59 -1.52 0.00 0.00 175.55 173.00 2wk3 s PHE 151 N -1.48 0.41 0.20 -3.49 -0.12 -0.35 -1.89 117.98 111.25 2wk3 s PHE 151 Ca -0.10 -0.86 0.06 0.00 -0.05 0.00 0.00 56.93 55.98 2wk3 s PHE 151 Cb -0.00 -0.23 -0.05 0.00 -0.63 0.00 0.00 43.02 42.11 2wk3 s PHE 151 CO 0.07 -0.51 -0.10 0.16 -0.05 0.00 0.00 175.22 174.80 2wk3 s ASP 152 N -2.92 2.22 0.04 1.98 3.84 -0.13 -2.28 116.67 119.42 2wk3 s ASP 152 Ca 0.10 -1.07 -0.27 0.00 -0.00 0.00 0.00 52.55 51.31 2wk3 s ASP 152 Cb 0.06 -0.07 0.09 0.00 -1.38 0.00 0.00 42.92 41.62 2wk3 s ASP 152 CO -0.08 -0.30 0.76 0.54 -0.00 0.00 0.00 175.17 176.10 2wk3 s VAL 153 N -3.17 0.00 0.31 2.11 0.11 -0.60 -1.14 120.40 118.03 2wk3 s VAL 153 Ca 0.22 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.98 2wk3 s VAL 153 Cb 0.02 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.75 2wk3 s VAL 153 CO 0.06 0.00 1.50 -0.24 -3.33 0.00 0.00 175.10 173.09 2wk3 n SER 154 N -0.12 3.53 0.18 3.54 2.88 -0.90 0.13 113.62 122.87 2wk3 n SER 154 Ca -0.13 1.17 0.18 0.00 -1.33 0.00 0.00 58.87 58.77 2wk3 n SER 154 Cb 0.62 -1.56 0.76 0.00 -0.75 0.00 0.00 64.21 63.28 2wk3 n SER 154 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 2wk3 h HIS 155 N 3.94 0.00 0.00 0.66 2.07 -1.64 0.47 115.15 120.65 2wk3 h HIS 155 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 2wk3 h HIS 155 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 2wk3 h HIS 155 CO 0.56 0.00 0.00 -1.91 -3.07 0.00 0.00 177.93 173.51 2wk3 n GLU 156 N -3.39 0.02 -0.18 5.12 2.13 -1.26 -3.74 120.64 119.34 2wk3 n GLU 156 Ca 0.04 0.13 0.07 0.00 0.66 0.00 0.00 57.16 58.05 2wk3 n GLU 156 Cb 0.55 -1.53 0.09 0.00 0.27 0.00 0.00 31.44 30.81 2wk3 n GLU 156 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2wk3 n HIS 157 N -1.58 0.00 -0.28 4.31 8.25 0.16 -4.79 115.22 121.29 2wk3 n HIS 157 Ca 0.05 -0.68 -0.04 0.00 -0.26 0.00 0.00 57.72 56.79 2wk3 n HIS 157 Cb 0.27 -0.11 0.01 0.00 1.12 0.00 0.00 29.99 31.28 2wk3 n HIS 157 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2wk3 h LEU 158 N 0.00 -1.32 -0.37 2.41 6.46 -1.65 -1.68 115.31 119.17 2wk3 h LEU 158 Ca 0.00 0.26 -0.00 0.00 -0.12 0.00 0.00 57.88 58.02 2wk3 h LEU 158 Cb 1.09 0.66 -0.02 0.00 -0.73 0.00 0.00 40.66 41.66 2wk3 h LEU 158 CO 0.00 -0.30 0.22 -0.08 -0.62 0.00 0.00 178.44 177.66 2wk3 h GLU 159 N -0.10 0.50 -0.75 1.25 4.81 -1.91 0.61 114.58 118.99 2wk3 h GLU 159 Ca 0.27 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2wk3 h GLU 159 Cb 0.57 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 2wk3 h GLU 159 CO -0.80 0.37 0.45 0.78 -0.73 0.00 0.00 179.01 179.08 2wk3 h GLY 160 N 0.48 1.08 0.91 1.92 0.00 -1.88 0.71 103.07 106.29 2wk3 h GLY 160 Ca 0.13 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 2wk3 h GLY 160 CO -0.02 0.44 0.04 0.00 0.00 0.00 0.00 176.54 176.99 2wk3 h ALA 161 N 1.24 0.45 -0.28 3.60 0.00 -0.82 -2.64 119.26 120.81 2wk3 h ALA 161 Ca 0.27 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2wk3 h ALA 161 Cb -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2wk3 h ALA 161 CO -0.05 0.17 -0.31 1.25 0.00 0.00 0.00 179.25 180.31 2wk3 h LEU 162 N 0.40 0.60 -0.14 0.00 5.85 0.92 -1.28 115.31 121.66 2wk3 h LEU 162 Ca 0.10 -0.23 -0.15 0.00 0.84 0.00 0.00 57.88 58.44 2wk3 h LEU 162 Cb 0.37 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.24 2wk3 h LEU 162 CO 0.01 0.88 -0.49 -0.78 -0.34 0.00 0.00 178.44 177.71 2wk3 h ASP 163 N 0.50 0.67 -0.93 1.25 -0.00 -0.88 0.34 116.42 117.37 2wk3 h ASP 163 Ca 0.06 -0.61 0.07 0.00 -0.00 0.00 0.00 57.03 56.56 2wk3 h ASP 163 Cb 0.78 -0.20 -0.07 0.00 -0.00 0.00 0.00 39.33 39.85 2wk3 h ASP 163 CO 0.06 1.17 0.58 0.03 -0.00 0.00 0.00 179.24 181.09 2wk3 h ARG 164 N 0.22 1.01 -0.31 0.28 3.08 -1.10 -2.63 114.38 114.92 2wk3 h ARG 164 Ca -0.02 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 2wk3 h ARG 164 Cb 1.12 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 2wk3 h ARG 164 CO 0.10 0.67 0.05 0.35 -1.07 0.00 0.00 179.97 180.07 2wk3 h PHE 165 N 1.04 0.54 -0.29 3.04 3.04 -0.88 -3.05 116.94 120.38 2wk3 h PHE 165 Ca 0.42 -0.07 -0.00 0.00 3.98 0.00 0.00 57.97 62.29 2wk3 h PHE 165 Cb 0.23 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.58 2wk3 h PHE 165 CO -0.02 0.59 0.16 0.00 -2.02 0.00 0.00 178.31 177.02 2wk3 h ALA 166 N 0.88 1.74 -0.22 2.41 0.00 0.02 -1.31 119.26 122.78 2wk3 h ALA 166 Ca 0.09 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2wk3 h ALA 166 Cb 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2wk3 h ALA 166 CO 0.01 0.22 0.18 1.96 0.00 0.00 0.00 179.25 181.62 2wk3 h GLN 167 N 0.39 0.00 -0.24 0.00 1.08 -1.38 -0.49 115.11 114.47 2wk3 h GLN 167 Ca 0.10 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.37 2wk3 h GLN 167 Cb 0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 2wk3 h GLN 167 CO -0.02 0.00 0.31 0.74 -0.95 0.00 0.00 178.83 178.91 2wk3 h PHE 168 N 0.00 0.00 -0.01 2.96 -1.00 -1.34 -1.06 116.94 116.50 2wk3 h PHE 168 Ca 0.11 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.89 2wk3 h PHE 168 Cb 0.47 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.03 2wk3 h PHE 168 CO 0.00 0.00 -0.38 1.19 -1.61 0.00 0.00 178.31 177.51 2wk3 n PHE 169 N -3.59 0.00 -0.04 -0.55 3.72 -0.20 -4.37 117.46 112.43 2wk3 n PHE 169 Ca 0.03 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.38 2wk3 n PHE 169 Cb 0.44 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.97 2wk3 n PHE 169 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2wk3 n LEU 170 N -0.53 1.19 -3.20 4.37 4.77 -0.48 -4.87 117.00 118.25 2wk3 n LEU 170 Ca 0.05 0.20 -0.23 0.00 -0.03 0.00 0.00 56.01 55.99 2wk3 n LEU 170 Cb 0.26 -0.57 -0.07 0.00 -2.33 0.00 0.00 43.42 40.71 2wk3 n LEU 170 CO 0.20 -0.42 -0.25 -1.54 -1.33 0.00 0.00 177.39 174.05 2wk3 n SER 171 N -3.69 -0.41 -4.75 -1.43 3.41 -0.70 -5.08 113.62 100.97 2wk3 n SER 171 Ca -0.07 -2.65 -0.42 0.00 -0.26 0.00 0.00 58.87 55.46 2wk3 n SER 171 Cb 0.28 -0.32 -0.01 0.00 -0.26 0.00 0.00 64.21 63.89 2wk3 n SER 171 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2wk3 n PRO 172 N 1.91 2.67 -0.03 4.33 -0.04 -1.25 -2.61 135.00 139.98 2wk3 n PRO 172 Ca 0.23 0.95 -0.00 0.00 -0.04 0.00 0.00 63.50 64.63 2wk3 n PRO 172 Cb 0.52 -2.71 0.28 0.00 -0.04 0.00 0.00 33.50 31.55 2wk3 n PRO 172 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2wk3 h LEU 173 N 4.37 0.55 -1.94 1.53 3.38 -0.82 -3.46 115.31 118.91 2wk3 h LEU 173 Ca -0.48 -0.10 -0.54 0.00 0.09 0.00 0.00 57.88 56.86 2wk3 h LEU 173 Cb 1.23 -0.14 -0.21 0.00 0.09 0.00 0.00 40.66 41.63 2wk3 h LEU 173 CO 0.76 0.59 -0.83 0.49 0.09 0.00 0.00 178.44 179.54 2wk3 n PHE 174 N -4.29 -1.08 -1.60 1.13 3.01 -1.26 -4.84 117.46 108.53 2wk3 n PHE 174 Ca 0.02 0.54 -0.41 0.00 1.01 0.00 0.00 57.45 58.61 2wk3 n PHE 174 Cb 0.23 -2.30 0.02 0.00 -0.01 0.00 0.00 39.48 37.41 2wk3 n PHE 174 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2wk3 n ASP 175 N -2.40 1.09 -0.02 4.37 2.03 -1.26 -4.77 116.55 115.59 2wk3 n ASP 175 Ca -0.23 1.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.95 2wk3 n ASP 175 Cb 0.57 -1.35 -0.01 0.00 -0.72 0.00 0.00 41.12 39.62 2wk3 n ASP 175 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2wk3 h GLU 176 N 1.38 0.71 0.00 -0.67 4.57 -2.00 0.28 114.58 118.85 2wk3 h GLU 176 Ca -0.45 -0.50 -0.20 0.00 -1.18 0.00 0.00 59.36 57.04 2wk3 h GLU 176 Cb 1.34 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.98 2wk3 h GLU 176 CO 0.56 1.12 -0.94 0.66 -1.18 0.00 0.00 179.01 179.22 2wk3 h SER 177 N 0.52 0.00 -0.18 1.04 4.64 -2.00 -2.22 113.55 115.36 2wk3 h SER 177 Ca -0.01 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.19 2wk3 h SER 177 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 2wk3 h SER 177 CO 0.13 0.93 -0.30 0.00 -0.87 0.00 0.00 176.83 176.72 2wk3 h ALA 178 N 1.07 0.88 -0.10 5.18 0.00 -1.85 -2.42 119.26 122.02 2wk3 h ALA 178 Ca -0.01 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.52 2wk3 h ALA 178 Cb 1.72 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 2wk3 h ALA 178 CO 0.12 0.63 -0.03 -0.22 0.00 0.00 0.00 179.25 179.75 2wk3 h LYS 179 N 0.58 -0.01 -0.05 0.00 3.64 -0.84 0.85 116.57 120.74 2wk3 h LYS 179 Ca 0.07 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2wk3 h LYS 179 Cb 0.80 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2wk3 h LYS 179 CO 0.07 -0.01 0.04 -0.44 -2.27 0.00 0.00 179.45 176.84 2wk3 h ASP 180 N -0.01 0.00 0.00 4.20 3.32 -1.25 -2.34 116.42 120.34 2wk3 h ASP 180 Ca 0.05 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 2wk3 h ASP 180 Cb 0.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 2wk3 h ASP 180 CO -0.11 0.00 -0.68 0.03 -1.72 0.00 0.00 179.24 176.76 2wk3 h ARG 181 N 0.00 0.00 0.00 3.56 3.08 -0.95 -3.36 114.38 116.71 2wk3 h ARG 181 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2wk3 h ARG 181 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2wk3 h ARG 181 CO -0.00 0.69 0.00 1.49 -1.07 0.00 0.00 179.97 181.08 2wk3 h GLU 182 N -1.00 0.00 0.00 0.04 4.57 -0.79 -1.31 114.58 116.08 2wk3 h GLU 182 Ca -0.16 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 57.98 2wk3 h GLU 182 Cb 0.93 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 2wk3 h GLU 182 CO -0.10 0.00 -0.17 -0.24 -1.18 0.00 0.00 179.01 177.32 2wk3 h VAL 183 N 0.00 0.76 -0.58 0.32 3.04 -1.57 -1.63 116.25 116.59 2wk3 h VAL 183 Ca 0.00 -0.69 -0.07 0.00 -1.01 0.00 0.00 66.70 64.94 2wk3 h VAL 183 Cb 0.21 1.42 -0.02 0.00 -2.01 0.00 0.00 31.29 30.88 2wk3 h VAL 183 CO 0.00 0.17 0.09 0.78 -1.01 0.00 0.00 177.57 177.60 2wk3 h ASN 184 N 0.00 0.88 -0.63 3.17 4.21 -1.45 0.70 115.58 122.46 2wk3 h ASN 184 Ca -0.00 -0.19 -0.06 0.00 1.21 0.00 0.00 56.30 57.26 2wk3 h ASN 184 Cb 0.40 -0.23 -0.03 0.00 -1.12 0.00 0.00 38.32 37.35 2wk3 h ASN 184 CO 0.02 0.89 0.16 0.00 -1.29 0.00 0.00 177.43 177.21 2wk3 h ALA 185 N 1.22 0.83 -0.27 -0.83 0.00 -1.43 0.10 119.26 118.87 2wk3 h ALA 185 Ca 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2wk3 h ALA 185 Cb 0.39 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2wk3 h ALA 185 CO 0.01 0.53 0.06 0.28 0.00 0.00 0.00 179.25 180.13 2wk3 h VAL 186 N 0.92 1.22 -0.26 0.00 2.07 -1.11 -1.26 116.25 117.83 2wk3 h VAL 186 Ca 0.20 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 67.00 2wk3 h VAL 186 Cb 0.35 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2wk3 h VAL 186 CO 0.00 0.24 0.15 -0.78 0.02 0.00 0.00 177.57 177.20 2wk3 h ASP 187 N 0.27 0.25 -0.19 0.57 3.58 -0.50 -1.35 116.42 119.05 2wk3 h ASP 187 Ca 0.08 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.55 2wk3 h ASP 187 Cb 0.30 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 2wk3 h ASP 187 CO 0.00 0.18 0.12 -1.28 -2.88 0.00 0.00 179.24 175.39 2wk3 h SER 188 N 0.32 0.18 -0.30 2.28 0.87 -0.73 0.21 113.55 116.38 2wk3 h SER 188 Ca 0.10 -0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.49 2wk3 h SER 188 Cb -0.01 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2wk3 h SER 188 CO -0.04 0.13 -0.46 -0.08 -0.53 0.00 0.00 176.83 175.84 2wk3 h GLU 189 N 0.21 0.87 -0.70 2.24 4.81 -0.17 -1.94 114.58 119.89 2wk3 h GLU 189 Ca 0.07 -0.50 -0.07 0.00 -0.13 0.00 0.00 59.36 58.74 2wk3 h GLU 189 Cb 0.04 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 2wk3 h GLU 189 CO -0.01 1.14 0.18 1.25 -0.73 0.00 0.00 179.01 180.83 2wk3 h HIS 190 N 0.69 1.18 -0.06 0.92 2.76 -0.25 -3.05 115.15 117.33 2wk3 h HIS 190 Ca 0.04 -0.14 0.02 0.00 -2.20 0.00 0.00 60.37 58.09 2wk3 h HIS 190 Cb 1.06 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 29.66 2wk3 h HIS 190 CO 0.06 0.96 -0.05 1.49 -1.30 0.00 0.00 177.93 179.09 2wk3 h GLU 191 N 1.06 -0.06 -1.09 5.26 4.57 -0.32 0.18 114.58 124.17 2wk3 h GLU 191 Ca 0.22 0.00 0.30 0.00 -1.18 0.00 0.00 59.36 58.71 2wk3 h GLU 191 Cb 0.37 0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 28.87 2wk3 h GLU 191 CO 0.00 -0.04 0.70 -0.22 -1.18 0.00 0.00 179.01 178.27 2wk3 h LYS 192 N -0.07 0.32 0.00 1.92 3.64 -1.36 -2.29 116.57 118.74 2wk3 h LYS 192 Ca 0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2wk3 h LYS 192 Cb 0.13 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2wk3 h LYS 192 CO -0.10 0.21 -0.92 0.09 -2.27 0.00 0.00 179.45 176.46 2wk3 n ASN 193 N -4.67 0.75 -0.28 4.20 3.02 0.52 -4.28 115.26 114.51 2wk3 n ASN 193 Ca 0.28 0.18 0.11 0.00 -0.03 0.00 0.00 54.58 55.12 2wk3 n ASN 193 Cb 0.99 0.46 0.35 0.00 -0.61 0.00 0.00 39.78 40.97 2wk3 n ASN 193 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2wk3 h VAL 194 N 0.00 0.85 -0.56 2.41 2.07 -0.62 -1.08 116.25 119.33 2wk3 h VAL 194 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2wk3 h VAL 194 Cb 0.88 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2wk3 h VAL 194 CO 0.00 0.14 0.00 0.23 0.02 0.00 0.00 177.57 177.96 2wk3 n MET 195 N -4.57 2.66 -2.88 1.57 2.81 -1.26 -4.79 117.12 110.66 2wk3 n MET 195 Ca 0.18 -2.41 -0.41 0.00 -1.81 0.00 0.00 57.70 53.25 2wk3 n MET 195 Cb 0.44 -1.48 -0.04 0.00 -0.71 0.00 0.00 33.22 31.44 2wk3 n MET 195 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2wk3 s ASN 196 N -1.08 7.00 0.33 7.83 2.47 -0.41 -4.85 114.94 126.24 2wk3 s ASN 196 Ca 0.40 1.23 0.03 0.00 0.42 0.00 0.00 52.86 54.94 2wk3 s ASN 196 Cb 0.21 -2.46 0.63 0.00 -1.45 0.00 0.00 41.25 38.18 2wk3 s ASN 196 CO 0.28 -0.37 1.94 0.44 -3.72 0.00 0.00 177.10 175.67 2wk3 h ASP 197 N 7.23 0.79 -0.30 -4.21 5.19 -1.91 -2.62 116.42 120.60 2wk3 h ASP 197 Ca -0.31 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.06 2wk3 h ASP 197 Cb 1.14 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.47 2wk3 h ASP 197 CO 0.83 0.51 0.04 0.00 -3.12 0.00 0.00 179.24 177.50 2wk3 h ALA 198 N 1.56 0.40 -0.40 3.45 0.00 -1.94 -1.74 119.26 120.58 2wk3 h ALA 198 Ca 0.35 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2wk3 h ALA 198 Cb 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2wk3 h ALA 198 CO -0.12 0.10 0.18 -1.49 0.00 0.00 0.00 179.25 177.92 2wk3 h TRP 199 N 0.31 0.59 -0.50 0.00 4.06 -1.82 0.72 115.95 119.32 2wk3 h TRP 199 Ca 0.09 -0.04 0.10 0.00 2.06 0.00 0.00 58.89 61.10 2wk3 h TRP 199 Cb 0.36 -0.18 -0.10 0.00 -1.00 0.00 0.00 29.16 28.24 2wk3 h TRP 199 CO 0.03 0.51 -0.22 0.00 -3.56 0.00 0.00 178.44 175.19 2wk3 h ARG 200 N 0.51 -0.10 -0.45 0.49 3.08 -1.46 0.18 114.38 116.64 2wk3 h ARG 200 Ca 0.14 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 2wk3 h ARG 200 Cb 0.15 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2wk3 h ARG 200 CO -0.01 -0.07 0.10 -0.07 -1.07 0.00 0.00 179.97 178.85 2wk3 h LEU 201 N -0.11 0.68 -0.24 3.04 4.07 -1.06 -0.57 115.31 121.12 2wk3 h LEU 201 Ca 0.23 -0.24 0.05 0.00 0.08 0.00 0.00 57.88 58.01 2wk3 h LEU 201 Cb 0.47 -0.18 -0.05 0.00 1.08 0.00 0.00 40.66 41.99 2wk3 h LEU 201 CO -0.57 0.74 -0.05 0.15 -1.08 0.00 0.00 178.44 177.62 2wk3 h PHE 202 N 0.59 -0.12 0.00 1.13 3.04 -0.30 -1.96 116.94 119.33 2wk3 h PHE 202 Ca 0.14 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 61.98 2wk3 h PHE 202 Cb 0.33 0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.91 2wk3 h PHE 202 CO 0.02 -0.10 -0.63 0.37 -2.02 0.00 0.00 178.31 175.95 2wk3 h GLN 203 N 0.01 0.00 -0.62 1.11 5.75 -0.52 -3.17 115.11 117.66 2wk3 h GLN 203 Ca 0.12 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.53 2wk3 h GLN 203 Cb 0.17 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 2wk3 h GLN 203 CO -0.24 0.63 0.07 1.25 -2.65 0.00 0.00 178.83 177.89 2wk3 h LEU 204 N 0.00 1.02 -0.44 -2.39 5.85 -0.73 -1.44 115.31 117.17 2wk3 h LEU 204 Ca -0.01 -0.27 0.08 0.00 0.84 0.00 0.00 57.88 58.52 2wk3 h LEU 204 Cb 1.16 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.85 2wk3 h LEU 204 CO 0.08 1.04 0.03 -0.08 -0.34 0.00 0.00 178.44 179.17 2wk3 h GLU 205 N 0.96 0.15 -0.83 1.25 4.81 -1.36 -0.92 114.58 118.64 2wk3 h GLU 205 Ca 0.19 -0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.54 2wk3 h GLU 205 Cb 0.47 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.76 2wk3 h GLU 205 CO 0.02 0.10 0.54 0.87 -0.73 0.00 0.00 179.01 179.81 2wk3 h LYS 206 N 0.15 0.61 -0.00 1.92 1.57 -1.43 -2.47 116.57 116.92 2wk3 h LYS 206 Ca 0.22 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2wk3 h LYS 206 Cb 0.30 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2wk3 h LYS 206 CO -0.33 0.41 -0.26 0.00 -0.57 0.00 0.00 179.45 178.70 2wk3 n ALA 207 N -2.46 3.05 -0.15 3.86 0.00 -0.43 -3.51 120.51 120.87 2wk3 n ALA 207 Ca 0.16 -0.32 0.05 0.00 0.00 0.00 0.00 53.44 53.32 2wk3 n ALA 207 Cb 0.45 -1.22 0.14 0.00 0.00 0.00 0.00 19.45 18.82 2wk3 n ALA 207 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wk3 n THR 208 N -1.04 0.97 -3.07 0.00 -2.24 -0.70 -4.92 114.28 103.28 2wk3 n THR 208 Ca 0.11 -0.99 -0.05 0.00 -2.27 0.00 0.00 64.05 60.85 2wk3 n THR 208 Cb 0.32 0.52 0.02 0.00 -2.10 0.00 0.00 70.33 69.09 2wk3 n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wk3 n GLY 209 N 0.44 2.05 3.56 3.38 0.00 -1.18 -4.89 105.19 108.55 2wk3 n GLY 209 Ca 0.11 -2.16 -0.54 0.00 0.00 0.00 0.00 46.02 43.42 2wk3 n GLY 209 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wk3 n ASN 210 N -2.74 2.24 0.05 1.61 5.15 0.26 -4.80 115.26 117.03 2wk3 n ASN 210 Ca 0.04 0.76 0.09 0.00 -0.60 0.00 0.00 54.58 54.86 2wk3 n ASN 210 Cb 0.16 -1.19 0.39 0.00 -0.53 0.00 0.00 39.78 38.60 2wk3 n ASN 210 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2wk3 n PRO 211 N 6.86 0.08 0.06 1.20 -0.02 -1.26 -1.82 135.00 140.10 2wk3 n PRO 211 Ca 0.35 0.31 0.12 0.00 -2.02 0.00 0.00 63.50 62.26 2wk3 n PRO 211 Cb 0.17 -1.65 0.05 0.00 -0.02 0.00 0.00 33.50 32.05 2wk3 n PRO 211 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wk3 n LYS 212 N -1.80 0.41 -2.47 -0.52 4.01 -1.26 -4.88 118.16 111.65 2wk3 n LYS 212 Ca 0.03 0.06 -0.41 0.00 -0.51 0.00 0.00 58.31 57.48 2wk3 n LYS 212 Cb 0.20 -1.70 -0.04 0.00 -0.51 0.00 0.00 35.03 32.98 2wk3 n LYS 212 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 2wk3 s HIS 213 N -3.26 3.56 -1.25 2.13 5.04 -0.75 -4.93 115.29 115.83 2wk3 s HIS 213 Ca 0.03 1.61 0.09 0.00 -1.54 0.00 0.00 55.06 55.25 2wk3 s HIS 213 Cb 0.12 -3.31 0.44 0.00 0.04 0.00 0.00 32.58 29.88 2wk3 s HIS 213 CO 0.78 -0.69 1.23 -2.30 -2.34 0.00 0.00 174.74 171.42 2wk3 n PRO 214 N 1.90 0.08 0.23 2.88 -0.02 -1.26 -1.34 135.00 137.47 2wk3 n PRO 214 Ca 0.01 0.26 0.16 0.00 -2.02 0.00 0.00 63.50 61.91 2wk3 n PRO 214 Cb 0.45 -1.50 0.75 0.00 -0.02 0.00 0.00 33.50 33.18 2wk3 n PRO 214 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2wk3 h PHE 215 N 0.00 0.00 0.00 6.00 3.04 -1.91 -2.45 116.94 121.62 2wk3 h PHE 215 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2wk3 h PHE 215 Cb 0.12 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.63 2wk3 h PHE 215 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 178.31 175.16 2wk3 n SER 216 N -2.69 0.00 -4.78 0.41 3.41 -0.45 -4.67 113.62 104.85 2wk3 n SER 216 Ca -0.00 -0.19 -0.35 0.00 -0.26 0.00 0.00 58.87 58.07 2wk3 n SER 216 Cb 0.17 -0.27 -0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2wk3 n SER 216 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2wk3 s LYS 217 N -2.54 3.39 -0.35 4.33 1.02 -0.92 -4.73 119.74 119.93 2wk3 s LYS 217 Ca 0.30 1.55 -0.19 0.00 0.02 0.00 0.00 55.97 57.64 2wk3 s LYS 217 Cb 0.20 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 2wk3 s LYS 217 CO 0.45 -0.81 0.57 0.12 -0.92 0.00 0.00 175.35 174.77 2wk3 s PHE 218 N -1.86 3.16 -0.15 3.18 5.36 -1.26 -4.95 117.98 121.46 2wk3 s PHE 218 Ca 0.71 0.25 0.18 0.00 -0.96 0.00 0.00 56.93 57.12 2wk3 s PHE 218 Cb -0.22 -3.03 -0.11 0.00 -0.34 0.00 0.00 43.02 39.32 2wk3 s PHE 218 CO 0.27 -0.59 0.87 0.41 -1.46 0.00 0.00 175.22 174.72 2wk3 n GLY 219 N 4.74 -1.26 0.22 13.12 0.00 -1.26 -3.48 105.19 117.27 2wk3 n GLY 219 Ca -0.03 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 2wk3 n GLY 219 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2wk3 h THR 220 N 0.00 1.29 -1.08 2.61 2.02 -1.92 -3.36 112.91 112.46 2wk3 h THR 220 Ca -0.13 -1.94 0.12 0.00 0.77 0.00 0.00 66.41 65.23 2wk3 h THR 220 Cb 1.45 1.92 -0.05 0.00 -1.74 0.00 0.00 68.15 69.73 2wk3 h THR 220 CO 0.04 0.61 -0.31 0.61 0.37 0.00 0.00 175.52 176.84 2wk3 n GLY 221 N 0.61 -2.29 3.86 2.16 0.00 -1.26 -4.72 105.19 103.55 2wk3 n GLY 221 Ca -0.06 -1.36 -0.03 0.00 0.00 0.00 0.00 46.02 44.56 2wk3 n GLY 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wk3 s ASN 222 N -5.60 -0.02 0.28 1.61 2.20 -1.26 -4.63 114.94 107.53 2wk3 s ASN 222 Ca 0.00 -0.62 -0.01 0.00 -0.94 0.00 0.00 52.86 51.30 2wk3 s ASN 222 Cb 0.00 0.48 0.48 0.00 -2.00 0.00 0.00 41.25 40.21 2wk3 s ASN 222 CO 0.00 -0.94 1.89 0.50 -2.94 0.00 0.00 177.10 175.61 2wk3 h LYS 223 N 2.00 1.07 -0.38 3.55 3.64 -1.90 -0.56 116.57 123.99 2wk3 h LYS 223 Ca -0.27 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2wk3 h LYS 223 Cb 1.22 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 2wk3 h LYS 223 CO 0.34 0.71 0.25 -0.92 -2.27 0.00 0.00 179.45 177.55 2wk3 h TYR 224 N 1.10 0.49 0.00 1.91 3.20 -1.97 -0.86 116.97 120.83 2wk3 h TYR 224 Ca 0.42 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.29 2wk3 h TYR 224 Cb 0.20 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.31 2wk3 h TYR 224 CO -0.00 0.32 -0.60 1.79 -1.64 0.00 0.00 178.16 178.03 2wk3 h THR 225 N 0.51 0.00 0.00 1.81 1.35 -1.47 0.29 112.91 115.40 2wk3 h THR 225 Ca 0.14 -0.90 -0.27 0.00 -0.55 0.00 0.00 66.41 64.83 2wk3 h THR 225 Cb -0.04 1.59 -0.05 0.00 -1.73 0.00 0.00 68.15 67.92 2wk3 h THR 225 CO -0.03 0.00 -2.17 0.18 -0.25 0.00 0.00 175.52 173.25 2wk3 n LEU 226 N -2.71 0.00 0.04 3.87 4.32 -0.41 -4.45 117.00 117.66 2wk3 n LEU 226 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 2wk3 n LEU 226 Cb 0.52 0.36 0.00 0.00 -1.62 0.00 0.00 43.42 42.69 2wk3 n LEU 226 CO 0.37 0.36 -0.15 1.21 -1.22 0.00 0.00 177.39 177.96 2wk3 n GLU 227 N -2.58 0.00 0.04 3.23 2.13 -0.55 -4.73 120.64 118.17 2wk3 n GLU 227 Ca -0.25 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.45 2wk3 n GLU 227 Cb 0.98 -0.27 -0.09 0.00 0.27 0.00 0.00 31.44 32.33 2wk3 n GLU 227 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2wk3 h THR 228 N 0.00 1.14 -0.24 6.31 2.02 -1.04 -1.57 112.91 119.52 2wk3 h THR 228 Ca 0.00 -0.80 -0.14 0.00 0.77 0.00 0.00 66.41 66.24 2wk3 h THR 228 Cb 0.31 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 2wk3 h THR 228 CO 0.00 0.20 -0.44 -0.09 0.37 0.00 0.00 175.52 175.56 2wk3 h ARG 229 N -0.46 0.61 -0.57 6.66 9.65 -0.67 -2.72 114.38 126.88 2wk3 h ARG 229 Ca -0.01 -0.33 -0.09 0.00 -1.10 0.00 0.00 59.98 58.45 2wk3 h ARG 229 Cb 0.40 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.98 2wk3 h ARG 229 CO 0.02 0.93 0.01 -1.35 2.80 0.00 0.00 179.97 182.38 2wk3 h PRO 230 N 0.50 0.99 -0.60 0.20 0.11 -1.73 -1.73 132.00 129.73 2wk3 h PRO 230 Ca 0.03 -0.31 0.09 0.00 0.11 0.00 0.00 66.00 65.93 2wk3 h PRO 230 Cb 0.97 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 31.91 2wk3 h PRO 230 CO 0.09 0.98 0.22 -0.91 -0.21 0.00 0.00 178.00 178.17 2wk3 h ASN 231 N 0.88 0.20 -0.06 -2.05 2.35 -1.26 0.14 115.58 115.78 2wk3 h ASN 231 Ca 0.16 0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.93 2wk3 h ASN 231 Cb 0.53 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 2wk3 h ASN 231 CO 0.03 0.12 -0.13 -0.61 -1.65 0.00 0.00 177.43 175.19 2wk3 h GLN 232 N 0.39 0.37 -0.01 0.81 4.15 -1.24 -2.26 115.11 117.33 2wk3 h GLN 232 Ca 0.31 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.63 2wk3 h GLN 232 Cb 0.38 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.03 2wk3 h GLN 232 CO -0.31 0.50 -0.03 0.39 -1.93 0.00 0.00 178.83 177.46 2wk3 n GLU 233 N -4.23 1.16 -1.29 1.69 1.02 -0.67 -4.94 120.64 113.38 2wk3 n GLU 233 Ca 0.00 -0.39 -0.06 0.00 -0.02 0.00 0.00 57.16 56.69 2wk3 n GLU 233 Cb 0.30 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.21 2wk3 n GLU 233 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wk3 n GLY 234 N 1.13 0.72 3.79 0.62 0.00 -0.55 -5.03 105.19 105.87 2wk3 n GLY 234 Ca 0.20 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 2wk3 n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wk3 s ILE 235 N -2.22 4.95 -0.50 -0.61 1.01 0.37 -5.02 121.20 119.19 2wk3 s ILE 235 Ca 0.00 1.06 -0.17 0.00 0.00 0.00 0.00 60.65 61.54 2wk3 s ILE 235 Cb 0.00 -3.83 0.07 0.00 0.01 0.00 0.00 42.46 38.71 2wk3 s ILE 235 CO 0.00 0.48 0.52 -0.62 0.00 0.00 0.00 174.94 175.33 2wk3 s ASP 236 N -0.54 6.19 0.15 3.58 -1.08 -1.26 -4.43 116.67 119.27 2wk3 s ASP 236 Ca 0.27 -1.16 -0.10 0.00 -0.52 0.00 0.00 52.55 51.04 2wk3 s ASP 236 Cb -0.17 -2.24 -0.03 0.00 -1.46 0.00 0.00 42.92 39.02 2wk3 s ASP 236 CO 0.15 -0.80 1.46 0.58 0.52 0.00 0.00 175.17 177.09 2wk3 h VAL 237 N 5.82 1.28 -0.69 1.11 2.07 -1.95 -1.10 116.25 122.79 2wk3 h VAL 237 Ca -0.28 -1.64 0.13 0.00 0.82 0.00 0.00 66.70 65.73 2wk3 h VAL 237 Cb 1.10 1.51 -0.13 0.00 -1.52 0.00 0.00 31.29 32.25 2wk3 h VAL 237 CO 0.94 0.54 -0.28 -0.09 0.02 0.00 0.00 177.57 178.69 2wk3 h ARG 238 N 0.69 -0.08 -0.69 1.57 2.43 -1.93 0.18 114.38 116.54 2wk3 h ARG 238 Ca 0.04 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 2wk3 h ARG 238 Cb 1.05 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.57 2wk3 h ARG 238 CO 0.10 -0.06 0.41 1.96 -1.51 0.00 0.00 179.97 180.88 2wk3 h GLN 239 N -0.09 0.75 -0.23 0.20 4.20 -1.66 -1.77 115.11 116.51 2wk3 h GLN 239 Ca 0.29 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.88 2wk3 h GLN 239 Cb 0.55 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2wk3 h GLN 239 CO -0.74 0.50 -0.20 0.93 -0.67 0.00 0.00 178.83 178.65 2wk3 h GLU 240 N 0.78 0.41 -0.42 1.46 4.39 -0.32 0.61 114.58 121.49 2wk3 h GLU 240 Ca 0.30 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 2wk3 h GLU 240 Cb 0.12 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2wk3 h GLU 240 CO -0.15 0.60 0.11 -0.07 -1.16 0.00 0.00 179.01 178.33 2wk3 h LEU 241 N 0.38 0.63 -0.37 1.33 3.38 -0.05 -1.59 115.31 119.01 2wk3 h LEU 241 Ca 0.06 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 2wk3 h LEU 241 Cb 0.56 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2wk3 h LEU 241 CO 0.04 0.69 -0.13 -0.07 0.09 0.00 0.00 178.44 179.06 2wk3 h LEU 242 N 0.54 0.76 -1.08 1.67 3.38 -0.19 0.33 115.31 120.72 2wk3 h LEU 242 Ca 0.13 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2wk3 h LEU 242 Cb 0.31 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2wk3 h LEU 242 CO 0.00 0.97 0.48 0.50 0.09 0.00 0.00 178.44 180.48 2wk3 h LYS 243 N 0.55 1.12 -0.14 1.13 3.64 0.17 0.44 116.57 123.47 2wk3 h LYS 243 Ca 0.09 -0.11 -0.15 0.00 -1.27 0.00 0.00 60.65 59.21 2wk3 h LYS 243 Cb 0.66 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2wk3 h LYS 243 CO 0.04 0.79 -0.51 0.35 -2.27 0.00 0.00 179.45 177.85 2wk3 h PHE 244 N 1.13 0.79 -0.40 1.91 3.57 -0.89 0.15 116.94 123.20 2wk3 h PHE 244 Ca 0.29 -0.33 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2wk3 h PHE 244 Cb -0.03 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 2wk3 h PHE 244 CO 0.01 1.11 0.20 1.25 -2.23 0.00 0.00 178.31 178.64 2wk3 h HIS 245 N 0.24 0.57 -0.50 0.41 2.76 -0.04 -1.16 115.15 117.44 2wk3 h HIS 245 Ca -0.02 -0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.05 2wk3 h HIS 245 Cb 1.14 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.90 2wk3 h HIS 245 CO 0.10 0.47 0.03 1.03 -1.30 0.00 0.00 177.93 178.26 2wk3 h SER 246 N 0.51 0.77 1.02 3.26 0.87 -0.00 0.14 113.55 120.11 2wk3 h SER 246 Ca 0.14 -0.17 -0.13 0.00 -1.23 0.00 0.00 61.79 60.40 2wk3 h SER 246 Cb 0.11 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 2wk3 h SER 246 CO -0.02 0.82 -0.61 0.00 -0.53 0.00 0.00 176.83 176.49 2wk3 h ALA 247 N 1.27 0.74 0.00 6.23 0.00 -0.42 -3.41 119.26 123.68 2wk3 h ALA 247 Ca 0.15 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2wk3 h ALA 247 Cb 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2wk3 h ALA 247 CO 0.01 0.76 -0.77 0.66 0.00 0.00 0.00 179.25 179.92 2wk3 n TYR 248 N -3.45 0.00 -2.02 0.00 4.02 -0.46 -4.75 117.16 110.50 2wk3 n TYR 248 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 2wk3 n TYR 248 Cb 0.70 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.02 2wk3 n TYR 248 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2wk3 n TYR 249 N -1.32 3.47 -4.22 -0.72 0.53 0.46 -4.89 117.16 110.46 2wk3 n TYR 249 Ca 0.00 -2.92 -0.31 0.00 -1.02 0.00 0.00 57.90 53.65 2wk3 n TYR 249 Cb 0.13 -2.36 -0.09 0.00 -1.03 0.00 0.00 39.34 36.00 2wk3 n TYR 249 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 2wk3 s SER 250 N 2.52 4.95 0.56 7.72 0.15 -1.26 -4.85 113.70 123.48 2wk3 s SER 250 Ca 0.45 -0.14 0.28 0.00 0.70 0.00 0.00 55.95 57.23 2wk3 s SER 250 Cb 0.11 -1.19 1.65 0.00 -1.71 0.00 0.00 66.02 64.89 2wk3 s SER 250 CO -0.05 0.22 2.18 0.77 1.20 0.00 0.00 173.24 177.56 2wk3 h SER 251 N 3.83 0.00 0.46 5.45 4.64 -1.47 -0.71 113.55 125.74 2wk3 h SER 251 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2wk3 h SER 251 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2wk3 h SER 251 CO 0.58 0.05 0.00 -0.46 -0.87 0.00 0.00 176.83 176.12 2wk3 n ASN 252 N -3.82 0.00 -0.59 4.97 6.94 -1.24 -2.11 115.26 119.41 2wk3 n ASN 252 Ca -0.03 -0.27 0.08 0.00 -0.02 0.00 0.00 54.58 54.35 2wk3 n ASN 252 Cb 0.14 -0.24 0.19 0.00 -2.36 0.00 0.00 39.78 37.51 2wk3 n ASN 252 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2wk3 n LEU 253 N -1.24 3.20 -4.42 -4.53 4.77 -0.28 -4.92 117.00 109.59 2wk3 n LEU 253 Ca 0.15 -2.76 -0.31 0.00 -0.03 0.00 0.00 56.01 53.07 2wk3 n LEU 253 Cb 0.21 -0.41 -0.13 0.00 -2.33 0.00 0.00 43.42 40.75 2wk3 n LEU 253 CO 0.21 0.68 -0.51 -0.04 -1.33 0.00 0.00 177.39 176.40 2wk3 s MET 254 N -2.34 2.09 0.08 3.23 -1.94 -0.90 -0.87 119.30 118.66 2wk3 s MET 254 Ca 0.33 -0.95 0.09 0.00 -1.71 0.00 0.00 55.69 53.44 2wk3 s MET 254 Cb 0.26 -2.16 -0.03 0.00 2.01 0.00 0.00 34.83 34.90 2wk3 s MET 254 CO 0.08 0.55 -0.23 0.00 -0.01 0.00 0.00 175.02 175.41 2wk3 s ALA 255 N -0.84 2.01 0.04 3.03 0.00 -0.36 -2.41 121.76 123.24 2wk3 s ALA 255 Ca 0.13 -1.24 0.05 0.00 0.00 0.00 0.00 51.96 50.90 2wk3 s ALA 255 Cb -0.10 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 2wk3 s ALA 255 CO 0.03 0.45 -0.14 0.08 0.00 0.00 0.00 175.76 176.18 2wk3 s VAL 256 N -0.94 1.13 -0.02 0.00 1.01 0.14 -1.11 120.40 120.61 2wk3 s VAL 256 Ca 0.10 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.03 2wk3 s VAL 256 Cb -0.10 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.26 2wk3 s VAL 256 CO 0.03 -0.02 -0.01 -0.69 0.00 0.00 0.00 175.10 174.41 2wk3 s VAL 257 N -0.91 0.22 -0.05 2.92 1.01 -0.57 -1.23 120.40 121.78 2wk3 s VAL 257 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2wk3 s VAL 257 Cb -0.08 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.06 2wk3 s VAL 257 CO 0.01 0.12 -0.03 -0.69 0.00 0.00 0.00 175.10 174.51 2wk3 s VAL 258 N 0.59 0.47 -0.12 2.92 1.01 -0.51 -1.07 120.40 123.69 2wk3 s VAL 258 Ca -0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.86 2wk3 s VAL 258 Cb -0.09 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.79 2wk3 s VAL 258 CO -0.01 0.22 -0.08 -0.22 0.00 0.00 0.00 175.10 175.01 2wk3 s LEU 259 N 1.14 1.25 0.00 3.92 0.20 0.18 -0.23 118.68 125.13 2wk3 s LEU 259 Ca -0.08 -0.33 0.00 0.00 0.69 0.00 0.00 54.13 54.41 2wk3 s LEU 259 Cb -0.14 -0.88 0.00 0.00 -0.43 0.00 0.00 46.19 44.74 2wk3 s LEU 259 CO -0.01 -0.11 0.00 0.61 -0.29 0.00 0.00 176.35 176.54 2wk3 n GLY 260 N 4.92 2.98 0.11 7.98 0.00 -0.75 -0.91 105.19 119.52 2wk3 n GLY 260 Ca -0.13 -1.26 -0.08 0.00 0.00 0.00 0.00 46.02 44.55 2wk3 n GLY 260 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wk3 h ARG 261 N 0.00 0.15 -6.70 1.61 3.08 -1.86 -0.40 114.38 110.26 2wk3 h ARG 261 Ca 0.00 -0.18 -0.56 0.00 0.07 0.00 0.00 59.98 59.31 2wk3 h ARG 261 Cb 0.00 0.05 0.18 0.00 0.08 0.00 0.00 29.97 30.28 2wk3 h ARG 261 CO 0.00 0.96 -0.25 0.39 -1.07 0.00 0.00 179.97 180.00 2wk3 n GLU 262 N -3.59 0.43 -0.83 0.04 4.71 -1.26 -4.22 120.64 115.91 2wk3 n GLU 262 Ca -0.03 0.19 -0.30 0.00 -0.01 0.00 0.00 57.16 57.01 2wk3 n GLU 262 Cb 0.84 -1.91 0.17 0.00 -1.01 0.00 0.00 31.44 29.53 2wk3 n GLU 262 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2wk3 s SER 263 N -1.43 2.74 0.20 1.62 1.04 -1.26 -4.66 113.70 111.95 2wk3 s SER 263 Ca 0.69 1.84 -0.11 0.00 0.48 0.00 0.00 55.95 58.84 2wk3 s SER 263 Cb -0.37 -2.42 0.25 0.00 0.10 0.00 0.00 66.02 63.59 2wk3 s SER 263 CO 0.55 -3.16 1.71 -0.07 0.98 0.00 0.00 173.24 173.25 2wk3 h LEU 264 N -1.91 -0.00 -0.87 2.42 3.38 -1.94 -1.49 115.31 114.90 2wk3 h LEU 264 Ca -0.49 0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.61 2wk3 h LEU 264 Cb 1.28 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 42.13 2wk3 h LEU 264 CO 0.48 0.02 0.56 0.44 0.09 0.00 0.00 178.44 180.02 2wk3 h ASP 265 N 0.25 0.94 -0.32 -0.43 3.32 -1.98 0.11 116.42 118.30 2wk3 h ASP 265 Ca 0.29 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.20 2wk3 h ASP 265 Cb 0.42 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2wk3 h ASP 265 CO -0.38 0.65 -0.28 0.44 -1.72 0.00 0.00 179.24 177.95 2wk3 h ASP 266 N 1.10 0.86 0.22 6.45 3.32 -1.75 -1.33 116.42 125.28 2wk3 h ASP 266 Ca 0.34 -0.34 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 2wk3 h ASP 266 Cb -0.01 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 2wk3 h ASP 266 CO -0.11 1.09 -0.46 -0.07 -1.72 0.00 0.00 179.24 177.96 2wk3 h LEU 267 N 0.71 0.32 -0.28 1.55 3.38 -0.71 -1.02 115.31 119.25 2wk3 h LEU 267 Ca 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2wk3 h LEU 267 Cb 0.82 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2wk3 h LEU 267 CO 0.07 0.74 0.14 0.74 0.09 0.00 0.00 178.44 180.23 2wk3 h THR 268 N 0.24 1.14 -0.16 0.22 2.02 -0.48 -0.85 112.91 115.04 2wk3 h THR 268 Ca 0.02 -0.39 0.01 0.00 0.77 0.00 0.00 66.41 66.81 2wk3 h THR 268 Cb 0.91 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 2wk3 h THR 268 CO 0.08 0.14 0.08 0.78 0.37 0.00 0.00 175.52 176.97 2wk3 h ASN 269 N 0.33 0.13 -0.59 4.18 2.35 -0.72 -2.45 115.58 118.81 2wk3 h ASN 269 Ca 0.10 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.97 2wk3 h ASN 269 Cb 0.10 -0.02 -0.10 0.00 0.05 0.00 0.00 38.32 38.35 2wk3 h ASN 269 CO -0.01 0.10 0.01 0.25 -1.65 0.00 0.00 177.43 176.13 2wk3 h LEU 270 N 0.18 -0.23 0.02 1.61 6.46 -0.92 0.18 115.31 122.60 2wk3 h LEU 270 Ca 0.06 0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.96 2wk3 h LEU 270 Cb 0.01 0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.18 2wk3 h LEU 270 CO -0.04 -0.09 -0.01 0.58 -0.62 0.00 0.00 178.44 178.26 2wk3 h VAL 271 N 0.13 1.21 -0.50 1.05 2.07 -0.90 -1.31 116.25 117.99 2wk3 h VAL 271 Ca 0.31 -0.71 0.07 0.00 0.82 0.00 0.00 66.70 67.19 2wk3 h VAL 271 Cb 0.49 1.68 -0.06 0.00 -1.52 0.00 0.00 31.29 31.88 2wk3 h VAL 271 CO -0.49 0.18 0.17 0.58 0.02 0.00 0.00 177.57 178.03 2wk3 h VAL 272 N -0.34 0.82 -0.07 2.57 2.07 -1.33 0.56 116.25 120.53 2wk3 h VAL 272 Ca -0.00 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.44 2wk3 h VAL 272 Cb 0.32 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 2wk3 h VAL 272 CO 0.00 0.06 -0.23 0.50 0.02 0.00 0.00 177.57 177.93 2wk3 h LYS 273 N 0.35 -0.31 0.00 1.57 3.64 -0.35 -3.02 116.57 118.45 2wk3 h LYS 273 Ca 0.24 0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.48 2wk3 h LYS 273 Cb 0.27 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2wk3 h LYS 273 CO -0.25 -0.21 -1.16 -0.07 -2.27 0.00 0.00 179.45 175.49 2wk3 h LEU 274 N -0.32 0.00 -0.12 5.20 3.38 -0.04 -3.40 115.31 120.01 2wk3 h LEU 274 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2wk3 h LEU 274 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2wk3 h LEU 274 CO -0.26 0.64 -0.36 0.49 0.09 0.00 0.00 178.44 179.04 2wk3 n PHE 275 N -3.04 0.00 0.50 1.13 3.01 0.19 -4.46 117.46 114.78 2wk3 n PHE 275 Ca -0.06 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.52 2wk3 n PHE 275 Cb 0.84 0.00 0.46 0.00 -0.01 0.00 0.00 39.48 40.77 2wk3 n PHE 275 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2wk3 n SER 276 N -1.05 0.75 0.14 4.37 3.41 -1.14 -1.91 113.62 118.20 2wk3 n SER 276 Ca 0.02 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 2wk3 n SER 276 Cb 0.14 -0.81 0.53 0.00 -0.26 0.00 0.00 64.21 63.81 2wk3 n SER 276 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wk3 n GLU 277 N -2.27 0.18 -2.17 4.33 -0.58 -1.26 -4.79 120.64 114.08 2wk3 n GLU 277 Ca 0.04 0.49 -0.42 0.00 -0.42 0.00 0.00 57.16 56.85 2wk3 n GLU 277 Cb 0.32 -1.91 -0.03 0.00 -0.57 0.00 0.00 31.44 29.26 2wk3 n GLU 277 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2wk3 s VAL 278 N -3.39 3.53 0.33 2.62 1.01 -0.80 -4.96 120.40 118.73 2wk3 s VAL 278 Ca 0.02 0.98 -0.28 0.00 0.00 0.00 0.00 61.98 62.70 2wk3 s VAL 278 Cb 0.08 -3.63 -0.10 0.00 0.00 0.00 0.00 36.38 32.73 2wk3 s VAL 278 CO 0.34 0.02 1.28 -0.70 0.00 0.00 0.00 175.10 176.03 2wk3 s GLU 279 N 2.12 4.35 -0.26 2.72 2.12 -1.26 -4.67 118.70 123.82 2wk3 s GLU 279 Ca 0.65 2.16 -0.10 0.00 0.36 0.00 0.00 54.97 58.04 2wk3 s GLU 279 Cb -0.34 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 30.95 2wk3 s GLU 279 CO 0.28 -0.17 0.16 1.21 -0.54 0.00 0.00 175.26 176.21 2wk3 s ASN 280 N -0.56 5.92 0.00 -1.70 3.84 -1.26 -1.34 114.94 119.84 2wk3 s ASN 280 Ca 0.49 -0.00 0.07 0.00 0.21 0.00 0.00 52.86 53.63 2wk3 s ASN 280 Cb -0.39 -2.09 0.11 0.00 -0.55 0.00 0.00 41.25 38.34 2wk3 s ASN 280 CO 0.51 -0.01 0.89 1.17 -2.79 0.00 0.00 177.10 176.87 2wk3 n LYS 281 N 4.81 1.10 -3.68 0.43 3.00 -1.26 -4.96 118.16 117.61 2wk3 n LYS 281 Ca -0.15 -1.27 -0.23 0.00 -0.00 0.00 0.00 58.31 56.66 2wk3 n LYS 281 Cb 0.52 -1.15 0.05 0.00 0.00 0.00 0.00 35.03 34.45 2wk3 n LYS 281 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2wk3 n ASN 282 N 0.30 -3.06 -4.73 3.14 3.02 -1.26 -4.90 115.26 107.77 2wk3 n ASN 282 Ca 0.05 -0.72 -0.42 0.00 -0.03 0.00 0.00 54.58 53.47 2wk3 n ASN 282 Cb 0.25 -4.41 -0.03 0.00 -0.61 0.00 0.00 39.78 34.98 2wk3 n ASN 282 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wk3 s VAL 283 N -3.46 3.86 0.31 2.41 1.01 -1.26 -5.00 120.40 118.28 2wk3 s VAL 283 Ca 0.25 1.45 -0.28 0.00 0.00 0.00 0.00 61.98 63.40 2wk3 s VAL 283 Cb -0.12 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 2wk3 s VAL 283 CO 0.79 0.18 1.08 -2.16 0.00 0.00 0.00 175.10 174.99 2wk3 s PRO 284 N 0.39 4.52 0.08 2.72 0.04 -1.26 -4.90 135.00 136.58 2wk3 s PRO 284 Ca 0.55 1.73 -0.31 0.00 0.04 0.00 0.00 61.00 63.01 2wk3 s PRO 284 Cb -0.30 -3.02 -0.07 0.00 0.04 0.00 0.00 34.50 31.14 2wk3 s PRO 284 CO 0.33 0.12 1.39 -1.17 0.04 0.00 0.00 177.00 177.70 2wk3 s LEU 285 N -1.75 4.36 0.39 -3.56 0.20 -1.26 -4.94 118.68 112.11 2wk3 s LEU 285 Ca 0.48 2.25 -0.27 0.00 0.69 0.00 0.00 54.13 57.28 2wk3 s LEU 285 Cb -0.29 -3.58 -0.10 0.00 -0.43 0.00 0.00 46.19 41.79 2wk3 s LEU 285 CO 0.38 -0.66 1.44 -2.84 -0.29 0.00 0.00 176.35 174.37 2wk3 s PRO 286 N 1.48 4.03 0.11 0.98 0.02 -1.26 -5.01 135.00 135.35 2wk3 s PRO 286 Ca 0.64 2.47 0.07 0.00 0.02 0.00 0.00 61.00 64.20 2wk3 s PRO 286 Cb -0.35 -2.89 -0.04 0.00 0.02 0.00 0.00 34.50 31.24 2wk3 s PRO 286 CO 0.29 -0.56 -0.16 -1.21 -0.33 0.00 0.00 177.00 175.03 2wk3 s GLU 287 N -2.15 1.02 -0.43 5.54 2.02 -1.26 -4.84 118.70 118.60 2wk3 s GLU 287 Ca 0.54 -1.16 0.08 0.00 0.02 0.00 0.00 54.97 54.45 2wk3 s GLU 287 Cb -0.45 -1.05 0.27 0.00 0.10 0.00 0.00 34.13 33.01 2wk3 s GLU 287 CO 0.60 0.22 0.60 1.19 0.02 0.00 0.00 175.26 177.89 2wk3 n PHE 288 N 0.84 0.40 0.26 1.61 3.72 0.19 -4.98 117.46 119.51 2wk3 n PHE 288 Ca -0.18 -3.70 0.15 0.00 -0.05 0.00 0.00 57.45 53.67 2wk3 n PHE 288 Cb 0.55 -0.39 0.68 0.00 -0.94 0.00 0.00 39.48 39.38 2wk3 n PHE 288 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wk3 h PRO 289 N 3.82 0.00 -6.04 -1.08 0.13 -1.82 -3.36 132.00 123.66 2wk3 h PRO 289 Ca 0.09 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.65 2wk3 h PRO 289 Cb 0.85 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.92 2wk3 h PRO 289 CO 0.53 0.10 0.49 -2.00 -0.23 0.00 0.00 178.00 176.89 2wk3 s GLU 290 N -3.83 4.32 0.15 0.86 2.12 -1.26 -4.83 118.70 116.22 2wk3 s GLU 290 Ca -0.01 1.15 -0.31 0.00 0.36 0.00 0.00 54.97 56.17 2wk3 s GLU 290 Cb 0.11 -3.58 -0.09 0.00 0.26 0.00 0.00 34.13 30.83 2wk3 s GLU 290 CO 0.57 -0.37 1.42 -1.58 -0.54 0.00 0.00 175.26 174.76 2wk3 s HIS 291 N 2.28 3.19 0.66 5.30 5.65 -1.26 -4.88 115.29 126.22 2wk3 s HIS 291 Ca 0.41 0.92 0.38 0.00 0.25 0.00 0.00 55.06 57.03 2wk3 s HIS 291 Cb -0.17 -3.74 2.09 0.00 -1.18 0.00 0.00 32.58 29.58 2wk3 s HIS 291 CO 0.13 -2.57 2.19 -1.00 -0.65 0.00 0.00 174.74 172.83 2wk3 h PRO 292 N 6.47 0.00 -4.52 2.88 0.13 -1.94 -3.34 132.00 131.68 2wk3 h PRO 292 Ca -0.43 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.99 2wk3 h PRO 292 Cb 1.21 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 2wk3 h PRO 292 CO 0.86 0.00 -0.47 -0.06 -0.23 0.00 0.00 178.00 178.10 2wk3 s PHE 293 N -4.16 3.26 0.38 1.56 0.08 -1.26 -0.57 117.98 117.26 2wk3 s PHE 293 Ca -0.04 -0.97 0.04 0.00 0.12 0.00 0.00 56.93 56.07 2wk3 s PHE 293 Cb 0.11 -2.62 0.07 0.00 -0.57 0.00 0.00 43.02 40.01 2wk3 s PHE 293 CO 0.36 -0.68 0.52 1.04 -0.10 0.00 0.00 175.22 176.36 2wk3 n GLN 294 N 5.04 0.55 -0.30 0.44 1.13 -1.25 -4.93 117.38 118.05 2wk3 n GLN 294 Ca -0.11 -1.77 0.06 0.00 -1.94 0.00 0.00 57.00 53.24 2wk3 n GLN 294 Cb 0.45 -0.24 0.16 0.00 0.11 0.00 0.00 30.24 30.72 2wk3 n GLN 294 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 2wk3 h GLU 295 N 0.00 0.03 0.00 -1.09 4.57 -1.96 0.12 114.58 116.24 2wk3 h GLU 295 Ca -0.17 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 2wk3 h GLU 295 Cb 0.74 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 2wk3 h GLU 295 CO 0.22 0.02 0.00 -0.85 -1.18 0.00 0.00 179.01 177.22 2wk3 n GLU 296 N -5.49 0.14 -0.36 1.92 0.00 -1.26 -2.24 120.64 113.34 2wk3 n GLU 296 Ca 0.15 0.42 0.12 0.00 0.00 0.00 0.00 57.16 57.84 2wk3 n GLU 296 Cb 0.51 -1.79 0.31 0.00 0.00 0.00 0.00 31.44 30.47 2wk3 n GLU 296 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2wk3 n HIS 297 N -2.05 0.95 -4.18 -1.84 8.25 0.40 -4.95 115.22 111.79 2wk3 n HIS 297 Ca 0.02 -0.49 -0.23 0.00 -0.26 0.00 0.00 57.72 56.75 2wk3 n HIS 297 Cb 0.18 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.23 2wk3 n HIS 297 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2wk3 s LEU 298 N -1.01 3.28 -1.49 2.41 1.43 -0.95 -4.56 118.68 117.79 2wk3 s LEU 298 Ca 0.48 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.79 2wk3 s LEU 298 Cb 0.25 -1.78 0.07 0.00 0.03 0.00 0.00 46.19 44.76 2wk3 s LEU 298 CO 0.33 -0.16 0.88 0.29 0.23 0.00 0.00 176.35 177.92 2wk3 n LYS 299 N -1.05 -5.13 -4.21 1.70 5.02 0.28 -4.94 118.16 109.83 2wk3 n LYS 299 Ca -0.05 0.58 -0.29 0.00 -2.02 0.00 0.00 58.31 56.53 2wk3 n LYS 299 Cb 0.60 -5.35 -0.09 0.00 -0.02 0.00 0.00 35.03 30.17 2wk3 n LYS 299 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2wk3 s GLN 300 N -6.51 2.22 -0.07 1.97 -1.52 -1.22 -1.00 119.66 113.54 2wk3 s GLN 300 Ca 0.49 -1.03 0.04 0.00 -1.95 0.00 0.00 55.36 52.91 2wk3 s GLN 300 Cb -0.25 -2.34 0.00 0.00 -0.22 0.00 0.00 33.01 30.21 2wk3 s GLN 300 CO 0.84 0.50 -0.19 -1.17 -0.25 0.00 0.00 175.29 175.01 2wk3 s LEU 301 N -2.39 1.93 -0.12 2.90 2.96 0.74 -0.29 118.68 124.41 2wk3 s LEU 301 Ca 0.23 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 2wk3 s LEU 301 Cb -0.11 -1.13 0.01 0.00 0.50 0.00 0.00 46.19 45.46 2wk3 s LEU 301 CO 0.15 0.14 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.80 2wk3 s TYR 302 N 0.24 2.44 -0.13 5.38 1.51 0.80 -0.22 117.35 127.37 2wk3 s TYR 302 Ca -0.11 -1.12 0.01 0.00 -1.01 0.00 0.00 57.07 54.84 2wk3 s TYR 302 Cb -0.15 -1.67 -0.01 0.00 -0.11 0.00 0.00 41.96 40.03 2wk3 s TYR 302 CO 0.05 -0.50 -0.16 0.15 -1.11 0.00 0.00 175.55 173.98 2wk3 s LYS 303 N 0.66 3.28 0.03 -0.62 1.02 -0.21 -0.95 119.74 122.94 2wk3 s LYS 303 Ca -0.12 -0.74 0.04 0.00 0.02 0.00 0.00 55.97 55.17 2wk3 s LYS 303 Cb -0.16 -2.56 -0.02 0.00 -0.52 0.00 0.00 37.83 34.57 2wk3 s LYS 303 CO 0.03 0.16 -0.12 0.42 -0.92 0.00 0.00 175.35 174.91 2wk3 s ILE 304 N 0.45 0.97 -0.27 2.17 1.01 -0.25 -0.66 121.20 124.62 2wk3 s ILE 304 Ca -0.11 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.52 2wk3 s ILE 304 Cb -0.16 -0.89 -0.05 0.00 0.01 0.00 0.00 42.46 41.37 2wk3 s ILE 304 CO 0.05 -0.02 0.18 -0.69 0.00 0.00 0.00 174.94 174.47 2wk3 s VAL 305 N -0.81 5.32 0.72 2.92 1.01 -0.71 -1.88 120.40 126.96 2wk3 s VAL 305 Ca 0.00 0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 2wk3 s VAL 305 Cb -0.07 -3.52 0.10 0.00 0.00 0.00 0.00 36.38 32.88 2wk3 s VAL 305 CO 0.01 0.28 1.01 -2.16 0.00 0.00 0.00 175.10 174.24 2wk3 s PRO 306 N 1.54 1.88 -0.15 2.72 0.04 -1.26 -4.54 135.00 135.23 2wk3 s PRO 306 Ca 0.07 -0.61 -0.12 0.00 0.04 0.00 0.00 61.00 60.38 2wk3 s PRO 306 Cb -0.15 -2.22 -0.07 0.00 0.04 0.00 0.00 34.50 32.09 2wk3 s PRO 306 CO 0.09 -1.38 -0.03 0.82 0.04 0.00 0.00 177.00 176.54 2wk3 h ILE 307 N -0.62 0.28 -4.19 0.56 1.08 -1.97 -3.46 117.51 109.18 2wk3 h ILE 307 Ca -0.42 -1.32 -0.51 0.00 -0.39 0.00 0.00 64.86 62.22 2wk3 h ILE 307 Cb 1.29 0.64 0.17 0.00 -3.07 0.00 0.00 36.82 35.84 2wk3 h ILE 307 CO 0.50 0.09 0.25 -0.54 -0.69 0.00 0.00 178.15 177.76 2wk3 s LYS 308 N -2.19 1.39 -1.13 2.37 1.02 -1.26 -4.93 119.74 115.00 2wk3 s LYS 308 Ca -0.17 1.26 -0.20 0.00 0.02 0.00 0.00 55.97 56.89 2wk3 s LYS 308 Cb 0.03 -1.79 0.07 0.00 -0.52 0.00 0.00 37.83 35.62 2wk3 s LYS 308 CO 0.30 -2.28 1.53 0.34 -0.92 0.00 0.00 175.35 174.32 2wk3 s ASP 309 N -3.03 6.68 0.14 2.83 -1.08 -1.26 -4.83 116.67 116.12 2wk3 s ASP 309 Ca 0.64 -1.99 0.07 0.00 -0.52 0.00 0.00 52.55 50.75 2wk3 s ASP 309 Cb -0.20 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.67 2wk3 s ASP 309 CO 0.58 -1.29 -0.16 0.27 0.52 0.00 0.00 175.17 175.09 2wk3 s ILE 310 N 4.27 1.54 -0.11 4.11 -4.36 -1.26 -4.88 121.20 120.51 2wk3 s ILE 310 Ca 0.48 -1.79 -0.01 0.00 -0.26 0.00 0.00 60.65 59.07 2wk3 s ILE 310 Cb 0.01 -1.66 0.03 0.00 1.25 0.00 0.00 42.46 42.08 2wk3 s ILE 310 CO -0.02 -0.36 -0.06 -0.13 0.24 0.00 0.00 174.94 174.60 2wk3 s ARG 311 N -2.70 1.38 -0.03 0.37 0.52 -1.25 -3.92 118.95 113.33 2wk3 s ARG 311 Ca 0.12 -0.20 -0.09 0.00 -0.52 0.00 0.00 55.73 55.04 2wk3 s ARG 311 Cb -0.05 -1.49 0.01 0.00 0.52 0.00 0.00 34.95 33.94 2wk3 s ARG 311 CO 0.04 -0.27 0.19 -0.80 0.02 0.00 0.00 175.30 174.49 2wk3 s ASN 312 N 1.74 -0.09 -0.15 0.23 0.01 -0.52 -1.03 114.94 115.14 2wk3 s ASN 312 Ca 0.05 0.04 0.01 0.00 -0.71 0.00 0.00 52.86 52.25 2wk3 s ASN 312 Cb -0.13 0.30 0.00 0.00 0.41 0.00 0.00 41.25 41.84 2wk3 s ASN 312 CO -0.08 -0.29 -0.18 -0.22 -1.51 0.00 0.00 177.10 174.82 2wk3 s LEU 313 N -0.91 2.32 -0.19 0.60 2.96 -0.60 -0.38 118.68 122.49 2wk3 s LEU 313 Ca -0.10 -0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 53.26 2wk3 s LEU 313 Cb -0.05 -1.51 -0.00 0.00 0.50 0.00 0.00 46.19 45.12 2wk3 s LEU 313 CO 0.02 0.08 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.72 2wk3 s TYR 314 N 0.83 2.88 -0.10 5.38 2.02 0.14 -0.82 117.35 127.68 2wk3 s TYR 314 Ca -0.06 -1.02 0.03 0.00 -0.37 0.00 0.00 57.07 55.65 2wk3 s TYR 314 Cb -0.15 -2.00 -0.01 0.00 -0.40 0.00 0.00 41.96 39.40 2wk3 s TYR 314 CO -0.01 -0.52 -0.21 0.08 -1.57 0.00 0.00 175.55 173.31 2wk3 s VAL 315 N 1.16 2.31 -0.03 0.71 1.01 -0.11 -0.36 120.40 125.09 2wk3 s VAL 315 Ca 0.01 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2wk3 s VAL 315 Cb -0.14 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.35 2wk3 s VAL 315 CO -0.03 0.55 -0.04 -0.89 0.00 0.00 0.00 175.10 174.69 2wk3 s THR 316 N 0.24 0.41 -0.07 3.92 2.01 -0.67 -0.97 115.64 120.51 2wk3 s THR 316 Ca -0.14 -0.12 0.05 0.00 0.31 0.00 0.00 61.69 61.79 2wk3 s THR 316 Cb -0.17 -0.42 -0.01 0.00 0.01 0.00 0.00 72.50 71.92 2wk3 s THR 316 CO 0.07 0.17 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.58 2wk3 s PHE 317 N 0.53 2.51 0.32 4.92 0.40 0.77 -1.44 117.98 126.00 2wk3 s PHE 317 Ca -0.06 -0.75 -0.29 0.00 -0.60 0.00 0.00 56.93 55.22 2wk3 s PHE 317 Cb -0.10 -1.65 -0.10 0.00 0.51 0.00 0.00 43.02 41.68 2wk3 s PHE 317 CO -0.00 -0.24 1.37 -1.25 0.70 0.00 0.00 175.22 175.80 2wk3 s PRO 318 N -0.05 4.29 0.03 0.24 0.04 -1.26 -0.56 135.00 137.74 2wk3 s PRO 318 Ca -0.07 2.30 -0.02 0.00 0.04 0.00 0.00 61.00 63.26 2wk3 s PRO 318 Cb -0.15 -3.06 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 2wk3 s PRO 318 CO 0.05 -0.31 0.01 0.96 0.04 0.00 0.00 177.00 177.76 2wk3 s ILE 319 N -0.88 0.15 1.02 0.56 -4.36 -0.57 -4.84 121.20 112.29 2wk3 s ILE 319 Ca 0.52 -1.23 -0.12 0.00 -0.26 0.00 0.00 60.65 59.56 2wk3 s ILE 319 Cb -0.41 -0.84 0.17 0.00 1.25 0.00 0.00 42.46 42.63 2wk3 s ILE 319 CO 0.53 -0.68 0.90 -2.65 0.24 0.00 0.00 174.94 173.27 2wk3 n PRO 320 N 0.89 -1.14 -2.02 0.37 -0.02 -1.26 -1.84 135.00 129.97 2wk3 n PRO 320 Ca -0.19 -0.29 -0.42 0.00 -2.02 0.00 0.00 63.50 60.58 2wk3 n PRO 320 Cb 0.58 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 2wk3 n PRO 320 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2wk3 s ASP 321 N -2.40 6.67 0.00 2.55 3.68 -1.25 -4.05 116.67 121.88 2wk3 s ASP 321 Ca 0.65 2.49 0.15 0.00 2.13 0.00 0.00 52.55 57.97 2wk3 s ASP 321 Cb -0.23 -2.59 0.02 0.00 -1.45 0.00 0.00 42.92 38.67 2wk3 s ASP 321 CO 0.62 -0.77 0.82 0.18 0.13 0.00 0.00 175.17 176.15 2wk3 n LEU 322 N 4.18 1.63 -0.34 -1.34 4.77 -1.26 -4.59 117.00 120.04 2wk3 n LEU 322 Ca 0.13 -0.80 0.18 0.00 -0.03 0.00 0.00 56.01 55.49 2wk3 n LEU 322 Cb 0.40 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 41.89 2wk3 n LEU 322 CO 0.61 0.31 1.16 -0.61 -1.33 0.00 0.00 177.39 177.53 2wk3 h GLN 323 N 1.82 0.53 0.00 3.23 5.75 -1.97 0.26 115.11 124.72 2wk3 h GLN 323 Ca 0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 2wk3 h GLN 323 Cb 0.51 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.94 2wk3 h GLN 323 CO 0.00 0.35 0.00 1.57 -2.65 0.00 0.00 178.83 178.10 2wk3 h LYS 324 N 0.55 0.00 -0.66 1.69 2.10 -2.00 -0.72 116.57 117.52 2wk3 h LYS 324 Ca 0.65 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.30 2wk3 h LYS 324 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2wk3 h LYS 324 CO -0.48 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 177.63 2wk3 n TYR 325 N -2.39 1.21 0.30 0.07 4.01 0.90 -4.55 117.16 116.71 2wk3 n TYR 325 Ca 0.01 -0.44 0.07 0.00 -0.16 0.00 0.00 57.90 57.37 2wk3 n TYR 325 Cb 0.19 -0.28 0.37 0.00 -0.31 0.00 0.00 39.34 39.30 2wk3 n TYR 325 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 2wk3 h TYR 326 N 2.74 0.00 0.03 -0.72 -0.00 -1.21 -0.16 116.97 117.64 2wk3 h TYR 326 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 58.73 58.51 2wk3 h TYR 326 Cb 1.28 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.00 2wk3 h TYR 326 CO 0.63 0.00 -0.98 0.87 -0.00 0.00 0.00 178.16 178.68 2wk3 h LYS 327 N 0.00 0.27 0.00 0.10 1.57 -1.87 -3.32 116.57 113.32 2wk3 h LYS 327 Ca 0.00 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2wk3 h LYS 327 Cb 1.28 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.70 2wk3 h LYS 327 CO 0.00 1.06 -1.61 -1.13 -0.57 0.00 0.00 179.45 177.19 2wk3 n SER 328 N -3.65 1.91 -3.84 0.86 3.41 -0.38 -0.02 113.62 111.91 2wk3 n SER 328 Ca -0.05 -0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.18 2wk3 n SER 328 Cb 0.87 1.61 0.03 0.00 -0.26 0.00 0.00 64.21 66.46 2wk3 n SER 328 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2wk3 n ASN 329 N -1.97 -4.78 0.10 4.04 2.85 -0.21 -4.78 115.26 110.51 2wk3 n ASN 329 Ca -0.02 -1.13 0.05 0.00 -0.11 0.00 0.00 54.58 53.36 2wk3 n ASN 329 Cb 0.35 -2.70 0.49 0.00 1.24 0.00 0.00 39.78 39.17 2wk3 n ASN 329 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2wk3 h PRO 330 N -2.20 0.32 -0.36 1.20 0.13 -1.92 -2.04 132.00 127.13 2wk3 h PRO 330 Ca -0.69 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 64.44 2wk3 h PRO 330 Cb 1.38 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 2wk3 h PRO 330 CO 0.50 0.24 0.18 0.78 -0.23 0.00 0.00 178.00 179.48 2wk3 h GLY 331 N 0.40 0.49 0.70 1.56 0.00 -1.93 -0.14 103.07 104.15 2wk3 h GLY 331 Ca 0.08 -0.13 0.09 0.00 0.00 0.00 0.00 47.33 47.37 2wk3 h GLY 331 CO -0.01 0.10 0.60 0.84 0.00 0.00 0.00 176.54 178.07 2wk3 h HIS 332 N 0.38 1.05 -0.27 5.60 6.17 -1.75 -1.01 115.15 125.32 2wk3 h HIS 332 Ca 0.15 0.03 -0.19 0.00 0.71 0.00 0.00 60.37 61.07 2wk3 h HIS 332 Cb 0.05 -0.34 0.00 0.00 2.52 0.00 0.00 27.41 29.65 2wk3 h HIS 332 CO -0.10 0.49 -0.58 -0.92 0.71 0.00 0.00 177.93 177.54 2wk3 h TYR 333 N 0.98 1.10 0.03 5.26 3.20 -0.91 -0.35 116.97 126.27 2wk3 h TYR 333 Ca 0.43 -0.41 -0.23 0.00 3.14 0.00 0.00 58.73 61.66 2wk3 h TYR 333 Cb 0.35 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.42 2wk3 h TYR 333 CO -0.00 1.24 -1.00 -0.07 -1.64 0.00 0.00 178.16 176.68 2wk3 h LEU 334 N 0.64 0.47 -0.77 2.82 3.38 -0.72 -2.76 115.31 118.38 2wk3 h LEU 334 Ca 0.00 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 2wk3 h LEU 334 Cb 1.19 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 2wk3 h LEU 334 CO 0.13 1.23 0.30 1.23 0.09 0.00 0.00 178.44 181.41 2wk3 h GLY 335 N 1.39 1.24 1.01 0.83 0.00 -1.14 0.17 103.07 106.57 2wk3 h GLY 335 Ca -0.09 -0.68 0.01 0.00 0.00 0.00 0.00 47.33 46.57 2wk3 h GLY 335 CO 0.17 0.64 0.64 0.84 0.00 0.00 0.00 176.54 178.83 2wk3 h HIS 336 N 1.12 1.22 0.10 5.60 -0.00 -0.85 0.15 115.15 122.49 2wk3 h HIS 336 Ca 0.25 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.65 2wk3 h HIS 336 Cb 0.23 -0.41 0.00 0.00 -0.00 0.00 0.00 27.41 27.23 2wk3 h HIS 336 CO 0.02 0.77 -0.05 -0.07 -0.00 0.00 0.00 177.93 178.60 2wk3 h LEU 337 N 1.31 -0.12 -1.56 0.26 4.07 -1.20 -2.35 115.31 115.73 2wk3 h LEU 337 Ca 0.35 0.00 0.23 0.00 0.08 0.00 0.00 57.88 58.55 2wk3 h LEU 337 Cb -0.14 0.03 -0.07 0.00 1.08 0.00 0.00 40.66 41.56 2wk3 h LEU 337 CO -0.08 0.36 0.63 0.40 -1.08 0.00 0.00 178.44 178.68 2wk3 h ILE 338 N -1.03 0.62 -0.05 1.22 2.04 -0.66 -0.25 117.51 119.39 2wk3 h ILE 338 Ca -0.01 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2wk3 h ILE 338 Cb 0.11 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 2wk3 h ILE 338 CO 0.02 0.06 0.00 0.61 0.00 0.00 0.00 178.15 178.85 2wk3 n GLY 339 N -1.54 0.76 3.51 5.37 0.00 0.53 -4.73 105.19 109.10 2wk3 n GLY 339 Ca 0.21 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 2wk3 n GLY 339 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wk3 n HIS 340 N 1.03 -0.32 -0.28 1.61 -0.00 -0.11 -4.78 115.22 112.38 2wk3 n HIS 340 Ca 0.16 0.37 0.00 0.00 0.46 0.00 0.00 57.72 58.71 2wk3 n HIS 340 Cb 0.53 -1.97 0.00 0.00 -0.12 0.00 0.00 29.99 28.43 2wk3 n HIS 340 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2wk3 n GLU 341 N -1.06 1.12 -1.76 1.57 1.02 -1.26 -4.31 120.64 115.97 2wk3 n GLU 341 Ca 0.11 -0.91 -0.14 0.00 -0.02 0.00 0.00 57.16 56.20 2wk3 n GLU 341 Cb 0.50 -0.86 0.08 0.00 -0.02 0.00 0.00 31.44 31.13 2wk3 n GLU 341 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wk3 n GLY 342 N -0.23 0.54 3.74 0.62 0.00 -1.26 -4.26 105.19 104.34 2wk3 n GLY 342 Ca 0.00 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 2wk3 n GLY 342 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wk3 n PRO 343 N -2.17 2.39 0.00 1.61 -0.02 -1.26 -1.53 135.00 134.02 2wk3 n PRO 343 Ca 0.10 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 2wk3 n PRO 343 Cb 0.36 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 2wk3 n PRO 343 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wk3 n GLY 344 N 0.61 2.35 3.75 -1.23 0.00 -1.26 -4.64 105.19 104.76 2wk3 n GLY 344 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2wk3 n GLY 344 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wk3 s SER 345 N -1.97 4.26 0.27 1.61 1.04 -0.59 -2.15 113.70 116.18 2wk3 s SER 345 Ca 0.00 1.95 0.00 0.00 0.48 0.00 0.00 55.95 58.38 2wk3 s SER 345 Cb 0.00 -2.54 0.55 0.00 0.10 0.00 0.00 66.02 64.13 2wk3 s SER 345 CO 0.00 -2.20 1.78 0.25 0.98 0.00 0.00 173.24 174.05 2wk3 h LEU 346 N -1.08 0.66 0.44 2.42 5.85 -1.85 -2.79 115.31 118.98 2wk3 h LEU 346 Ca -0.44 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 2wk3 h LEU 346 Cb 1.24 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 2wk3 h LEU 346 CO 0.50 0.30 -0.36 0.25 -0.34 0.00 0.00 178.44 178.79 2wk3 h LEU 347 N 0.74 -0.96 -0.59 2.25 6.46 -1.86 -2.12 115.31 119.23 2wk3 h LEU 347 Ca 0.48 0.07 0.06 0.00 -0.12 0.00 0.00 57.88 58.37 2wk3 h LEU 347 Cb 0.62 0.30 -0.08 0.00 -0.73 0.00 0.00 40.66 40.78 2wk3 h LEU 347 CO -0.33 -0.50 -0.32 -1.20 -0.62 0.00 0.00 178.44 175.47 2wk3 n SER 348 N -4.59 -0.57 -0.18 1.25 7.64 -1.07 0.55 113.62 116.65 2wk3 n SER 348 Ca -0.09 1.04 -0.07 0.00 1.01 0.00 0.00 58.87 60.76 2wk3 n SER 348 Cb 0.34 -0.16 0.02 0.00 -1.01 0.00 0.00 64.21 63.41 2wk3 n SER 348 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2wk3 h GLU 349 N 0.00 0.72 -0.19 1.43 4.57 -1.39 0.11 114.58 119.83 2wk3 h GLU 349 Ca 0.12 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.17 2wk3 h GLU 349 Cb 0.27 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 2wk3 h GLU 349 CO -0.56 0.53 -0.16 -0.07 -1.18 0.00 0.00 179.01 177.57 2wk3 h LEU 350 N 0.71 0.31 -0.08 1.64 3.38 0.81 -0.18 115.31 121.90 2wk3 h LEU 350 Ca 0.19 -0.08 -0.24 0.00 0.09 0.00 0.00 57.88 57.84 2wk3 h LEU 350 Cb -0.00 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 40.68 2wk3 h LEU 350 CO -0.04 0.49 -0.89 0.50 0.09 0.00 0.00 178.44 178.60 2wk3 h LYS 351 N 0.30 0.74 -0.46 1.13 3.64 -0.07 -0.17 116.57 121.66 2wk3 h LYS 351 Ca 0.06 -0.69 -0.01 0.00 -1.27 0.00 0.00 60.65 58.74 2wk3 h LYS 351 Cb 0.47 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 2wk3 h LYS 351 CO 0.03 1.28 0.25 0.77 -2.27 0.00 0.00 179.45 179.52 2wk3 h SER 352 N 0.44 0.56 0.63 4.20 0.02 -0.13 0.93 113.55 120.20 2wk3 h SER 352 Ca -0.09 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2wk3 h SER 352 Cb 1.54 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.93 2wk3 h SER 352 CO 0.18 0.46 0.00 0.29 -1.14 0.00 0.00 176.83 176.62 2wk3 n LYS 353 N -4.42 0.02 -1.89 3.45 4.76 -0.16 -4.87 118.16 115.05 2wk3 n LYS 353 Ca 0.04 0.21 -0.07 0.00 -2.87 0.00 0.00 58.31 55.62 2wk3 n LYS 353 Cb 0.10 -1.53 -0.01 0.00 -1.84 0.00 0.00 35.03 31.75 2wk3 n LYS 353 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wk3 n GLY 354 N 0.33 0.30 0.10 0.72 0.00 0.32 -4.97 105.19 101.98 2wk3 n GLY 354 Ca 0.04 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 2wk3 n GLY 354 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2wk3 h TRP 355 N 0.00 0.17 -3.31 1.61 6.55 -1.19 -3.37 115.95 116.41 2wk3 h TRP 355 Ca -0.16 -0.12 -0.05 0.00 0.95 0.00 0.00 58.89 59.50 2wk3 h TRP 355 Cb 0.95 -0.01 -0.13 0.00 -0.86 0.00 0.00 29.16 29.11 2wk3 h TRP 355 CO 0.19 1.22 -0.06 0.14 -1.05 0.00 0.00 178.44 178.89 2wk3 s VAL 356 N -2.60 0.06 -0.08 1.49 -7.23 -1.20 -1.74 120.40 109.11 2wk3 s VAL 356 Ca -0.09 -0.52 0.03 0.00 -1.81 0.00 0.00 61.98 59.60 2wk3 s VAL 356 Cb 0.08 -1.13 -0.07 0.00 0.56 0.00 0.00 36.38 35.82 2wk3 s VAL 356 CO 0.82 -0.29 -0.03 0.59 -0.31 0.00 0.00 175.10 175.88 2wk3 n ASN 357 N -0.14 3.36 -4.13 4.85 3.02 -1.26 -4.11 115.26 116.85 2wk3 n ASN 357 Ca -0.16 -0.02 -0.17 0.00 -0.03 0.00 0.00 54.58 54.19 2wk3 n ASN 357 Cb 0.63 0.24 -0.12 0.00 -0.61 0.00 0.00 39.78 39.92 2wk3 n ASN 357 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2wk3 s THR 358 N -2.16 0.92 -0.04 3.41 -4.23 -1.26 -5.02 115.64 107.25 2wk3 s THR 358 Ca -0.08 -1.20 -0.03 0.00 -1.18 0.00 0.00 61.69 59.20 2wk3 s THR 358 Cb 0.02 -0.91 0.01 0.00 1.34 0.00 0.00 72.50 72.97 2wk3 s THR 358 CO 0.23 -0.26 0.10 -0.22 -0.54 0.00 0.00 174.62 173.94 2wk3 s LEU 359 N -1.63 1.50 -0.08 4.79 0.20 -1.26 -2.03 118.68 120.17 2wk3 s LEU 359 Ca -0.04 0.21 0.02 0.00 0.69 0.00 0.00 54.13 55.01 2wk3 s LEU 359 Cb -0.10 0.34 0.01 0.00 -0.43 0.00 0.00 46.19 46.02 2wk3 s LEU 359 CO 0.02 -0.05 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.20 2wk3 s VAL 360 N 0.20 1.30 0.06 1.68 1.01 0.36 -4.98 120.40 120.03 2wk3 s VAL 360 Ca -0.01 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.45 2wk3 s VAL 360 Cb -0.02 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 2wk3 s VAL 360 CO -0.01 0.40 -0.11 -0.83 0.00 0.00 0.00 175.10 174.55 2wk3 s GLY 361 N 0.81 0.69 0.00 4.51 0.00 -1.26 -0.70 107.32 111.37 2wk3 s GLY 361 Ca -0.11 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.73 2wk3 s GLY 361 CO 0.02 -0.91 0.00 0.61 0.00 0.00 0.00 173.10 172.82 2wk3 n GLY 362 N 1.41 0.93 3.85 0.20 0.00 -0.36 -4.56 105.19 106.66 2wk3 n GLY 362 Ca -0.22 -1.93 -0.35 0.00 0.00 0.00 0.00 46.02 43.52 2wk3 n GLY 362 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wk3 s GLN 363 N -1.81 3.89 -0.05 1.61 -2.07 -1.26 -0.36 119.66 119.60 2wk3 s GLN 363 Ca 0.00 0.36 0.05 0.00 -1.82 0.00 0.00 55.36 53.95 2wk3 s GLN 363 Cb 0.00 -2.97 -0.01 0.00 -1.09 0.00 0.00 33.01 28.95 2wk3 s GLN 363 CO 0.00 0.52 -0.22 0.21 -1.32 0.00 0.00 175.29 174.48 2wk3 s LYS 364 N -1.91 2.25 0.50 9.60 2.20 0.76 -4.91 119.74 128.23 2wk3 s LYS 364 Ca 0.35 -0.78 -0.23 0.00 -0.36 0.00 0.00 55.97 54.96 2wk3 s LYS 364 Cb -0.15 -1.91 -0.07 0.00 -1.51 0.00 0.00 37.83 34.20 2wk3 s LYS 364 CO 0.19 0.31 1.30 0.39 -0.36 0.00 0.00 175.35 177.18 2wk3 n GLU 365 N 3.08 1.76 0.00 4.03 1.02 -1.26 -1.75 120.64 127.52 2wk3 n GLU 365 Ca -0.18 0.64 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 2wk3 n GLU 365 Cb 0.52 -2.48 0.00 0.00 -0.02 0.00 0.00 31.44 29.46 2wk3 n GLU 365 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wk3 n GLY 366 N 0.80 1.01 2.42 0.62 0.00 -1.20 -4.69 105.19 104.17 2wk3 n GLY 366 Ca 0.09 -0.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 2wk3 n GLY 366 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wk3 n ALA 367 N -3.00 -0.68 -1.54 4.61 0.00 -0.15 -4.97 120.51 114.78 2wk3 n ALA 367 Ca 0.00 -1.00 -0.47 0.00 0.00 0.00 0.00 53.44 51.97 2wk3 n ALA 367 Cb 0.00 0.80 -0.05 0.00 0.00 0.00 0.00 19.45 20.20 2wk3 n ALA 367 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wk3 n ARG 368 N -0.38 1.61 0.00 0.00 5.12 -1.26 -1.99 116.66 119.76 2wk3 n ARG 368 Ca -0.03 0.47 0.00 0.00 -1.93 0.00 0.00 57.85 56.36 2wk3 n ARG 368 Cb 0.40 -2.81 0.00 0.00 -1.16 0.00 0.00 32.46 28.89 2wk3 n ARG 368 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wk3 n GLY 369 N 5.91 1.98 3.33 -0.13 0.00 -1.26 -0.63 105.19 114.39 2wk3 n GLY 369 Ca 0.34 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.23 2wk3 n GLY 369 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wk3 s PHE 370 N -1.92 -0.28 0.35 1.61 -0.12 -0.84 -3.78 117.98 112.99 2wk3 s PHE 370 Ca 0.00 0.22 -0.00 0.00 -0.05 0.00 0.00 56.93 57.10 2wk3 s PHE 370 Cb 0.00 0.24 -0.00 0.00 -0.63 0.00 0.00 43.02 42.63 2wk3 s PHE 370 CO 0.00 -0.60 0.45 -1.64 -0.05 0.00 0.00 175.22 173.38 2wk3 s MET 371 N -2.65 1.92 0.11 1.99 -1.94 -0.77 -0.97 119.30 117.00 2wk3 s MET 371 Ca -0.04 -1.83 0.01 0.00 -1.71 0.00 0.00 55.69 52.12 2wk3 s MET 371 Cb -0.00 0.43 -0.04 0.00 2.01 0.00 0.00 34.83 37.22 2wk3 s MET 371 CO -0.04 -0.79 -0.04 -0.06 -0.01 0.00 0.00 175.02 174.09 2wk3 s PHE 372 N -3.04 0.92 -0.11 -0.03 0.40 -0.72 -1.51 117.98 113.89 2wk3 s PHE 372 Ca 0.32 -0.97 0.02 0.00 -0.60 0.00 0.00 56.93 55.71 2wk3 s PHE 372 Cb -0.00 -0.54 0.01 0.00 0.51 0.00 0.00 43.02 43.00 2wk3 s PHE 372 CO 0.22 -0.20 -0.19 0.12 0.70 0.00 0.00 175.22 175.87 2wk3 s PHE 373 N -3.68 2.25 0.11 0.36 2.19 0.27 -0.17 117.98 119.32 2wk3 s PHE 373 Ca 0.15 -1.04 0.10 0.00 0.33 0.00 0.00 56.93 56.46 2wk3 s PHE 373 Cb 0.06 -1.56 -0.04 0.00 -1.31 0.00 0.00 43.02 40.17 2wk3 s PHE 373 CO -0.03 -0.49 -0.23 0.96 1.83 0.00 0.00 175.22 177.26 2wk3 s ILE 374 N 0.79 2.50 -0.11 3.12 -4.36 0.51 -0.16 121.20 123.49 2wk3 s ILE 374 Ca -0.10 -1.60 -0.01 0.00 -0.26 0.00 0.00 60.65 58.69 2wk3 s ILE 374 Cb -0.16 -2.11 0.03 0.00 1.25 0.00 0.00 42.46 41.48 2wk3 s ILE 374 CO 0.01 0.13 -0.03 -0.63 0.24 0.00 0.00 174.94 174.66 2wk3 s ILE 375 N -1.06 0.73 -0.06 8.37 1.01 -0.14 -1.22 121.20 128.82 2wk3 s ILE 375 Ca 0.15 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.63 2wk3 s ILE 375 Cb -0.10 -0.88 0.00 0.00 0.01 0.00 0.00 42.46 41.49 2wk3 s ILE 375 CO 0.07 0.23 -0.16 0.20 0.00 0.00 0.00 174.94 175.28 2wk3 s ASN 376 N 1.82 2.12 0.15 3.58 0.01 0.12 -0.94 114.94 121.80 2wk3 s ASN 376 Ca 0.04 -0.36 0.04 0.00 -0.71 0.00 0.00 52.86 51.87 2wk3 s ASN 376 Cb -0.13 -0.82 -0.04 0.00 0.41 0.00 0.00 41.25 40.67 2wk3 s ASN 376 CO -0.07 0.10 -0.09 0.68 -1.51 0.00 0.00 177.10 176.22 2wk3 s VAL 377 N 0.35 1.08 0.45 1.60 -7.23 -0.00 -0.48 120.40 116.16 2wk3 s VAL 377 Ca -0.11 -2.04 -0.03 0.00 -1.81 0.00 0.00 61.98 57.99 2wk3 s VAL 377 Cb -0.14 -1.88 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 2wk3 s VAL 377 CO 0.04 -0.72 0.71 1.51 -0.31 0.00 0.00 175.10 176.33 2wk3 s ASP 378 N -3.16 6.14 -0.03 4.85 3.84 -0.86 -1.55 116.67 125.89 2wk3 s ASP 378 Ca 0.17 0.67 0.07 0.00 -0.00 0.00 0.00 52.55 53.47 2wk3 s ASP 378 Cb 0.03 -2.02 -0.02 0.00 -1.38 0.00 0.00 42.92 39.53 2wk3 s ASP 378 CO 0.01 -0.57 -0.24 -0.76 -0.00 0.00 0.00 175.17 173.60 2wk3 s LEU 379 N -4.62 2.05 0.89 2.11 1.43 -0.19 -4.15 118.68 116.18 2wk3 s LEU 379 Ca 0.46 -0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 52.97 2wk3 s LEU 379 Cb -0.10 -1.29 0.16 0.00 0.03 0.00 0.00 46.19 44.99 2wk3 s LEU 379 CO 0.41 0.28 1.24 0.42 0.23 0.00 0.00 176.35 178.93 2wk3 s THR 380 N -0.42 2.04 0.32 5.49 -4.23 -0.71 -4.64 115.64 113.48 2wk3 s THR 380 Ca 0.05 -0.09 0.02 0.00 -1.18 0.00 0.00 61.69 60.49 2wk3 s THR 380 Cb -0.11 -2.95 0.16 0.00 1.34 0.00 0.00 72.50 70.94 2wk3 s THR 380 CO 0.01 0.00 1.86 -0.33 -0.54 0.00 0.00 174.62 175.62 2wk3 h GLU 381 N -1.33 0.64 -0.43 3.99 5.08 -1.89 -1.12 114.58 119.52 2wk3 h GLU 381 Ca -0.44 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 57.70 2wk3 h GLU 381 Cb 1.26 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2wk3 h GLU 381 CO 0.45 0.62 -0.09 0.93 -1.00 0.00 0.00 179.01 179.92 2wk3 h GLU 382 N 0.61 0.81 -0.69 2.33 4.39 -1.91 -3.18 114.58 116.94 2wk3 h GLU 382 Ca 0.13 -0.30 0.15 0.00 0.34 0.00 0.00 59.36 59.69 2wk3 h GLU 382 Cb 0.30 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.86 2wk3 h GLU 382 CO 0.00 0.92 0.47 0.78 -1.16 0.00 0.00 179.01 180.03 2wk3 h GLY 383 N 0.64 0.48 1.76 -3.84 0.00 -1.33 0.11 103.07 100.87 2wk3 h GLY 383 Ca 0.11 -0.12 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 2wk3 h GLY 383 CO 0.04 0.04 -0.53 -2.00 0.00 0.00 0.00 176.54 174.09 2wk3 h LEU 384 N 0.28 0.28 -0.48 3.11 5.85 -1.39 -2.19 115.31 120.78 2wk3 h LEU 384 Ca 0.34 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2wk3 h LEU 384 Cb 0.91 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 2wk3 h LEU 384 CO -0.08 0.76 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.67 2wk3 h LEU 385 N 0.20 0.00 -3.75 2.25 3.38 -0.90 -3.32 115.31 113.16 2wk3 h LEU 385 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 2wk3 h LEU 385 Cb 1.00 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.46 2wk3 h LEU 385 CO 0.08 0.04 0.10 1.41 0.09 0.00 0.00 178.44 180.16 2wk3 n HIS 386 N -3.12 2.50 0.06 1.13 8.25 -0.49 -4.80 115.22 118.74 2wk3 n HIS 386 Ca 0.03 -2.29 -0.12 0.00 -0.26 0.00 0.00 57.72 55.07 2wk3 n HIS 386 Cb 0.47 -0.82 -0.07 0.00 1.12 0.00 0.00 29.99 30.69 2wk3 n HIS 386 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2wk3 h VAL 387 N 1.34 0.97 -1.00 1.59 2.07 -1.64 -0.67 116.25 118.91 2wk3 h VAL 387 Ca 0.44 -0.04 0.20 0.00 0.82 0.00 0.00 66.70 68.11 2wk3 h VAL 387 Cb 1.47 1.00 -0.11 0.00 -1.52 0.00 0.00 31.29 32.14 2wk3 h VAL 387 CO 0.98 0.01 0.61 -0.08 0.02 0.00 0.00 177.57 179.11 2wk3 h GLU 388 N -0.07 0.72 -0.28 1.57 4.81 -1.92 -0.69 114.58 118.72 2wk3 h GLU 388 Ca -0.01 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.01 2wk3 h GLU 388 Cb 0.06 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 2wk3 h GLU 388 CO 0.01 0.48 -0.48 -0.44 -0.73 0.00 0.00 179.01 177.85 2wk3 h ASP 389 N 0.74 0.91 -0.69 1.04 3.32 -1.79 -1.68 116.42 118.26 2wk3 h ASP 389 Ca 0.58 -0.53 0.07 0.00 0.02 0.00 0.00 57.03 57.18 2wk3 h ASP 389 Cb 0.94 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 40.17 2wk3 h ASP 389 CO -0.38 1.26 0.38 0.40 -1.72 0.00 0.00 179.24 179.17 2wk3 h ILE 390 N 0.58 0.94 -0.31 0.35 2.04 -0.26 0.03 117.51 120.87 2wk3 h ILE 390 Ca 0.02 -0.23 -0.15 0.00 1.00 0.00 0.00 64.86 65.49 2wk3 h ILE 390 Cb 1.08 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2wk3 h ILE 390 CO 0.11 0.12 -0.42 0.40 0.00 0.00 0.00 178.15 178.36 2wk3 h ILE 391 N 0.68 1.28 -0.38 -0.67 2.04 -1.03 -1.31 117.51 118.13 2wk3 h ILE 391 Ca 0.32 -1.60 0.06 0.00 1.00 0.00 0.00 64.86 64.64 2wk3 h ILE 391 Cb 0.24 1.49 -0.06 0.00 -0.74 0.00 0.00 36.82 37.75 2wk3 h ILE 391 CO -0.21 0.52 0.04 0.25 0.00 0.00 0.00 178.15 178.76 2wk3 h LEU 392 N 0.63 -0.06 -1.45 1.44 5.85 -0.79 0.12 115.31 121.05 2wk3 h LEU 392 Ca 0.05 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 2wk3 h LEU 392 Cb 0.98 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2wk3 h LEU 392 CO 0.09 0.00 -0.01 0.45 -0.34 0.00 0.00 178.44 178.64 2wk3 h HIS 393 N 0.16 0.35 -0.51 1.25 3.86 -0.57 0.10 115.15 119.79 2wk3 h HIS 393 Ca 0.19 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 2wk3 h HIS 393 Cb 0.24 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 2wk3 h HIS 393 CO -0.22 0.37 0.27 0.52 0.86 0.00 0.00 177.93 179.72 2wk3 h MET 394 N 0.34 0.72 -0.03 2.45 2.86 0.33 -1.64 114.93 119.96 2wk3 h MET 394 Ca 0.08 -0.09 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 2wk3 h MET 394 Cb 0.24 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2wk3 h MET 394 CO 0.01 0.58 -0.44 0.74 1.06 0.00 0.00 176.91 178.86 2wk3 h PHE 395 N 0.68 0.08 -0.49 -0.22 -1.00 -0.14 -1.03 116.94 114.83 2wk3 h PHE 395 Ca 0.18 -0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.89 2wk3 h PHE 395 Cb 0.08 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.60 2wk3 h PHE 395 CO -0.01 0.50 0.11 1.96 -1.61 0.00 0.00 178.31 179.26 2wk3 h GLN 396 N 0.06 0.78 -0.71 1.51 4.20 -0.58 0.33 115.11 120.70 2wk3 h GLN 396 Ca 0.00 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.45 2wk3 h GLN 396 Cb 0.80 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 2wk3 h GLN 396 CO 0.06 0.77 0.17 -0.92 -0.67 0.00 0.00 178.83 178.23 2wk3 h TYR 397 N 0.67 1.20 -0.70 2.96 3.20 -0.87 0.14 116.97 123.57 2wk3 h TYR 397 Ca 0.15 -0.15 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 2wk3 h TYR 397 Cb 0.34 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 2wk3 h TYR 397 CO 0.02 0.97 0.33 0.82 -1.64 0.00 0.00 178.16 178.66 2wk3 h ILE 398 N 1.08 1.23 -0.28 1.81 2.04 -0.68 -1.69 117.51 121.02 2wk3 h ILE 398 Ca 0.22 -0.67 -0.07 0.00 1.00 0.00 0.00 64.86 65.35 2wk3 h ILE 398 Cb 0.38 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 2wk3 h ILE 398 CO 0.00 0.28 -0.12 -0.61 0.00 0.00 0.00 178.15 177.70 2wk3 h GLN 399 N 0.98 0.48 -0.94 2.37 5.75 0.64 0.23 115.11 124.61 2wk3 h GLN 399 Ca 0.24 -0.13 0.01 0.00 -0.15 0.00 0.00 58.65 58.62 2wk3 h GLN 399 Cb 0.13 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.58 2wk3 h GLN 399 CO -0.03 0.60 0.62 -0.22 -2.65 0.00 0.00 178.83 177.15 2wk3 h LYS 400 N 0.44 1.23 -0.02 1.69 1.63 0.13 -0.53 116.57 121.14 2wk3 h LYS 400 Ca 0.08 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2wk3 h LYS 400 Cb 0.48 -0.28 -0.00 0.00 -0.60 0.00 0.00 32.23 31.83 2wk3 h LYS 400 CO 0.03 0.81 0.01 -0.07 -3.45 0.00 0.00 179.45 176.78 2wk3 h LEU 401 N 1.27 0.03 -0.60 5.20 3.38 -0.41 -2.12 115.31 122.06 2wk3 h LEU 401 Ca 0.34 -0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.31 2wk3 h LEU 401 Cb -0.14 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.50 2wk3 h LEU 401 CO -0.08 0.15 -0.03 0.03 0.09 0.00 0.00 178.44 178.61 2wk3 h ARG 402 N -0.09 0.09 -0.75 1.13 3.08 -0.71 -1.68 114.38 115.45 2wk3 h ARG 402 Ca 0.01 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2wk3 h ARG 402 Cb 0.13 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 2wk3 h ARG 402 CO -0.00 0.06 0.37 0.00 -1.07 0.00 0.00 179.97 179.33 2wk3 h ALA 403 N 1.56 1.25 0.00 0.04 0.00 -0.77 -2.76 119.26 118.57 2wk3 h ALA 403 Ca 0.31 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2wk3 h ALA 403 Cb 0.49 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2wk3 h ALA 403 CO -0.53 0.59 -0.50 0.39 0.00 0.00 0.00 179.25 179.19 2wk3 n GLU 404 N -4.33 0.24 -1.35 0.00 -0.58 -0.83 -5.07 120.64 108.72 2wk3 n GLU 404 Ca 0.07 0.09 0.17 0.00 -0.42 0.00 0.00 57.16 57.07 2wk3 n GLU 404 Cb 0.13 -1.67 -0.06 0.00 -0.57 0.00 0.00 31.44 29.27 2wk3 n GLU 404 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wk3 n GLY 405 N 1.36 -2.26 3.76 0.62 0.00 -0.67 -4.87 105.19 103.12 2wk3 n GLY 405 Ca 0.04 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 2wk3 n GLY 405 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wk3 s PRO 406 N -3.12 3.46 -0.26 1.61 0.02 -1.26 -4.95 135.00 130.49 2wk3 s PRO 406 Ca 0.00 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.08 2wk3 s PRO 406 Cb 0.00 -2.37 0.05 0.00 0.02 0.00 0.00 34.50 32.20 2wk3 s PRO 406 CO 0.00 -0.88 -0.07 -0.65 -0.33 0.00 0.00 177.00 175.07 2wk3 s GLN 407 N -2.76 2.50 0.31 5.54 -1.52 -1.26 -4.98 119.66 117.48 2wk3 s GLN 407 Ca 0.67 -1.20 0.01 0.00 -1.95 0.00 0.00 55.36 52.90 2wk3 s GLN 407 Cb -0.36 -2.98 0.50 0.00 -0.22 0.00 0.00 33.01 29.95 2wk3 s GLN 407 CO 0.43 -0.52 1.86 1.49 -0.25 0.00 0.00 175.29 178.30 2wk3 h GLU 408 N 7.91 0.70 -0.82 2.91 4.81 -2.00 -2.52 114.58 125.58 2wk3 h GLU 408 Ca -0.25 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 58.87 2wk3 h GLU 408 Cb 1.07 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.30 2wk3 h GLU 408 CO 0.52 0.65 0.54 0.11 -0.73 0.00 0.00 179.01 180.11 2wk3 h TRP 409 N 0.68 1.00 0.46 0.92 5.08 -1.98 0.55 115.95 122.66 2wk3 h TRP 409 Ca 0.15 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 60.12 2wk3 h TRP 409 Cb 0.28 -0.34 0.00 0.00 -3.00 0.00 0.00 29.16 26.11 2wk3 h TRP 409 CO 0.01 0.60 -0.22 0.28 -1.28 0.00 0.00 178.44 177.84 2wk3 h VAL 410 N 1.06 0.55 -0.73 0.12 2.07 -1.89 -0.52 116.25 116.89 2wk3 h VAL 410 Ca 0.32 -0.09 0.13 0.00 0.82 0.00 0.00 66.70 67.87 2wk3 h VAL 410 Cb -0.03 0.59 -0.09 0.00 -1.52 0.00 0.00 31.29 30.24 2wk3 h VAL 410 CO -0.08 0.02 0.31 0.15 0.02 0.00 0.00 177.57 177.98 2wk3 h PHE 411 N -0.67 0.53 -0.64 1.57 3.57 -1.15 -0.26 116.94 119.89 2wk3 h PHE 411 Ca -0.06 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 2wk3 h PHE 411 Cb 0.50 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 2wk3 h PHE 411 CO -0.03 0.11 0.32 0.37 -2.23 0.00 0.00 178.31 176.84 2wk3 h GLN 412 N 0.48 0.90 -0.25 1.11 5.75 0.45 0.27 115.11 123.83 2wk3 h GLN 412 Ca 0.39 -0.11 -0.11 0.00 -0.15 0.00 0.00 58.65 58.67 2wk3 h GLN 412 Cb 0.55 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 28.92 2wk3 h GLN 412 CO -0.36 0.69 -0.29 1.49 -2.65 0.00 0.00 178.83 177.71 2wk3 h GLU 413 N 0.90 0.63 -0.21 1.69 4.81 -0.16 -0.71 114.58 121.53 2wk3 h GLU 413 Ca 0.23 -0.35 0.03 0.00 -0.13 0.00 0.00 59.36 59.14 2wk3 h GLU 413 Cb 0.08 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 2wk3 h GLU 413 CO -0.03 0.96 0.01 -0.07 -0.73 0.00 0.00 179.01 179.15 2wk3 h LEU 414 N 0.35 -0.05 -0.79 1.64 3.38 -0.50 -1.22 115.31 118.11 2wk3 h LEU 414 Ca 0.03 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.18 2wk3 h LEU 414 Cb 0.86 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.59 2wk3 h LEU 414 CO 0.07 0.00 0.38 0.50 0.09 0.00 0.00 178.44 179.49 2wk3 h LYS 415 N 0.09 0.56 -0.25 1.13 3.64 -0.27 -1.14 116.57 120.33 2wk3 h LYS 415 Ca 0.10 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.27 2wk3 h LYS 415 Cb 0.11 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2wk3 h LYS 415 CO -0.15 0.37 -0.55 -0.44 -2.27 0.00 0.00 179.45 176.40 2wk3 h ASP 416 N 0.58 0.84 -0.25 4.20 3.32 -0.64 -0.75 116.42 123.72 2wk3 h ASP 416 Ca 0.42 -0.45 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 2wk3 h ASP 416 Cb 0.57 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2wk3 h ASP 416 CO -0.35 1.22 -0.01 0.25 -1.72 0.00 0.00 179.24 178.63 2wk3 h LEU 417 N 0.57 0.44 -1.28 1.55 5.85 -1.00 -1.15 115.31 120.29 2wk3 h LEU 417 Ca 0.01 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.47 2wk3 h LEU 417 Cb 1.14 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 2wk3 h LEU 417 CO 0.12 0.65 0.52 0.78 -0.34 0.00 0.00 178.44 180.17 2wk3 h ASN 418 N 0.22 0.77 -0.29 1.25 4.21 -1.16 0.43 115.58 121.01 2wk3 h ASN 418 Ca 0.07 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.45 2wk3 h ASN 418 Cb 0.43 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 2wk3 h ASN 418 CO 0.01 0.50 -0.30 0.00 -1.29 0.00 0.00 177.43 176.35 2wk3 h ALA 419 N 1.56 0.77 -0.03 -0.83 0.00 -0.39 -1.31 119.26 119.03 2wk3 h ALA 419 Ca 0.34 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wk3 h ALA 419 Cb 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2wk3 h ALA 419 CO -0.12 0.65 -0.00 0.28 0.00 0.00 0.00 179.25 180.06 2wk3 h VAL 420 N 0.68 1.27 -0.98 0.00 2.07 -0.69 0.52 116.25 119.12 2wk3 h VAL 420 Ca 0.08 -0.82 0.18 0.00 0.82 0.00 0.00 66.70 66.96 2wk3 h VAL 420 Cb 0.84 1.77 -0.09 0.00 -1.52 0.00 0.00 31.29 32.30 2wk3 h VAL 420 CO 0.07 0.22 0.61 0.00 0.02 0.00 0.00 177.57 178.49 2wk3 h ALA 421 N 0.67 1.78 0.04 1.67 0.00 -0.85 0.87 119.26 123.44 2wk3 h ALA 421 Ca 0.01 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 2wk3 h ALA 421 Cb 0.35 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.06 2wk3 h ALA 421 CO 0.00 -0.11 -0.77 0.35 0.00 0.00 0.00 179.25 178.73 2wk3 h PHE 422 N 0.72 0.70 -0.64 0.00 3.57 -0.99 -0.05 116.94 120.25 2wk3 h PHE 422 Ca 0.53 -0.41 0.12 0.00 3.53 0.00 0.00 57.97 61.75 2wk3 h PHE 422 Cb 0.88 -0.07 -0.09 0.00 2.79 0.00 0.00 35.95 39.47 2wk3 h PHE 422 CO -0.00 1.25 0.17 -0.09 -2.23 0.00 0.00 178.31 177.40 2wk3 h ARG 423 N -0.04 0.29 -0.46 1.11 2.43 -0.23 -3.16 114.38 114.32 2wk3 h ARG 423 Ca -0.11 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2wk3 h ARG 423 Cb 1.49 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 2wk3 h ARG 423 CO 0.15 0.19 0.00 1.19 -1.51 0.00 0.00 179.97 179.99 2wk3 n PHE 424 N -5.10 0.84 -1.52 2.20 3.01 0.24 -4.33 117.46 112.79 2wk3 n PHE 424 Ca 0.10 -0.59 -0.49 0.00 1.01 0.00 0.00 57.45 57.48 2wk3 n PHE 424 Cb 0.35 -0.12 -0.04 0.00 -0.01 0.00 0.00 39.48 39.67 2wk3 n PHE 424 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2wk3 n LYS 425 N 0.65 0.69 -1.94 -1.08 4.81 -0.04 -4.94 118.16 116.30 2wk3 n LYS 425 Ca 0.18 0.25 -0.38 0.00 -0.87 0.00 0.00 58.31 57.49 2wk3 n LYS 425 Cb 0.63 -1.58 0.02 0.00 0.02 0.00 0.00 35.03 34.13 2wk3 n LYS 425 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2wk3 s ASP 426 N -0.39 5.57 0.06 3.14 1.01 -1.26 -4.97 116.67 119.84 2wk3 s ASP 426 Ca 0.71 2.61 -0.31 0.00 0.71 0.00 0.00 52.55 56.27 2wk3 s ASP 426 Cb -0.91 -2.62 -0.07 0.00 1.01 0.00 0.00 42.92 40.33 2wk3 s ASP 426 CO 0.55 -1.35 1.44 -0.75 0.21 0.00 0.00 175.17 175.27 2wk3 s LYS 427 N -2.83 4.28 0.55 8.23 2.20 -1.26 -4.99 119.74 125.92 2wk3 s LYS 427 Ca 0.69 2.07 -0.15 0.00 -0.36 0.00 0.00 55.97 58.22 2wk3 s LYS 427 Cb -0.36 -3.44 -0.07 0.00 -1.51 0.00 0.00 37.83 32.45 2wk3 s LYS 427 CO 0.43 -0.55 1.00 -1.21 -0.36 0.00 0.00 175.35 174.67 2wk3 s GLU 428 N 1.91 3.81 0.29 4.03 8.01 -1.26 -4.09 118.70 131.41 2wk3 s GLU 428 Ca 0.66 0.92 -0.29 0.00 0.01 0.00 0.00 54.97 56.27 2wk3 s GLU 428 Cb -0.35 -2.11 -0.10 0.00 -4.31 0.00 0.00 34.13 27.26 2wk3 s GLU 428 CO 0.29 -0.39 1.26 1.03 0.01 0.00 0.00 175.26 177.46 2wk3 s ARG 429 N -4.35 4.43 0.15 1.61 0.52 -1.26 -4.95 118.95 115.10 2wk3 s ARG 429 Ca 0.58 2.09 -0.17 0.00 -0.52 0.00 0.00 55.73 57.71 2wk3 s ARG 429 Cb -0.11 -3.12 0.06 0.00 0.52 0.00 0.00 34.95 32.30 2wk3 s ARG 429 CO 0.37 -0.11 1.70 -1.35 0.02 0.00 0.00 175.30 175.93 2wk3 h PRO 430 N 3.91 0.06 0.25 3.54 0.11 -1.96 -2.01 132.00 135.90 2wk3 h PRO 430 Ca -0.47 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.64 2wk3 h PRO 430 Cb 1.22 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2wk3 h PRO 430 CO 0.68 0.04 -0.40 -0.09 -0.21 0.00 0.00 178.00 178.02 2wk3 h ARG 431 N 0.06 -0.69 -0.48 1.05 2.43 -1.90 0.10 114.38 114.95 2wk3 h ARG 431 Ca 0.16 0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2wk3 h ARG 431 Cb 0.23 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 2wk3 h ARG 431 CO -0.29 -0.46 0.32 0.78 -1.51 0.00 0.00 179.97 178.80 2wk3 h GLY 432 N -0.72 0.63 0.49 2.80 0.00 -1.95 -1.95 103.07 102.36 2wk3 h GLY 432 Ca -0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 2wk3 h GLY 432 CO -0.16 0.21 -0.24 -1.82 0.00 0.00 0.00 176.54 174.53 2wk3 h TYR 433 N 0.58 0.27 -0.99 5.60 3.20 -0.56 0.11 116.97 125.18 2wk3 h TYR 433 Ca 0.19 -0.14 0.07 0.00 3.14 0.00 0.00 58.73 61.99 2wk3 h TYR 433 Cb 0.04 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.21 2wk3 h TYR 433 CO -0.00 0.91 0.64 1.79 -1.64 0.00 0.00 178.16 179.86 2wk3 h THR 434 N -0.45 1.07 -0.14 1.81 1.35 -0.73 -0.87 112.91 114.96 2wk3 h THR 434 Ca -0.03 -0.39 -0.02 0.00 -0.55 0.00 0.00 66.41 65.42 2wk3 h THR 434 Cb 0.96 -0.18 -0.01 0.00 -1.73 0.00 0.00 68.15 67.20 2wk3 h THR 434 CO 0.05 0.21 0.02 -1.28 -0.25 0.00 0.00 175.52 174.27 2wk3 h SER 435 N 1.15 0.23 -0.48 5.36 0.87 -1.11 0.11 113.55 119.68 2wk3 h SER 435 Ca 0.43 -0.26 -0.04 0.00 -1.23 0.00 0.00 61.79 60.69 2wk3 h SER 435 Cb 0.19 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2wk3 h SER 435 CO -0.18 0.44 0.16 0.11 -0.53 0.00 0.00 176.83 176.82 2wk3 h LYS 436 N 0.01 0.74 -0.35 2.24 6.56 -0.50 -2.65 116.57 122.62 2wk3 h LYS 436 Ca 0.04 -0.15 -0.09 0.00 -1.06 0.00 0.00 60.65 59.39 2wk3 h LYS 436 Cb 0.31 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.85 2wk3 h LYS 436 CO 0.00 0.69 -0.14 0.82 -2.06 0.00 0.00 179.45 178.76 2wk3 h ILE 437 N 0.64 1.28 -1.01 1.86 2.04 -0.99 -1.38 117.51 119.95 2wk3 h ILE 437 Ca 0.16 -1.25 0.27 0.00 1.00 0.00 0.00 64.86 65.04 2wk3 h ILE 437 Cb 0.25 1.36 -0.06 0.00 -0.74 0.00 0.00 36.82 37.63 2wk3 h ILE 437 CO -0.01 0.41 0.69 0.00 0.00 0.00 0.00 178.15 179.24 2wk3 h ALA 438 N 0.79 2.61 -0.15 1.87 0.00 -0.56 -0.27 119.26 123.55 2wk3 h ALA 438 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 2wk3 h ALA 438 Cb 0.67 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2wk3 h ALA 438 CO 0.05 -0.94 -0.67 0.78 0.00 0.00 0.00 179.25 178.47 2wk3 h GLY 439 N 0.19 0.65 1.00 0.00 0.00 -0.91 -3.31 103.07 100.69 2wk3 h GLY 439 Ca 0.52 -0.85 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2wk3 h GLY 439 CO -0.13 0.76 -0.52 0.29 0.00 0.00 0.00 176.54 176.94 2wk3 n ILE 440 N -3.92 0.02 0.19 2.60 -5.35 -0.16 -3.32 119.36 109.42 2wk3 n ILE 440 Ca -0.05 -0.02 0.10 0.00 -0.27 0.00 0.00 62.75 62.52 2wk3 n ILE 440 Cb 0.68 0.23 0.51 0.00 -1.74 0.00 0.00 39.64 39.32 2wk3 n ILE 440 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2wk3 n LEU 441 N -1.54 0.51 0.01 7.28 4.77 -0.88 -0.74 117.00 126.41 2wk3 n LEU 441 Ca 0.05 0.72 0.13 0.00 -0.03 0.00 0.00 56.01 56.89 2wk3 n LEU 441 Cb 0.34 -0.76 0.58 0.00 -2.33 0.00 0.00 43.42 41.25 2wk3 n LEU 441 CO 0.35 -0.84 0.94 1.41 -1.33 0.00 0.00 177.39 177.92 2wk3 n HIS 442 N -2.16 0.11 0.04 -1.77 8.25 -1.21 -4.09 115.22 114.39 2wk3 n HIS 442 Ca -0.01 0.03 0.01 0.00 -0.26 0.00 0.00 57.72 57.50 2wk3 n HIS 442 Cb 0.06 -0.55 -0.02 0.00 1.12 0.00 0.00 29.99 30.60 2wk3 n HIS 442 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2wk3 n TYR 443 N -1.59 0.00 -3.89 4.41 4.02 0.08 -5.05 117.16 115.13 2wk3 n TYR 443 Ca 0.07 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.84 2wk3 n TYR 443 Cb 0.34 -0.03 -0.12 0.00 -0.02 0.00 0.00 39.34 39.51 2wk3 n TYR 443 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2wk3 s TYR 444 N -1.78 0.04 0.42 -0.72 2.02 -1.10 -5.12 117.35 111.11 2wk3 s TYR 444 Ca -0.00 -0.08 -0.24 0.00 -0.37 0.00 0.00 57.07 56.38 2wk3 s TYR 444 Cb 0.02 -0.05 -0.11 0.00 -0.40 0.00 0.00 41.96 41.42 2wk3 s TYR 444 CO 0.09 -0.11 1.01 -2.30 -1.57 0.00 0.00 175.55 172.67 2wk3 n PRO 445 N 2.43 1.36 -0.31 -1.71 -0.02 -1.26 -4.75 135.00 130.73 2wk3 n PRO 445 Ca -0.17 0.49 0.19 0.00 -2.02 0.00 0.00 63.50 61.99 2wk3 n PRO 445 Cb 0.58 -2.04 0.37 0.00 -0.02 0.00 0.00 33.50 32.39 2wk3 n PRO 445 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wk3 n LEU 446 N 0.52 0.05 0.17 2.45 4.32 -1.26 -0.68 117.00 122.56 2wk3 n LEU 446 Ca 0.09 1.56 0.13 0.00 -0.02 0.00 0.00 56.01 57.78 2wk3 n LEU 446 Cb 0.39 -0.64 0.51 0.00 -1.62 0.00 0.00 43.42 42.07 2wk3 n LEU 446 CO 0.57 -1.64 0.89 -0.33 -1.22 0.00 0.00 177.39 175.66 2wk3 h GLU 447 N 0.00 0.00 -0.09 3.23 3.07 -1.88 -3.20 114.58 115.71 2wk3 h GLU 447 Ca 0.64 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.50 2wk3 h GLU 447 Cb 1.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.39 2wk3 h GLU 447 CO -0.81 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.19 2wk3 n GLU 448 N -2.50 1.85 0.02 2.33 1.02 0.14 -2.46 120.64 121.04 2wk3 n GLU 448 Ca 0.02 -2.67 -0.13 0.00 -0.02 0.00 0.00 57.16 54.36 2wk3 n GLU 448 Cb 0.29 -1.62 -0.14 0.00 -0.02 0.00 0.00 31.44 29.96 2wk3 n GLU 448 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 2wk3 h VAL 449 N 0.62 0.97 0.00 2.62 -1.51 -1.60 -2.20 116.25 115.14 2wk3 h VAL 449 Ca 0.00 -2.72 -0.06 0.00 -1.23 0.00 0.00 66.70 62.69 2wk3 h VAL 449 Cb 1.15 2.58 -0.01 0.00 -2.13 0.00 0.00 31.29 32.88 2wk3 h VAL 449 CO 0.08 0.71 -0.29 -0.07 -1.23 0.00 0.00 177.57 176.77 2wk3 h LEU 450 N 0.03 0.00 0.00 4.19 4.07 -1.86 -3.33 115.31 118.42 2wk3 h LEU 450 Ca -0.28 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.48 2wk3 h LEU 450 Cb 2.00 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 43.70 2wk3 h LEU 450 CO 0.11 0.29 -2.10 0.35 -1.08 0.00 0.00 178.44 176.01 2wk3 n THR 451 N -3.61 0.87 -0.17 0.22 -2.24 -1.21 -4.56 114.28 103.59 2wk3 n THR 451 Ca -0.01 -0.71 0.14 0.00 -2.27 0.00 0.00 64.05 61.21 2wk3 n THR 451 Cb 0.42 -0.34 0.48 0.00 -2.10 0.00 0.00 70.33 68.79 2wk3 n THR 451 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wk3 h ALA 452 N 1.42 2.05 -0.48 6.98 0.00 -1.51 0.15 119.26 127.87 2wk3 h ALA 452 Ca -0.30 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2wk3 h ALA 452 Cb 1.71 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 2wk3 h ALA 452 CO 0.02 -0.24 0.00 0.39 0.00 0.00 0.00 179.25 179.42 2wk3 n GLU 453 N -4.49 4.26 0.00 0.00 1.02 -1.26 -4.18 120.64 115.99 2wk3 n GLU 453 Ca 0.14 -2.64 0.00 0.00 -0.02 0.00 0.00 57.16 54.64 2wk3 n GLU 453 Cb 0.49 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 2wk3 n GLU 453 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2wk3 n TYR 454 N 0.51 0.00 -3.37 -0.32 4.01 -0.38 -5.09 117.16 112.53 2wk3 n TYR 454 Ca 0.23 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.67 2wk3 n TYR 454 Cb 1.05 0.18 -0.04 0.00 -0.31 0.00 0.00 39.34 40.22 2wk3 n TYR 454 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2wk3 s LEU 455 N -4.69 4.10 -0.02 7.72 1.43 0.40 -4.76 118.68 122.86 2wk3 s LEU 455 Ca 0.00 0.80 -0.03 0.00 -1.03 0.00 0.00 54.13 53.87 2wk3 s LEU 455 Cb 0.00 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.63 2wk3 s LEU 455 CO 0.00 -0.14 0.07 -0.22 0.23 0.00 0.00 176.35 176.29 2wk3 s LEU 456 N -3.24 1.73 0.06 1.79 2.96 -1.26 -4.83 118.68 115.89 2wk3 s LEU 456 Ca 0.45 0.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.45 2wk3 s LEU 456 Cb -0.11 0.27 0.00 0.00 0.50 0.00 0.00 46.19 46.85 2wk3 s LEU 456 CO 0.27 -0.06 0.00 -0.62 -1.32 0.00 0.00 176.35 174.61 2wk3 n GLU 457 N 2.86 0.00 -4.64 1.98 -0.58 0.97 -4.92 120.64 116.31 2wk3 n GLU 457 Ca -0.14 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.27 2wk3 n GLU 457 Cb 0.59 -0.06 -0.13 0.00 -0.57 0.00 0.00 31.44 31.27 2wk3 n GLU 457 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2wk3 s GLU 458 N -1.28 3.16 0.10 3.49 0.41 -1.21 -5.01 118.70 118.37 2wk3 s GLU 458 Ca 0.00 -0.60 -0.31 0.00 -0.41 0.00 0.00 54.97 53.65 2wk3 s GLU 458 Cb 0.00 -2.67 -0.08 0.00 -1.78 0.00 0.00 34.13 29.61 2wk3 s GLU 458 CO 0.00 0.41 1.38 0.12 -0.49 0.00 0.00 175.26 176.68 2wk3 s PHE 459 N -0.14 3.23 -0.55 1.61 5.36 -1.26 -4.11 117.98 122.12 2wk3 s PHE 459 Ca 0.01 0.96 0.04 0.00 -0.96 0.00 0.00 56.93 56.99 2wk3 s PHE 459 Cb -0.13 -3.66 0.17 0.00 -0.34 0.00 0.00 43.02 39.05 2wk3 s PHE 459 CO 0.03 -2.32 0.41 1.03 -1.46 0.00 0.00 175.22 172.91 2wk3 s ARG 460 N 1.19 1.67 0.47 10.12 1.81 -1.26 -4.93 118.95 128.02 2wk3 s ARG 460 Ca 0.64 -2.70 0.27 0.00 -1.72 0.00 0.00 55.73 52.22 2wk3 s ARG 460 Cb -0.36 -2.41 1.32 0.00 -0.45 0.00 0.00 34.95 33.05 2wk3 s ARG 460 CO 0.30 -1.33 1.80 -1.35 -0.68 0.00 0.00 175.30 174.03 2wk3 h PRO 461 N 5.56 0.19 -0.18 3.54 0.11 -1.97 -1.51 132.00 137.73 2wk3 h PRO 461 Ca 0.20 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.14 2wk3 h PRO 461 Cb 0.83 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 2wk3 h PRO 461 CO 0.54 0.13 -0.55 0.38 -0.21 0.00 0.00 178.00 178.29 2wk3 h ASP 462 N 0.20 0.60 0.55 -2.05 2.03 -2.00 -2.10 116.42 113.65 2wk3 h ASP 462 Ca 0.56 -0.32 -0.18 0.00 -0.73 0.00 0.00 57.03 56.36 2wk3 h ASP 462 Cb 1.82 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 40.13 2wk3 h ASP 462 CO -0.15 1.03 -0.80 -0.07 -1.03 0.00 0.00 179.24 178.21 2wk3 h LEU 463 N 0.41 0.23 -1.09 0.15 3.38 -1.71 -2.10 115.31 114.58 2wk3 h LEU 463 Ca 0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 2wk3 h LEU 463 Cb 1.09 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 2wk3 h LEU 463 CO 0.10 0.94 0.33 0.40 0.09 0.00 0.00 178.44 180.30 2wk3 h ILE 464 N 0.11 1.22 0.00 1.22 2.04 -1.26 -1.01 117.51 119.84 2wk3 h ILE 464 Ca -0.03 -0.61 -0.19 0.00 1.00 0.00 0.00 64.86 65.03 2wk3 h ILE 464 Cb 1.40 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 2wk3 h ILE 464 CO 0.12 0.26 -0.89 -0.33 0.00 0.00 0.00 178.15 177.31 2wk3 h GLU 465 N 0.97 0.00 -0.57 2.37 5.08 -1.00 -1.74 114.58 119.70 2wk3 h GLU 465 Ca 0.24 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.51 2wk3 h GLU 465 Cb 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2wk3 h GLU 465 CO -0.03 0.89 -0.01 0.00 -1.00 0.00 0.00 179.01 178.86 2wk3 h MET 466 N 0.00 1.00 -0.07 2.33 -0.00 -0.96 -0.69 114.93 116.55 2wk3 h MET 466 Ca -0.01 -0.32 -0.02 0.00 -0.00 0.00 0.00 59.70 59.35 2wk3 h MET 466 Cb 1.58 -0.09 -0.00 0.00 -0.00 0.00 0.00 31.60 33.08 2wk3 h MET 466 CO 0.12 1.00 -0.03 0.28 -0.00 0.00 0.00 176.91 178.28 2wk3 h VAL 467 N 0.89 1.32 -0.56 -0.10 2.07 -1.05 -3.14 116.25 115.68 2wk3 h VAL 467 Ca 0.16 -1.03 0.09 0.00 0.82 0.00 0.00 66.70 66.74 2wk3 h VAL 467 Cb 0.55 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 2wk3 h VAL 467 CO 0.03 0.28 0.38 0.25 0.02 0.00 0.00 177.57 178.53 2wk3 h LEU 468 N -0.23 0.33 0.00 2.57 5.85 -1.23 0.36 115.31 122.96 2wk3 h LEU 468 Ca 0.02 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2wk3 h LEU 468 Cb 0.47 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2wk3 h LEU 468 CO 0.01 0.20 0.00 -0.67 -0.34 0.00 0.00 178.44 177.64 2wk3 n ASP 469 N -4.47 0.00 -0.01 1.25 2.03 -0.27 -1.46 116.55 113.62 2wk3 n ASP 469 Ca 0.09 0.50 0.13 0.00 0.52 0.00 0.00 54.79 56.02 2wk3 n ASP 469 Cb 0.37 -0.50 0.34 0.00 -0.72 0.00 0.00 41.12 40.61 2wk3 n ASP 469 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2wk3 n LYS 470 N -1.50 0.03 -2.69 -0.67 4.76 0.12 -4.64 118.16 113.58 2wk3 n LYS 470 Ca 0.06 -0.02 -0.43 0.00 -2.87 0.00 0.00 58.31 55.05 2wk3 n LYS 470 Cb 0.27 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 31.97 2wk3 n LYS 470 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2wk3 n LEU 471 N -1.47 6.47 -4.12 -0.35 4.77 -0.54 -4.81 117.00 116.95 2wk3 n LEU 471 Ca 0.06 -4.91 -0.13 0.00 -0.03 0.00 0.00 56.01 51.01 2wk3 n LEU 471 Cb 0.34 -1.39 -0.11 0.00 -2.33 0.00 0.00 43.42 39.92 2wk3 n LEU 471 CO 0.33 1.50 -0.40 -0.13 -1.33 0.00 0.00 177.39 177.35 2wk3 s ARG 472 N -1.05 0.70 0.40 3.23 0.52 -1.26 -5.03 118.95 116.45 2wk3 s ARG 472 Ca 0.36 -1.02 0.12 0.00 -0.52 0.00 0.00 55.73 54.67 2wk3 s ARG 472 Cb 0.06 -0.34 0.95 0.00 0.52 0.00 0.00 34.95 36.14 2wk3 s ARG 472 CO 0.05 0.04 1.92 -1.35 0.02 0.00 0.00 175.30 175.98 2wk3 h PRO 473 N 3.85 0.51 0.00 3.54 0.11 -1.91 0.30 132.00 138.40 2wk3 h PRO 473 Ca -0.36 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2wk3 h PRO 473 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2wk3 h PRO 473 CO 0.50 0.34 0.00 -0.85 -0.21 0.00 0.00 178.00 177.78 2wk3 n GLU 474 N -4.50 0.02 -0.25 1.05 0.00 -1.26 -2.51 120.64 113.19 2wk3 n GLU 474 Ca 0.14 0.31 0.07 0.00 0.00 0.00 0.00 57.16 57.67 2wk3 n GLU 474 Cb 0.45 -1.54 0.19 0.00 0.00 0.00 0.00 31.44 30.53 2wk3 n GLU 474 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2wk3 n ASN 475 N -1.58 3.22 -4.79 -1.84 5.15 0.10 -4.44 115.26 111.09 2wk3 n ASN 475 Ca 0.03 -2.19 -0.31 0.00 -0.60 0.00 0.00 54.58 51.51 2wk3 n ASN 475 Cb 0.15 -0.31 -0.06 0.00 -0.53 0.00 0.00 39.78 39.02 2wk3 n ASN 475 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2wk3 s VAL 476 N -1.34 4.66 -0.07 3.44 0.11 -1.05 -4.26 120.40 121.90 2wk3 s VAL 476 Ca 0.29 -0.61 0.04 0.00 -2.93 0.00 0.00 61.98 58.77 2wk3 s VAL 476 Cb 0.17 -3.21 0.00 0.00 -1.53 0.00 0.00 36.38 31.82 2wk3 s VAL 476 CO 0.16 0.21 -0.19 -0.13 -3.33 0.00 0.00 175.10 171.82 2wk3 s ARG 477 N -2.16 2.29 -0.08 1.54 0.52 -0.52 0.99 118.95 121.53 2wk3 s ARG 477 Ca 0.27 -0.66 0.04 0.00 -0.52 0.00 0.00 55.73 54.86 2wk3 s ARG 477 Cb -0.12 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.52 2wk3 s ARG 477 CO 0.19 0.15 -0.20 0.08 0.02 0.00 0.00 175.30 175.55 2wk3 s VAL 478 N 0.36 1.73 -0.02 3.52 1.01 0.60 -1.66 120.40 125.94 2wk3 s VAL 478 Ca -0.13 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.05 2wk3 s VAL 478 Cb -0.16 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 2wk3 s VAL 478 CO 0.05 0.49 -0.15 0.00 0.00 0.00 0.00 175.10 175.49 2wk3 s ALA 479 N 0.33 1.29 -0.08 5.51 0.00 0.51 -0.14 121.76 129.18 2wk3 s ALA 479 Ca -0.14 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.21 2wk3 s ALA 479 Cb -0.16 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.61 2wk3 s ALA 479 CO 0.06 0.29 -0.18 0.42 0.00 0.00 0.00 175.76 176.36 2wk3 s ILE 480 N -0.24 1.55 -0.17 0.00 1.01 -0.13 0.27 121.20 123.50 2wk3 s ILE 480 Ca 0.03 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.97 2wk3 s ILE 480 Cb -0.07 -1.37 0.01 0.00 0.01 0.00 0.00 42.46 41.04 2wk3 s ILE 480 CO -0.00 0.45 -0.20 -0.69 0.00 0.00 0.00 174.94 174.50 2wk3 s VAL 481 N 0.49 2.17 -0.28 2.92 1.01 0.49 -1.09 120.40 126.11 2wk3 s VAL 481 Ca -0.16 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 60.65 2wk3 s VAL 481 Cb -0.17 -1.90 0.12 0.00 0.00 0.00 0.00 36.38 34.44 2wk3 s VAL 481 CO 0.06 0.54 1.04 -0.55 0.00 0.00 0.00 175.10 176.18 2wk3 s SER 482 N 1.11 -0.45 0.62 3.32 0.15 -0.79 -1.43 113.70 116.24 2wk3 s SER 482 Ca 0.00 0.86 0.33 0.00 0.70 0.00 0.00 55.95 57.84 2wk3 s SER 482 Cb -0.14 0.87 1.84 0.00 -1.71 0.00 0.00 66.02 66.88 2wk3 s SER 482 CO -0.08 -0.15 2.13 0.11 1.20 0.00 0.00 173.24 176.45 2wk3 h LYS 483 N 4.19 0.00 0.00 5.44 1.79 -1.85 -1.95 116.57 124.19 2wk3 h LYS 483 Ca -0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 2wk3 h LYS 483 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2wk3 h LYS 483 CO 0.11 0.00 0.00 -1.13 -1.08 0.00 0.00 179.45 177.35 2wk3 n SER 484 N -3.43 0.00 -0.71 0.86 3.41 -1.26 -0.98 113.62 111.51 2wk3 n SER 484 Ca -0.00 -0.25 0.10 0.00 -0.26 0.00 0.00 58.87 58.46 2wk3 n SER 484 Cb 0.28 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.28 2wk3 n SER 484 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2wk3 n PHE 485 N -0.92 0.00 -1.66 7.33 0.99 -0.73 -4.88 117.46 117.58 2wk3 n PHE 485 Ca 0.04 0.00 -0.55 0.00 -0.00 0.00 0.00 57.45 56.95 2wk3 n PHE 485 Cb 0.02 0.00 -0.07 0.00 -1.00 0.00 0.00 39.48 38.43 2wk3 n PHE 485 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 2wk3 n GLU 486 N 0.77 1.36 -0.20 -1.08 2.13 -0.15 0.04 120.64 123.50 2wk3 n GLU 486 Ca 0.11 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.41 2wk3 n GLU 486 Cb 0.49 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 29.93 2wk3 n GLU 486 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wk3 n GLY 487 N 4.63 1.22 0.53 8.31 0.00 -1.26 -4.89 105.19 113.72 2wk3 n GLY 487 Ca 0.28 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.39 2wk3 n GLY 487 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wk3 n LYS 488 N -2.00 2.26 -4.17 1.61 5.02 0.11 -5.01 118.16 115.97 2wk3 n LYS 488 Ca 0.00 -2.67 -0.24 0.00 -2.02 0.00 0.00 58.31 53.37 2wk3 n LYS 488 Cb 0.00 -1.66 -0.06 0.00 -0.02 0.00 0.00 35.03 33.29 2wk3 n LYS 488 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wk3 s THR 489 N -2.73 4.02 0.00 -0.18 -4.23 -1.23 -4.87 115.64 106.42 2wk3 s THR 489 Ca 0.36 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 2wk3 s THR 489 Cb 0.30 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 71.04 2wk3 s THR 489 CO 0.06 -0.23 0.40 -0.90 -0.54 0.00 0.00 174.62 173.41 2wk3 n ASP 490 N -0.62 0.52 -4.21 3.99 5.75 -1.04 -4.93 116.55 116.01 2wk3 n ASP 490 Ca -0.08 -1.16 -0.17 0.00 -0.01 0.00 0.00 54.79 53.38 2wk3 n ASP 490 Cb 0.57 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.55 2wk3 n ASP 490 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2wk3 s ARG 491 N -0.16 0.92 -0.08 0.11 0.52 0.30 -5.01 118.95 115.56 2wk3 s ARG 491 Ca 0.00 -1.17 -0.00 0.00 -0.52 0.00 0.00 55.73 54.04 2wk3 s ARG 491 Cb 0.00 -0.74 0.02 0.00 0.52 0.00 0.00 34.95 34.75 2wk3 s ARG 491 CO 0.00 0.14 -0.04 0.99 0.02 0.00 0.00 175.30 176.41 2wk3 s THR 492 N -2.14 0.66 0.22 0.02 2.01 -1.26 -0.40 115.64 114.74 2wk3 s THR 492 Ca 0.06 -0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.66 2wk3 s THR 492 Cb -0.05 -0.73 -0.09 0.00 0.01 0.00 0.00 72.50 71.64 2wk3 s THR 492 CO 0.02 0.29 1.33 -0.70 -0.69 0.00 0.00 174.62 174.87 2wk3 s GLU 493 N 1.57 4.37 0.34 4.92 -6.30 0.09 -4.88 118.70 118.81 2wk3 s GLU 493 Ca 0.00 2.10 0.08 0.00 -2.50 0.00 0.00 54.97 54.65 2wk3 s GLU 493 Cb -0.13 -3.17 0.62 0.00 0.00 0.00 0.00 34.13 31.45 2wk3 s GLU 493 CO -0.04 -0.27 1.81 1.49 0.02 0.00 0.00 175.26 178.27 2wk3 h GLU 494 N 5.19 0.25 0.05 4.30 4.81 -1.95 0.66 114.58 127.89 2wk3 h GLU 494 Ca -0.45 -0.08 -0.36 0.00 -0.13 0.00 0.00 59.36 58.33 2wk3 h GLU 494 Cb 1.22 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.53 2wk3 h GLU 494 CO 0.77 0.50 -2.07 0.91 -0.73 0.00 0.00 179.01 178.39 2wk3 n TRP 495 N -4.16 0.67 0.45 0.92 7.02 -1.26 -4.43 117.44 116.66 2wk3 n TRP 495 Ca -0.01 0.19 0.12 0.00 -1.02 0.00 0.00 57.50 56.78 2wk3 n TRP 495 Cb 0.36 -1.08 0.09 0.00 -2.42 0.00 0.00 31.31 28.27 2wk3 n TRP 495 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 2wk3 n TYR 496 N -3.74 0.59 -1.00 -5.99 4.02 -1.25 -4.99 117.16 104.79 2wk3 n TYR 496 Ca -0.39 0.17 -0.00 0.00 -0.01 0.00 0.00 57.90 57.66 2wk3 n TYR 496 Cb 0.93 -0.68 -0.00 0.00 -0.02 0.00 0.00 39.34 39.57 2wk3 n TYR 496 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wk3 n GLY 497 N 1.31 0.47 3.66 2.72 0.00 0.22 -4.93 105.19 108.64 2wk3 n GLY 497 Ca 0.02 -0.12 -0.47 0.00 0.00 0.00 0.00 46.02 45.45 2wk3 n GLY 497 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wk3 n THR 498 N -2.94 0.08 -3.22 2.61 -1.04 -1.24 -4.57 114.28 103.97 2wk3 n THR 498 Ca -0.00 -0.01 -0.39 0.00 -2.04 0.00 0.00 64.05 61.61 2wk3 n THR 498 Cb 0.03 -1.51 -0.06 0.00 -1.82 0.00 0.00 70.33 66.98 2wk3 n THR 498 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2wk3 s GLN 499 N 1.31 4.29 0.32 -2.82 -1.52 -1.26 -0.73 119.66 119.26 2wk3 s GLN 499 Ca 0.81 0.54 -0.14 0.00 -1.95 0.00 0.00 55.36 54.62 2wk3 s GLN 499 Cb -0.71 -3.50 0.03 0.00 -0.22 0.00 0.00 33.01 28.61 2wk3 s GLN 499 CO 0.41 -0.01 0.66 1.52 -0.25 0.00 0.00 175.29 177.62 2wk3 s TYR 500 N 1.16 0.23 0.03 0.91 1.13 0.46 -1.74 117.35 119.53 2wk3 s TYR 500 Ca 0.28 -0.72 0.04 0.00 -1.41 0.00 0.00 57.07 55.26 2wk3 s TYR 500 Cb -0.16 0.54 -0.02 0.00 -1.10 0.00 0.00 41.96 41.22 2wk3 s TYR 500 CO 0.11 -1.31 -0.12 0.21 -2.51 0.00 0.00 175.55 171.94 2wk3 s LYS 501 N -3.18 0.79 -0.07 -3.49 2.20 0.16 -0.54 119.74 115.62 2wk3 s LYS 501 Ca 0.18 -0.67 0.04 0.00 -0.36 0.00 0.00 55.97 55.16 2wk3 s LYS 501 Cb -0.04 -0.75 0.00 0.00 -1.51 0.00 0.00 37.83 35.53 2wk3 s LYS 501 CO 0.11 0.18 -0.19 -1.14 -0.36 0.00 0.00 175.35 173.96 2wk3 s GLN 502 N -1.06 2.23 0.03 4.03 0.74 -1.26 -1.05 119.66 123.32 2wk3 s GLN 502 Ca -0.00 -0.68 0.01 0.00 0.05 0.00 0.00 55.36 54.74 2wk3 s GLN 502 Cb -0.07 -1.81 -0.02 0.00 1.10 0.00 0.00 33.01 32.20 2wk3 s GLN 502 CO 0.01 0.19 -0.04 -1.21 -0.55 0.00 0.00 175.29 173.68 2wk3 s GLU 503 N 0.26 0.36 0.30 1.67 2.02 0.69 -4.99 118.70 119.02 2wk3 s GLU 503 Ca -0.11 -0.62 -0.29 0.00 0.02 0.00 0.00 54.97 53.96 2wk3 s GLU 503 Cb -0.15 -0.01 -0.10 0.00 0.10 0.00 0.00 34.13 33.97 2wk3 s GLU 503 CO 0.05 -0.02 1.25 0.00 0.02 0.00 0.00 175.26 176.56 2wk3 s ALA 504 N -1.37 3.48 0.03 5.21 0.00 -1.26 -0.19 121.76 127.66 2wk3 s ALA 504 Ca -0.14 1.15 -0.30 0.00 0.00 0.00 0.00 51.96 52.67 2wk3 s ALA 504 Cb -0.10 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 2wk3 s ALA 504 CO -0.01 -0.50 1.20 0.42 0.00 0.00 0.00 175.76 176.87 2wk3 s ILE 505 N -1.01 4.10 0.59 0.00 1.01 -0.17 -4.79 121.20 120.93 2wk3 s ILE 505 Ca 0.49 1.49 -0.19 0.00 0.00 0.00 0.00 60.65 62.44 2wk3 s ILE 505 Cb -0.37 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 2wk3 s ILE 505 CO 0.48 0.08 1.18 -2.16 0.00 0.00 0.00 174.94 174.53 2wk3 s PRO 506 N 1.39 3.03 0.46 2.79 0.04 -1.26 -4.82 135.00 136.63 2wk3 s PRO 506 Ca 0.58 1.75 0.15 0.00 0.04 0.00 0.00 61.00 63.53 2wk3 s PRO 506 Cb -0.28 -1.95 1.12 0.00 0.04 0.00 0.00 34.50 33.43 2wk3 s PRO 506 CO 0.27 -1.14 2.02 -0.44 0.04 0.00 0.00 177.00 177.76 2wk3 h ASP 507 N 0.88 0.25 0.33 6.66 3.32 -2.00 0.38 116.42 126.25 2wk3 h ASP 507 Ca -0.50 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.50 2wk3 h ASP 507 Cb 1.29 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 2wk3 h ASP 507 CO 0.55 0.16 -0.23 -0.33 -1.72 0.00 0.00 179.24 177.67 2wk3 h GLU 508 N 0.28 0.00 0.07 3.56 3.07 -1.99 0.94 114.58 120.52 2wk3 h GLU 508 Ca 0.21 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.93 2wk3 h GLU 508 Cb 0.45 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.37 2wk3 h GLU 508 CO -0.04 0.23 -0.56 0.28 -1.40 0.00 0.00 179.01 177.52 2wk3 h VAL 509 N 0.00 1.54 -0.33 3.13 2.07 -0.60 -0.55 116.25 121.51 2wk3 h VAL 509 Ca -0.00 -2.31 0.04 0.00 0.82 0.00 0.00 66.70 65.25 2wk3 h VAL 509 Cb 0.47 3.02 -0.04 0.00 -1.52 0.00 0.00 31.29 33.22 2wk3 h VAL 509 CO 0.03 0.65 0.12 0.40 0.02 0.00 0.00 177.57 178.78 2wk3 h ILE 510 N -0.41 0.91 -0.43 4.57 1.08 -1.29 -1.27 117.51 120.67 2wk3 h ILE 510 Ca -0.09 -0.09 0.01 0.00 -0.39 0.00 0.00 64.86 64.30 2wk3 h ILE 510 Cb 1.38 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 35.73 2wk3 h ILE 510 CO 0.11 0.05 0.27 0.11 -0.69 0.00 0.00 178.15 178.00 2wk3 h LYS 511 N 0.26 0.54 -0.11 2.37 6.56 -0.79 0.86 116.57 126.26 2wk3 h LYS 511 Ca 0.15 -0.03 -0.05 0.00 -1.06 0.00 0.00 60.65 59.66 2wk3 h LYS 511 Cb 0.12 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 2wk3 h LYS 511 CO -0.15 0.36 -0.15 1.57 -2.06 0.00 0.00 179.45 179.02 2wk3 h LYS 512 N 0.56 0.17 -0.52 3.15 5.09 -0.67 -2.24 116.57 122.11 2wk3 h LYS 512 Ca 0.17 -0.04 -0.12 0.00 0.09 0.00 0.00 60.65 60.75 2wk3 h LYS 512 Cb -0.03 -0.02 -0.02 0.00 0.10 0.00 0.00 32.23 32.26 2wk3 h LYS 512 CO -0.05 0.33 -0.13 -1.49 -2.09 0.00 0.00 179.45 176.01 2wk3 h TRP 513 N 0.16 1.13 -0.04 0.07 6.55 -0.28 -2.95 115.95 120.59 2wk3 h TRP 513 Ca 0.03 -0.24 0.01 0.00 0.95 0.00 0.00 58.89 59.64 2wk3 h TRP 513 Cb 0.37 -0.27 -0.00 0.00 -0.86 0.00 0.00 29.16 28.39 2wk3 h TRP 513 CO 0.00 1.06 0.04 1.96 -1.05 0.00 0.00 178.44 180.46 2wk3 h GLN 514 N 0.87 0.00 -0.58 0.49 4.20 -0.30 -2.73 115.11 117.07 2wk3 h GLN 514 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2wk3 h GLN 514 Cb 0.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 2wk3 h GLN 514 CO 0.05 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.30 2wk3 n ASN 515 N -3.89 3.14 -4.50 1.46 3.02 -0.94 -4.94 115.26 108.62 2wk3 n ASN 515 Ca -0.02 -2.23 -0.52 0.00 -0.03 0.00 0.00 54.58 51.78 2wk3 n ASN 515 Cb 0.13 -0.44 -0.07 0.00 -0.61 0.00 0.00 39.78 38.80 2wk3 n ASN 515 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wk3 n ALA 516 N 0.72 0.79 -1.62 5.41 0.00 -1.03 -4.94 120.51 119.84 2wk3 n ALA 516 Ca 0.17 0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.53 2wk3 n ALA 516 Cb 0.58 -2.46 0.13 0.00 0.00 0.00 0.00 19.45 17.70 2wk3 n ALA 516 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wk3 n ASP 517 N 8.66 0.09 -4.88 0.00 9.92 -1.26 -4.88 116.55 124.19 2wk3 n ASP 517 Ca 0.38 -1.32 -0.30 0.00 -0.53 0.00 0.00 54.79 53.02 2wk3 n ASP 517 Cb 0.20 -0.65 -0.03 0.00 -0.64 0.00 0.00 41.12 40.00 2wk3 n ASP 517 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2wk3 s LEU 518 N 0.00 3.92 -0.18 0.64 1.43 -1.26 -4.71 118.68 118.51 2wk3 s LEU 518 Ca 0.48 1.02 0.01 0.00 -1.03 0.00 0.00 54.13 54.61 2wk3 s LEU 518 Cb -0.01 -3.88 0.03 0.00 0.03 0.00 0.00 46.19 42.36 2wk3 s LEU 518 CO 0.34 -0.32 -0.13 0.21 0.23 0.00 0.00 176.35 176.67 2wk3 s ASN 519 N -3.08 3.20 0.00 2.29 3.84 -1.26 -5.00 114.94 114.93 2wk3 s ASN 519 Ca 0.49 -0.76 0.00 0.00 0.21 0.00 0.00 52.86 52.80 2wk3 s ASN 519 Cb -0.10 -1.28 0.00 0.00 -0.55 0.00 0.00 41.25 39.32 2wk3 s ASN 519 CO 0.30 -0.10 0.69 0.61 -2.79 0.00 0.00 177.10 175.81 2wk3 n GLY 520 N 4.68 -0.22 0.05 1.21 0.00 -1.26 -1.37 105.19 108.28 2wk3 n GLY 520 Ca -0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.99 2wk3 n GLY 520 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wk3 n LYS 521 N -1.19 0.22 -3.75 1.61 4.76 -1.26 -4.75 118.16 113.79 2wk3 n LYS 521 Ca 0.00 -0.10 -0.37 0.00 -2.87 0.00 0.00 58.31 54.98 2wk3 n LYS 521 Cb 0.02 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 31.60 2wk3 n LYS 521 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2wk3 s PHE 522 N -2.84 3.15 0.14 2.13 2.99 -0.47 -4.49 117.98 118.58 2wk3 s PHE 522 Ca 0.17 -0.20 0.04 0.00 0.00 0.00 0.00 56.93 56.94 2wk3 s PHE 522 Cb 0.19 -2.25 -0.04 0.00 0.00 0.00 0.00 43.02 40.91 2wk3 s PHE 522 CO 0.60 -0.22 -0.09 0.15 -0.00 0.00 0.00 175.22 175.65 2wk3 s LYS 523 N 1.46 1.03 0.69 0.44 1.02 -0.91 -4.92 119.74 118.54 2wk3 s LYS 523 Ca 0.06 -1.44 -0.11 0.00 0.02 0.00 0.00 55.97 54.50 2wk3 s LYS 523 Cb -0.15 -0.52 0.00 0.00 -0.52 0.00 0.00 37.83 36.64 2wk3 s LYS 523 CO 0.05 0.04 1.06 -0.51 -0.92 0.00 0.00 175.35 175.07 2wk3 s LEU 524 N -3.15 3.07 0.70 3.17 1.02 -1.26 -4.24 118.68 117.99 2wk3 s LEU 524 Ca 0.16 1.46 -0.16 0.00 0.02 0.00 0.00 54.13 55.61 2wk3 s LEU 524 Cb 0.03 -4.35 0.01 0.00 0.02 0.00 0.00 46.19 41.90 2wk3 s LEU 524 CO -0.00 -1.32 1.13 -2.65 0.02 0.00 0.00 176.35 173.53 2wk3 n PRO 525 N -3.04 0.70 -1.87 1.29 -0.02 -1.26 -4.91 135.00 125.89 2wk3 n PRO 525 Ca 0.07 0.30 -0.29 0.00 -2.02 0.00 0.00 63.50 61.56 2wk3 n PRO 525 Cb 0.54 -2.37 0.10 0.00 -0.02 0.00 0.00 33.50 31.75 2wk3 n PRO 525 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2wk3 s THR 526 N -1.69 2.00 0.31 3.45 -4.23 -1.26 -4.99 115.64 109.23 2wk3 s THR 526 Ca 0.77 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.99 2wk3 s THR 526 Cb -0.35 -2.98 -0.12 0.00 1.34 0.00 0.00 72.50 70.39 2wk3 s THR 526 CO 0.46 0.00 1.53 1.17 -0.54 0.00 0.00 174.62 177.24 2wk3 n LYS 527 N -3.39 2.58 -2.45 3.99 3.00 -1.26 -4.90 118.16 115.73 2wk3 n LYS 527 Ca 0.08 0.91 -0.43 0.00 -0.00 0.00 0.00 58.31 58.88 2wk3 n LYS 527 Cb 0.61 -2.66 -0.02 0.00 0.00 0.00 0.00 35.03 32.96 2wk3 n LYS 527 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2wk3 s ASN 528 N 0.28 6.45 0.00 3.14 3.84 -1.26 -4.87 114.94 122.53 2wk3 s ASN 528 Ca 0.62 0.68 0.29 0.00 0.21 0.00 0.00 52.86 54.66 2wk3 s ASN 528 Cb -0.51 -2.54 1.35 0.00 -0.55 0.00 0.00 41.25 38.99 2wk3 s ASN 528 CO 0.53 -1.37 1.92 -0.62 -2.79 0.00 0.00 177.10 174.77 2wk3 n GLU 529 N 8.00 1.04 0.00 0.43 1.02 -1.26 -3.74 120.64 126.13 2wk3 n GLU 529 Ca 0.15 -0.38 0.14 0.00 -0.02 0.00 0.00 57.16 57.05 2wk3 n GLU 529 Cb 0.48 -1.49 0.56 0.00 -0.02 0.00 0.00 31.44 30.97 2wk3 n GLU 529 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2wk3 n PHE 530 N -0.65 0.00 -1.68 -0.32 3.01 -1.26 -4.91 117.46 111.65 2wk3 n PHE 530 Ca 0.18 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 58.17 2wk3 n PHE 530 Cb 0.26 -0.07 -0.04 0.00 -0.01 0.00 0.00 39.48 39.61 2wk3 n PHE 530 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2wk3 n ILE 531 N -0.43 0.37 -2.01 4.37 5.41 -1.25 -4.86 119.36 120.96 2wk3 n ILE 531 Ca 0.17 -0.07 -0.36 0.00 1.00 0.00 0.00 62.75 63.49 2wk3 n ILE 531 Cb 0.31 -1.77 0.03 0.00 -0.71 0.00 0.00 39.64 37.50 2wk3 n ILE 531 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2wk3 s PRO 532 N 2.90 3.02 0.00 0.38 0.04 -1.26 -4.92 135.00 135.16 2wk3 s PRO 532 Ca 0.87 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.77 2wk3 s PRO 532 Cb -0.67 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 31.89 2wk3 s PRO 532 CO 0.46 -1.18 0.00 0.25 0.04 0.00 0.00 177.00 176.57 2wk3 n THR 533 N -1.49 0.00 -3.12 1.26 -2.24 -1.26 -5.01 114.28 102.42 2wk3 n THR 533 Ca 0.13 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.47 2wk3 n THR 533 Cb 0.49 0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.74 2wk3 n THR 533 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2wk3 s ASN 534 N 0.00 6.23 -0.28 3.42 2.47 -1.26 -4.90 114.94 120.62 2wk3 s ASN 534 Ca 0.00 -0.88 0.11 0.00 0.42 0.00 0.00 52.86 52.51 2wk3 s ASN 534 Cb 0.00 -2.31 0.58 0.00 -1.45 0.00 0.00 41.25 38.07 2wk3 s ASN 534 CO 0.00 -0.95 1.57 0.49 -3.72 0.00 0.00 177.10 174.50 2wk3 n PHE 535 N 6.33 1.55 -2.68 0.43 3.01 -1.26 -4.43 117.46 120.41 2wk3 n PHE 535 Ca -0.06 -1.33 -0.41 0.00 1.01 0.00 0.00 57.45 56.66 2wk3 n PHE 535 Cb 0.45 -0.53 -0.04 0.00 -0.01 0.00 0.00 39.48 39.35 2wk3 n PHE 535 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 2wk3 s GLU 536 N -3.08 4.69 -0.71 -1.08 -1.05 -1.26 -4.70 118.70 111.50 2wk3 s GLU 536 Ca 0.47 1.52 -0.25 0.00 -0.15 0.00 0.00 54.97 56.57 2wk3 s GLU 536 Cb 0.40 -3.34 0.05 0.00 -0.44 0.00 0.00 34.13 30.80 2wk3 s GLU 536 CO 0.07 0.21 1.12 0.42 0.95 0.00 0.00 175.26 178.03 2wk3 s ILE 537 N -0.17 4.04 0.19 1.83 -1.09 -1.26 -4.89 121.20 119.85 2wk3 s ILE 537 Ca 0.47 -0.03 -0.32 0.00 -2.23 0.00 0.00 60.65 58.55 2wk3 s ILE 537 Cb -0.25 -4.80 -0.16 0.00 -1.58 0.00 0.00 42.46 35.67 2wk3 s ILE 537 CO 0.31 -1.66 1.07 0.18 -1.23 0.00 0.00 174.94 173.61 2wk3 n LEU 538 N 8.50 1.28 -4.74 2.97 4.77 -1.26 -4.91 117.00 123.61 2wk3 n LEU 538 Ca 0.01 1.15 -0.33 0.00 -0.03 0.00 0.00 56.01 56.80 2wk3 n LEU 538 Cb 0.47 -1.20 0.08 0.00 -2.33 0.00 0.00 43.42 40.45 2wk3 n LEU 538 CO 0.67 -1.50 0.76 -2.16 -1.33 0.00 0.00 177.39 173.83 2wk3 s PRO 539 N -0.68 2.26 0.01 3.23 0.04 -1.26 -4.91 135.00 133.68 2wk3 s PRO 539 Ca 0.70 1.55 -0.30 0.00 0.04 0.00 0.00 61.00 62.98 2wk3 s PRO 539 Cb -0.84 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 31.77 2wk3 s PRO 539 CO 0.54 -1.70 1.43 -1.17 0.04 0.00 0.00 177.00 176.15 2wk3 s LEU 540 N -5.28 4.32 0.74 -3.56 2.96 -1.26 -4.96 118.68 111.63 2wk3 s LEU 540 Ca 0.70 2.16 -0.14 0.00 -0.22 0.00 0.00 54.13 56.63 2wk3 s LEU 540 Cb -0.24 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 42.93 2wk3 s LEU 540 CO 0.46 -0.74 1.15 -1.61 -1.32 0.00 0.00 176.35 174.29 2wk3 s GLU 541 N 2.45 2.24 0.15 1.98 2.02 -1.26 -4.95 118.70 121.34 2wk3 s GLU 541 Ca 0.65 1.51 -0.22 0.00 0.02 0.00 0.00 54.97 56.93 2wk3 s GLU 541 Cb -0.32 -1.87 0.04 0.00 0.10 0.00 0.00 34.13 32.08 2wk3 s GLU 541 CO 0.27 -1.70 1.63 1.57 0.02 0.00 0.00 175.26 177.04 2wk3 h LYS 542 N -0.52 -0.23 -2.27 1.61 5.09 -2.06 -2.45 116.57 115.74 2wk3 h LYS 542 Ca -0.46 0.02 -0.69 0.00 0.09 0.00 0.00 60.65 59.61 2wk3 h LYS 542 Cb 1.26 0.05 -0.35 0.00 0.10 0.00 0.00 32.23 33.29 2wk3 h LYS 542 CO 0.50 -0.15 0.11 0.39 -2.09 0.00 0.00 179.45 178.21 2wk3 n GLU 543 N -5.38 4.24 -2.43 0.07 4.71 -1.26 -4.99 120.64 115.59 2wk3 n GLU 543 Ca -0.00 -4.78 -0.38 0.00 -0.01 0.00 0.00 57.16 51.99 2wk3 n GLU 543 Cb 0.30 -2.34 -0.03 0.00 -1.01 0.00 0.00 31.44 28.35 2wk3 n GLU 543 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2wk3 s ALA 544 N -3.87 3.21 0.14 0.62 0.00 -0.93 -5.05 121.76 115.88 2wk3 s ALA 544 Ca 0.45 0.85 0.05 0.00 0.00 0.00 0.00 51.96 53.31 2wk3 s ALA 544 Cb 0.24 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 2wk3 s ALA 544 CO -0.14 -0.31 0.05 0.95 0.00 0.00 0.00 175.76 176.31 2wk3 s THR 545 N -1.43 4.11 0.06 0.00 -4.23 -1.26 -5.02 115.64 107.86 2wk3 s THR 545 Ca 0.54 -1.13 0.15 0.00 -1.18 0.00 0.00 61.69 60.06 2wk3 s THR 545 Cb -0.28 -3.04 0.03 0.00 1.34 0.00 0.00 72.50 70.56 2wk3 s THR 545 CO 0.35 -0.02 1.54 1.55 -0.54 0.00 0.00 174.62 177.51 2wk3 h PRO 546 N 2.89 0.00 -5.80 3.99 0.13 -1.97 -3.43 132.00 127.81 2wk3 h PRO 546 Ca -0.47 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.04 2wk3 h PRO 546 Cb 1.19 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 2wk3 h PRO 546 CO 0.61 0.55 -0.62 0.71 -0.23 0.00 0.00 178.00 179.02 2wk3 s TYR 547 N -3.22 2.49 0.36 1.56 2.02 -1.26 -5.03 117.35 114.27 2wk3 s TYR 547 Ca 0.01 -0.58 -0.27 0.00 -0.37 0.00 0.00 57.07 55.86 2wk3 s TYR 547 Cb 0.10 -1.64 -0.09 0.00 -0.40 0.00 0.00 41.96 39.93 2wk3 s TYR 547 CO 0.74 0.47 1.20 -2.14 -1.57 0.00 0.00 175.55 174.25 2wk3 s PRO 548 N -3.70 4.25 0.12 -1.71 0.02 -1.26 -4.82 135.00 127.91 2wk3 s PRO 548 Ca 0.35 1.95 0.06 0.00 0.02 0.00 0.00 61.00 63.38 2wk3 s PRO 548 Cb 0.06 -2.89 -0.04 0.00 0.02 0.00 0.00 34.50 31.65 2wk3 s PRO 548 CO 0.18 -0.18 -0.03 0.00 -0.33 0.00 0.00 177.00 176.63 2wk3 s ALA 549 N -1.28 3.15 -0.71 -1.55 0.00 -0.28 -4.83 121.76 116.26 2wk3 s ALA 549 Ca 0.52 -1.25 -0.21 0.00 0.00 0.00 0.00 51.96 51.02 2wk3 s ALA 549 Cb -0.34 -1.02 0.09 0.00 0.00 0.00 0.00 23.12 21.85 2wk3 s ALA 549 CO 0.43 0.61 0.98 -1.17 0.00 0.00 0.00 175.76 176.61 2wk3 s LEU 550 N -2.50 4.61 0.00 0.00 2.96 -1.26 -0.52 118.68 121.97 2wk3 s LEU 550 Ca 0.25 -1.26 0.22 0.00 -0.22 0.00 0.00 54.13 53.12 2wk3 s LEU 550 Cb -0.11 -2.40 0.01 0.00 0.50 0.00 0.00 46.19 44.19 2wk3 s LEU 550 CO 0.17 -1.33 1.07 2.30 -1.32 0.00 0.00 176.35 177.23 2wk3 n ILE 551 N 5.81 0.00 -3.76 6.68 -5.35 0.09 -4.84 119.36 117.99 2wk3 n ILE 551 Ca 0.02 -0.30 -0.13 0.00 -0.27 0.00 0.00 62.75 62.06 2wk3 n ILE 551 Cb 0.46 1.28 -0.10 0.00 -1.74 0.00 0.00 39.64 39.53 2wk3 n ILE 551 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2wk3 s LYS 552 N -2.31 0.46 -0.46 6.28 2.20 -1.18 -4.98 119.74 119.75 2wk3 s LYS 552 Ca 0.19 0.34 0.07 0.00 -0.36 0.00 0.00 55.97 56.20 2wk3 s LYS 552 Cb 0.17 0.22 0.25 0.00 -1.51 0.00 0.00 37.83 36.96 2wk3 s LYS 552 CO 0.51 -0.08 0.80 -3.47 -0.36 0.00 0.00 175.35 172.75 2wk3 n ASP 553 N 2.55 -1.95 -4.39 1.43 -0.08 -1.20 -0.14 116.55 112.77 2wk3 n ASP 553 Ca -0.15 -3.17 -0.19 0.00 -1.51 0.00 0.00 54.79 49.77 2wk3 n ASP 553 Cb 0.57 1.12 0.03 0.00 2.34 0.00 0.00 41.12 45.18 2wk3 n ASP 553 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2wk3 n THR 554 N 1.46 0.00 -0.24 5.18 -2.24 -0.09 -4.97 114.28 113.38 2wk3 n THR 554 Ca 0.12 -1.72 -0.08 0.00 -2.27 0.00 0.00 64.05 60.10 2wk3 n THR 554 Cb 0.61 -0.32 0.04 0.00 -2.10 0.00 0.00 70.33 68.56 2wk3 n THR 554 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wk3 h ALA 555 N 0.47 0.90 0.02 6.98 0.00 -2.00 -3.05 119.26 122.58 2wk3 h ALA 555 Ca -0.26 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.17 2wk3 h ALA 555 Cb 1.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2wk3 h ALA 555 CO 0.40 0.66 -0.96 1.98 0.00 0.00 0.00 179.25 181.33 2wk3 h MET 556 N 1.05 0.14 -3.11 0.00 1.85 -1.92 -3.41 114.93 109.53 2wk3 h MET 556 Ca 0.21 -0.18 -0.18 0.00 -0.61 0.00 0.00 59.70 58.93 2wk3 h MET 556 Cb 0.43 0.06 -0.28 0.00 0.43 0.00 0.00 31.60 32.24 2wk3 h MET 556 CO 0.01 0.99 -0.47 -1.54 -0.40 0.00 0.00 176.91 175.51 2wk3 s SER 557 N -6.90 -0.25 -0.22 1.39 1.04 -1.15 -0.83 113.70 106.78 2wk3 s SER 557 Ca -0.02 0.49 -0.13 0.00 0.48 0.00 0.00 55.95 56.77 2wk3 s SER 557 Cb 0.10 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.60 2wk3 s SER 557 CO 0.83 -0.12 0.25 -0.54 0.98 0.00 0.00 173.24 174.64 2wk3 s LYS 558 N 0.67 4.13 -0.18 4.02 1.02 -0.38 -0.91 119.74 128.11 2wk3 s LYS 558 Ca -0.04 -0.07 -0.00 0.00 0.02 0.00 0.00 55.97 55.87 2wk3 s LYS 558 Cb -0.06 -3.52 0.04 0.00 -0.52 0.00 0.00 37.83 33.78 2wk3 s LYS 558 CO -0.04 0.06 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.22 2wk3 s LEU 559 N 1.04 1.89 -0.14 3.17 2.96 0.81 -1.72 118.68 126.68 2wk3 s LEU 559 Ca 0.12 -0.79 -0.10 0.00 -0.22 0.00 0.00 54.13 53.15 2wk3 s LEU 559 Cb -0.14 -1.02 -0.05 0.00 0.50 0.00 0.00 46.19 45.49 2wk3 s LEU 559 CO 0.05 -0.18 0.19 0.26 -1.32 0.00 0.00 176.35 175.35 2wk3 s TRP 560 N 1.55 3.53 -0.01 5.38 0.52 0.90 -0.73 118.94 130.08 2wk3 s TRP 560 Ca -0.01 0.53 0.01 0.00 0.02 0.00 0.00 56.10 56.66 2wk3 s TRP 560 Cb -0.16 -2.11 0.01 0.00 -1.15 0.00 0.00 33.47 30.06 2wk3 s TRP 560 CO -0.08 0.51 -0.04 0.12 0.02 0.00 0.00 176.95 177.48 2wk3 s PHE 561 N -0.37 0.47 -0.10 -1.98 5.36 0.32 -0.42 117.98 121.26 2wk3 s PHE 561 Ca 0.14 -0.09 -0.04 0.00 -0.96 0.00 0.00 56.93 55.98 2wk3 s PHE 561 Cb -0.12 -0.37 0.05 0.00 -0.34 0.00 0.00 43.02 42.24 2wk3 s PHE 561 CO 0.03 -0.06 0.21 0.21 -1.46 0.00 0.00 175.22 174.15 2wk3 s LYS 562 N 0.23 0.13 0.05 10.12 2.20 -0.68 -1.12 119.74 130.67 2wk3 s LYS 562 Ca -0.02 0.54 -0.31 0.00 -0.36 0.00 0.00 55.97 55.82 2wk3 s LYS 562 Cb -0.06 -0.15 -0.05 0.00 -1.51 0.00 0.00 37.83 36.06 2wk3 s LYS 562 CO -0.00 -0.21 1.21 -1.14 -0.36 0.00 0.00 175.35 174.84 2wk3 s GLN 563 N 1.64 4.42 -0.02 4.03 0.74 -1.26 -2.14 119.66 127.07 2wk3 s GLN 563 Ca -0.05 1.77 -0.33 0.00 0.05 0.00 0.00 55.36 56.80 2wk3 s GLN 563 Cb -0.11 -3.38 -0.11 0.00 1.10 0.00 0.00 33.01 30.51 2wk3 s GLN 563 CO -0.07 -0.29 1.86 -3.47 -0.55 0.00 0.00 175.29 172.77 2wk3 n ASP 564 N 4.11 3.58 -0.87 6.67 2.03 0.95 -4.82 116.55 128.19 2wk3 n ASP 564 Ca 0.09 0.97 0.08 0.00 0.52 0.00 0.00 54.79 56.45 2wk3 n ASP 564 Cb 0.46 -1.42 0.23 0.00 -0.72 0.00 0.00 41.12 39.68 2wk3 n ASP 564 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2wk3 n ASP 565 N 6.38 3.67 0.00 1.67 3.85 -1.26 -4.74 116.55 126.11 2wk3 n ASP 565 Ca 0.21 -2.64 0.00 0.00 -0.71 0.00 0.00 54.79 51.65 2wk3 n ASP 565 Cb 0.32 -0.45 0.00 0.00 -1.35 0.00 0.00 41.12 39.64 2wk3 n ASP 565 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2wk3 n LYS 566 N -0.05 1.19 -0.11 0.11 5.02 -1.26 -4.95 118.16 118.10 2wk3 n LYS 566 Ca 0.18 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.31 2wk3 n LYS 566 Cb 0.75 -0.89 -0.10 0.00 -0.02 0.00 0.00 35.03 34.77 2wk3 n LYS 566 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2wk3 n PHE 567 N -2.05 0.00 -3.51 2.13 3.01 -1.26 -5.02 117.46 110.76 2wk3 n PHE 567 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.28 2wk3 n PHE 567 Cb 0.39 -0.84 0.07 0.00 -0.01 0.00 0.00 39.48 39.10 2wk3 n PHE 567 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2wk3 n PHE 568 N -3.27 -2.13 -4.37 1.38 3.01 -1.26 -5.03 117.46 105.79 2wk3 n PHE 568 Ca -0.40 0.91 -0.30 0.00 1.01 0.00 0.00 57.45 58.67 2wk3 n PHE 568 Cb 0.90 -4.89 -0.11 0.00 -0.01 0.00 0.00 39.48 35.37 2wk3 n PHE 568 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2wk3 s LEU 569 N -6.47 2.93 -1.01 4.37 1.43 -1.26 -4.98 118.68 113.69 2wk3 s LEU 569 Ca 0.01 -0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 52.61 2wk3 s LEU 569 Cb -0.01 -1.73 -0.08 0.00 0.03 0.00 0.00 46.19 44.40 2wk3 s LEU 569 CO 0.75 0.21 2.15 -0.81 0.23 0.00 0.00 176.35 178.89 2wk3 n PRO 570 N 1.05 2.16 -3.90 1.29 -0.04 -1.26 -4.62 135.00 129.68 2wk3 n PRO 570 Ca -0.15 -1.83 -0.11 0.00 -0.04 0.00 0.00 63.50 61.38 2wk3 n PRO 570 Cb 0.52 -2.77 -0.10 0.00 -0.04 0.00 0.00 33.50 31.12 2wk3 n PRO 570 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2wk3 s LYS 571 N 3.82 0.46 0.05 0.54 1.02 -1.26 -1.67 119.74 122.70 2wk3 s LYS 571 Ca 0.50 -0.47 -0.03 0.00 0.02 0.00 0.00 55.97 55.99 2wk3 s LYS 571 Cb 0.13 0.19 -0.03 0.00 -0.52 0.00 0.00 37.83 37.60 2wk3 s LYS 571 CO 0.01 -0.11 0.03 0.00 -0.92 0.00 0.00 175.35 174.37 2wk3 s ALA 572 N -1.51 0.22 -0.18 5.17 0.00 0.52 -2.01 121.76 123.98 2wk3 s ALA 572 Ca -0.14 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 50.91 2wk3 s ALA 572 Cb -0.08 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.35 2wk3 s ALA 572 CO 0.01 -0.36 -0.18 -0.80 0.00 0.00 0.00 175.76 174.43 2wk3 s ASN 573 N -2.60 3.35 -0.29 0.00 0.01 0.91 -2.59 114.94 113.74 2wk3 s ASN 573 Ca 0.02 -0.59 -0.02 0.00 -0.71 0.00 0.00 52.86 51.56 2wk3 s ASN 573 Cb 0.04 -1.52 0.04 0.00 0.41 0.00 0.00 41.25 40.22 2wk3 s ASN 573 CO -0.08 0.02 -0.01 -0.76 -1.51 0.00 0.00 177.10 174.76 2wk3 s LEU 574 N 1.19 3.75 -0.10 0.60 1.43 0.46 -1.04 118.68 124.96 2wk3 s LEU 574 Ca 0.02 -1.16 0.03 0.00 -1.03 0.00 0.00 54.13 51.99 2wk3 s LEU 574 Cb -0.14 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 2wk3 s LEU 574 CO -0.08 -0.23 -0.19 0.20 0.23 0.00 0.00 176.35 176.27 2wk3 s ASN 575 N 1.28 3.51 -0.09 2.29 0.01 0.21 -1.31 114.94 120.84 2wk3 s ASN 575 Ca -0.04 -0.44 0.00 0.00 -0.71 0.00 0.00 52.86 51.68 2wk3 s ASN 575 Cb -0.19 -1.39 0.02 0.00 0.41 0.00 0.00 41.25 40.10 2wk3 s ASN 575 CO -0.02 0.18 -0.08 -0.36 -1.51 0.00 0.00 177.10 175.32 2wk3 s PHE 576 N 0.22 1.32 -0.26 2.20 0.40 0.25 -0.26 117.98 121.86 2wk3 s PHE 576 Ca -0.12 -0.57 -0.12 0.00 -0.60 0.00 0.00 56.93 55.52 2wk3 s PHE 576 Cb -0.16 -1.08 -0.05 0.00 0.51 0.00 0.00 43.02 42.24 2wk3 s PHE 576 CO 0.07 -0.39 0.23 -2.00 0.70 0.00 0.00 175.22 173.83 2wk3 s GLU 577 N 1.34 4.01 -0.36 0.44 2.56 0.18 -1.24 118.70 125.64 2wk3 s GLU 577 Ca -0.02 -0.19 -0.10 0.00 0.00 0.00 0.00 54.97 54.65 2wk3 s GLU 577 Cb -0.14 -3.62 0.03 0.00 2.00 0.00 0.00 34.13 32.41 2wk3 s GLU 577 CO -0.04 -0.12 0.18 -0.06 -0.56 0.00 0.00 175.26 174.67 2wk3 s PHE 578 N 1.58 3.24 -0.01 5.30 0.40 -0.23 -0.64 117.98 127.63 2wk3 s PHE 578 Ca 0.10 -1.01 -0.28 0.00 -0.60 0.00 0.00 56.93 55.14 2wk3 s PHE 578 Cb -0.15 -2.41 -0.04 0.00 0.51 0.00 0.00 43.02 40.94 2wk3 s PHE 578 CO 0.09 -0.65 0.88 -0.06 0.70 0.00 0.00 175.22 176.18 2wk3 s PHE 579 N 1.53 3.66 -0.05 0.36 0.40 -0.26 -0.92 117.98 122.70 2wk3 s PHE 579 Ca 0.02 1.56 -0.04 0.00 -0.60 0.00 0.00 56.93 57.86 2wk3 s PHE 579 Cb -0.19 -3.00 0.02 0.00 0.51 0.00 0.00 43.02 40.36 2wk3 s PHE 579 CO 0.06 0.06 0.13 0.45 0.70 0.00 0.00 175.22 176.63 2wk3 s SER 580 N 0.76 -0.13 0.46 1.36 0.15 -0.55 -2.64 113.70 113.11 2wk3 s SER 580 Ca 0.46 0.27 0.31 0.00 0.70 0.00 0.00 55.95 57.70 2wk3 s SER 580 Cb -0.20 0.24 1.62 0.00 -1.71 0.00 0.00 66.02 65.97 2wk3 s SER 580 CO 0.25 -0.08 1.95 1.55 1.20 0.00 0.00 173.24 178.11 2wk3 h PRO 581 N 6.34 0.00 -0.05 5.44 0.13 -1.87 -3.05 132.00 138.94 2wk3 h PRO 581 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2wk3 h PRO 581 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2wk3 h PRO 581 CO 0.43 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.39 2wk3 n PHE 582 N -2.62 0.05 0.18 1.56 3.01 -1.26 -3.14 117.46 115.25 2wk3 n PHE 582 Ca -0.01 -0.02 0.06 0.00 1.01 0.00 0.00 57.45 58.48 2wk3 n PHE 582 Cb 0.09 0.00 0.30 0.00 -0.01 0.00 0.00 39.48 39.86 2wk3 n PHE 582 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wk3 h ALA 583 N 4.28 0.93 0.00 4.37 0.00 -1.84 -3.38 119.26 123.63 2wk3 h ALA 583 Ca 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2wk3 h ALA 583 Cb 0.49 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2wk3 h ALA 583 CO 0.00 0.47 -0.31 0.98 0.00 0.00 0.00 179.25 180.39 2wk3 n TYR 584 N -3.45 0.00 0.01 0.00 4.19 -1.25 -3.43 117.16 113.23 2wk3 n TYR 584 Ca 0.00 -0.01 -0.00 0.00 3.31 0.00 0.00 57.90 61.20 2wk3 n TYR 584 Cb 0.54 0.07 0.29 0.00 0.49 0.00 0.00 39.34 40.73 2wk3 n TYR 584 CO 0.00 0.00 0.00 -0.24 0.91 0.00 0.00 176.86 177.53 2wk3 h VAL 585 N 6.21 1.20 -3.02 2.97 3.04 -1.72 -3.45 116.25 121.49 2wk3 h VAL 585 Ca -0.01 -0.82 -0.08 0.00 -1.01 0.00 0.00 66.70 64.79 2wk3 h VAL 585 Cb 1.25 0.99 -0.16 0.00 -2.01 0.00 0.00 31.29 31.35 2wk3 h VAL 585 CO -0.00 0.28 -0.09 1.51 -1.01 0.00 0.00 177.57 178.25 2wk3 s ASP 586 N -6.75 -0.29 0.19 3.17 -4.77 -1.26 -5.04 116.67 101.92 2wk3 s ASP 586 Ca -0.07 0.00 -0.20 0.00 -3.30 0.00 0.00 52.55 48.98 2wk3 s ASP 586 Cb 0.15 0.43 0.13 0.00 -1.09 0.00 0.00 42.92 42.54 2wk3 s ASP 586 CO 0.77 -0.67 1.39 -2.65 0.70 0.00 0.00 175.17 174.70 2wk3 n PRO 587 N 0.48 -0.27 -0.30 2.11 -0.02 -1.26 0.12 135.00 135.86 2wk3 n PRO 587 Ca -0.18 1.37 0.14 0.00 -2.02 0.00 0.00 63.50 62.81 2wk3 n PRO 587 Cb 0.60 -2.03 0.31 0.00 -0.02 0.00 0.00 33.50 32.36 2wk3 n PRO 587 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2wk3 h LEU 588 N 0.00 0.01 0.00 2.45 5.85 -1.90 0.85 115.31 122.57 2wk3 h LEU 588 Ca 0.26 0.20 -0.24 0.00 0.84 0.00 0.00 57.88 58.94 2wk3 h LEU 588 Cb 0.48 0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 2wk3 h LEU 588 CO -0.87 -0.17 -1.26 0.45 -0.34 0.00 0.00 178.44 176.24 2wk3 h HIS 589 N 0.20 0.01 -0.34 1.25 3.86 -0.65 -2.03 115.15 117.44 2wk3 h HIS 589 Ca 0.57 -0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.61 2wk3 h HIS 589 Cb 1.18 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.65 2wk3 h HIS 589 CO -0.26 1.00 -0.46 1.03 0.86 0.00 0.00 177.93 180.11 2wk3 h SER 590 N 0.00 0.99 -0.47 2.45 0.87 0.09 0.72 113.55 118.20 2wk3 h SER 590 Ca -0.11 -0.48 0.06 0.00 -1.23 0.00 0.00 61.79 60.02 2wk3 h SER 590 Cb 1.86 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 63.52 2wk3 h SER 590 CO 0.11 1.29 0.32 0.78 -0.53 0.00 0.00 176.83 178.79 2wk3 h ASN 591 N 0.72 0.35 0.21 6.23 2.35 -0.65 -2.56 115.58 122.24 2wk3 h ASN 591 Ca 0.04 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.50 2wk3 h ASN 591 Cb 1.06 -0.08 0.03 0.00 0.05 0.00 0.00 38.32 39.38 2wk3 h ASN 591 CO 0.11 0.23 -1.31 0.24 -1.65 0.00 0.00 177.43 175.04 2wk3 h MET 592 N 0.40 0.45 -0.59 0.81 2.86 -0.53 -1.65 114.93 116.69 2wk3 h MET 592 Ca 0.20 -0.77 0.12 0.00 -2.06 0.00 0.00 59.70 57.19 2wk3 h MET 592 Cb 0.30 0.29 -0.11 0.00 0.06 0.00 0.00 31.60 32.14 2wk3 h MET 592 CO -0.05 1.37 -0.09 0.00 1.06 0.00 0.00 176.91 179.20 2wk3 h ALA 593 N 0.12 0.47 0.19 6.32 0.00 -0.84 -0.84 119.26 124.67 2wk3 h ALA 593 Ca -0.24 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2wk3 h ALA 593 Cb 2.00 0.39 0.00 0.00 0.00 0.00 0.00 17.79 20.18 2wk3 h ALA 593 CO 0.23 -0.42 -0.09 -0.92 0.00 0.00 0.00 179.25 178.05 2wk3 h TYR 594 N 0.04 -0.23 -0.71 0.00 3.20 -1.33 -2.22 116.97 115.72 2wk3 h TYR 594 Ca 0.29 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.27 2wk3 h TYR 594 Cb 0.46 0.08 -0.08 0.00 1.54 0.00 0.00 36.73 38.73 2wk3 h TYR 594 CO -0.43 0.06 0.32 -0.07 -1.64 0.00 0.00 178.16 176.40 2wk3 h LEU 595 N -0.52 0.38 0.29 2.82 4.07 -1.14 -1.15 115.31 120.06 2wk3 h LEU 595 Ca -0.03 0.08 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 2wk3 h LEU 595 Cb 0.39 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.16 2wk3 h LEU 595 CO 0.04 0.20 -0.14 0.22 -1.08 0.00 0.00 178.44 177.68 2wk3 h TYR 596 N 0.53 -0.36 -0.90 1.13 3.20 -0.87 0.18 116.97 119.87 2wk3 h TYR 596 Ca 0.37 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.36 2wk3 h TYR 596 Cb 0.45 0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.77 2wk3 h TYR 596 CO -0.13 -0.14 0.58 -0.07 -1.64 0.00 0.00 178.16 176.75 2wk3 h LEU 597 N -0.51 0.70 -0.54 2.82 4.07 -1.11 0.05 115.31 120.80 2wk3 h LEU 597 Ca -0.04 0.04 -0.12 0.00 0.08 0.00 0.00 57.88 57.84 2wk3 h LEU 597 Cb 0.38 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 2wk3 h LEU 597 CO 0.07 0.37 -0.14 -0.33 -1.08 0.00 0.00 178.44 177.32 2wk3 h GLU 598 N 0.75 1.03 -0.32 1.13 4.39 -0.36 -1.27 114.58 119.93 2wk3 h GLU 598 Ca 0.45 -0.40 -0.14 0.00 0.34 0.00 0.00 59.36 59.61 2wk3 h GLU 598 Cb 0.65 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 2wk3 h GLU 598 CO -0.21 1.09 -0.35 -0.07 -1.16 0.00 0.00 179.01 178.30 2wk3 h LEU 599 N 0.91 0.77 0.34 1.33 3.38 0.36 0.86 115.31 123.25 2wk3 h LEU 599 Ca 0.13 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 2wk3 h LEU 599 Cb 0.72 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2wk3 h LEU 599 CO 0.05 1.05 -0.16 0.25 0.09 0.00 0.00 178.44 179.72 2wk3 h LEU 600 N 0.61 -0.39 -1.04 1.67 6.46 -0.93 -0.44 115.31 121.26 2wk3 h LEU 600 Ca 0.06 -0.07 0.10 0.00 -0.12 0.00 0.00 57.88 57.85 2wk3 h LEU 600 Cb 0.89 0.10 -0.08 0.00 -0.73 0.00 0.00 40.66 40.84 2wk3 h LEU 600 CO 0.08 -0.17 0.63 0.11 -0.62 0.00 0.00 178.44 178.47 2wk3 h LYS 601 N -0.59 1.01 -0.59 1.25 1.57 -1.09 0.05 116.57 118.17 2wk3 h LYS 601 Ca -0.05 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 2wk3 h LYS 601 Cb 0.43 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 2wk3 h LYS 601 CO 0.08 0.67 0.12 0.22 -0.57 0.00 0.00 179.45 179.97 2wk3 h ASP 602 N 1.04 0.88 0.90 0.86 1.82 -0.55 -1.92 116.42 119.45 2wk3 h ASP 602 Ca 0.46 -0.18 -0.16 0.00 -0.39 0.00 0.00 57.03 56.77 2wk3 h ASP 602 Cb 0.37 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.12 2wk3 h ASP 602 CO -0.22 0.87 -0.75 -1.28 -1.61 0.00 0.00 179.24 176.25 2wk3 h SER 603 N 0.89 0.00 0.51 2.28 0.87 0.68 -3.03 113.55 115.75 2wk3 h SER 603 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2wk3 h SER 603 Cb 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2wk3 h SER 603 CO 0.00 0.75 -0.36 0.18 -0.53 0.00 0.00 176.83 176.87 2wk3 n LEU 604 N -3.51 0.52 -0.03 2.23 4.77 -0.43 -4.52 117.00 116.03 2wk3 n LEU 604 Ca -0.00 0.02 -0.08 0.00 -0.03 0.00 0.00 56.01 55.92 2wk3 n LEU 604 Cb 0.76 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 2wk3 n LEU 604 CO 0.44 0.12 0.75 -1.13 -1.33 0.00 0.00 177.39 176.24 2wk3 h ASN 605 N 0.25 -0.50 -0.64 -1.43 -0.73 -1.22 0.18 115.58 111.49 2wk3 h ASN 605 Ca 0.00 0.10 0.13 0.00 1.87 0.00 0.00 56.30 58.41 2wk3 h ASN 605 Cb 0.49 0.25 -0.11 0.00 0.27 0.00 0.00 38.32 39.22 2wk3 h ASN 605 CO 0.00 -0.20 0.02 -0.33 -0.37 0.00 0.00 177.43 176.55 2wk3 h GLU 606 N -0.16 0.13 -0.19 6.67 5.08 -1.80 -0.33 114.58 123.98 2wk3 h GLU 606 Ca 0.12 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.31 2wk3 h GLU 606 Cb 0.34 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2wk3 h GLU 606 CO -0.29 0.09 -0.55 -0.92 -1.00 0.00 0.00 179.01 176.33 2wk3 h TYR 607 N 0.13 0.71 0.00 4.33 3.20 -1.64 -3.29 116.97 120.41 2wk3 h TYR 607 Ca 0.34 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2wk3 h TYR 607 Cb 0.55 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.69 2wk3 h TYR 607 CO -0.36 0.99 -0.32 0.00 -1.64 0.00 0.00 178.16 176.83 2wk3 h ALA 608 N 0.96 0.83 -0.17 1.82 0.00 -0.04 -3.32 119.26 119.34 2wk3 h ALA 608 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wk3 h ALA 608 Cb 1.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2wk3 h ALA 608 CO 0.10 0.00 0.11 -0.92 0.00 0.00 0.00 179.25 178.54 2wk3 h TYR 609 N 0.00 0.20 -0.89 0.00 3.20 -1.15 0.28 116.97 118.61 2wk3 h TYR 609 Ca 0.00 0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.06 2wk3 h TYR 609 Cb 0.94 -0.07 -0.11 0.00 1.54 0.00 0.00 36.73 39.04 2wk3 h TYR 609 CO 0.00 0.12 0.45 0.00 -1.64 0.00 0.00 178.16 177.09 2wk3 h ALA 610 N 1.06 1.40 -0.16 1.82 0.00 -1.75 0.95 119.26 122.58 2wk3 h ALA 610 Ca 0.06 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 2wk3 h ALA 610 Cb -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2wk3 h ALA 610 CO -0.02 -0.18 -0.48 0.00 0.00 0.00 0.00 179.25 178.57 2wk3 h ALA 611 N 1.63 0.88 -0.46 0.00 0.00 -1.24 -1.47 119.26 118.59 2wk3 h ALA 611 Ca 0.52 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2wk3 h ALA 611 Cb 0.85 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2wk3 h ALA 611 CO -0.43 0.66 -0.16 1.49 0.00 0.00 0.00 179.25 180.81 2wk3 h GLU 612 N 0.33 0.93 -0.65 0.00 4.81 0.10 -0.05 114.58 120.05 2wk3 h GLU 612 Ca 0.02 -0.38 0.11 0.00 -0.13 0.00 0.00 59.36 58.98 2wk3 h GLU 612 Cb 0.96 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.26 2wk3 h GLU 612 CO 0.08 1.04 0.44 -0.07 -0.73 0.00 0.00 179.01 179.77 2wk3 h LEU 613 N 0.77 0.38 -2.90 1.64 3.38 -0.73 0.19 115.31 118.04 2wk3 h LEU 613 Ca 0.11 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 2wk3 h LEU 613 Cb 0.73 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 2wk3 h LEU 613 CO 0.06 0.22 0.16 0.00 0.09 0.00 0.00 178.44 178.96 2wk3 n ALA 614 N -2.52 3.81 -1.27 1.53 0.00 -0.44 -4.88 120.51 116.75 2wk3 n ALA 614 Ca 0.11 -1.48 -0.05 0.00 0.00 0.00 0.00 53.44 52.03 2wk3 n ALA 614 Cb 0.42 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 2wk3 n ALA 614 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wk3 n GLY 615 N 0.05 0.67 3.03 0.00 0.00 0.66 -4.61 105.19 104.99 2wk3 n GLY 615 Ca 0.26 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 2wk3 n GLY 615 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wk3 s LEU 616 N -1.13 3.50 0.39 0.99 0.20 -0.16 -2.74 118.68 119.72 2wk3 s LEU 616 Ca 0.00 -1.50 0.04 0.00 0.69 0.00 0.00 54.13 53.36 2wk3 s LEU 616 Cb 0.00 -1.48 -0.05 0.00 -0.43 0.00 0.00 46.19 44.23 2wk3 s LEU 616 CO 0.00 -0.24 0.06 -0.94 -0.29 0.00 0.00 176.35 174.94 2wk3 s SER 617 N 1.13 2.98 0.08 3.68 1.04 0.51 -2.86 113.70 120.27 2wk3 s SER 617 Ca -0.04 -1.49 -0.11 0.00 0.48 0.00 0.00 55.95 54.78 2wk3 s SER 617 Cb -0.20 0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.04 2wk3 s SER 617 CO -0.06 -0.70 0.25 -0.72 0.98 0.00 0.00 173.24 172.99 2wk3 s TYR 618 N -3.12 0.02 -0.05 5.02 -0.85 -1.26 -1.13 117.35 115.98 2wk3 s TYR 618 Ca 0.28 -0.36 0.02 0.00 -0.52 0.00 0.00 57.07 56.50 2wk3 s TYR 618 Cb 0.06 0.04 0.02 0.00 0.38 0.00 0.00 41.96 42.46 2wk3 s TYR 618 CO 0.14 -0.56 -0.08 0.34 -1.52 0.00 0.00 175.55 173.87 2wk3 s ASP 619 N -2.63 1.34 -0.12 -0.18 2.15 0.62 -4.96 116.67 112.89 2wk3 s ASP 619 Ca 0.02 -0.21 -0.03 0.00 0.43 0.00 0.00 52.55 52.75 2wk3 s ASP 619 Cb 0.03 -0.63 0.05 0.00 -0.30 0.00 0.00 42.92 42.06 2wk3 s ASP 619 CO -0.09 -0.01 0.07 -0.22 -0.17 0.00 0.00 175.17 174.74 2wk3 s LEU 620 N 0.78 0.39 0.04 -1.34 2.96 -1.26 0.16 118.68 120.41 2wk3 s LEU 620 Ca -0.13 -0.36 -0.08 0.00 -0.22 0.00 0.00 54.13 53.35 2wk3 s LEU 620 Cb -0.15 -0.26 -0.00 0.00 0.50 0.00 0.00 46.19 46.27 2wk3 s LEU 620 CO 0.02 -0.30 0.15 0.00 -1.32 0.00 0.00 176.35 174.90 2wk3 s GLN 621 N 2.10 0.65 0.36 1.98 -2.07 -0.26 -4.93 119.66 117.49 2wk3 s GLN 621 Ca 0.03 -0.70 -0.26 0.00 -1.82 0.00 0.00 55.36 52.61 2wk3 s GLN 621 Cb -0.14 0.26 -0.09 0.00 -1.09 0.00 0.00 33.01 31.95 2wk3 s GLN 621 CO -0.07 -0.18 1.11 0.54 -1.32 0.00 0.00 175.29 175.37 2wk3 s ASN 622 N -2.13 6.85 0.46 12.60 4.22 -1.26 0.28 114.94 135.95 2wk3 s ASN 622 Ca -0.05 2.22 0.00 0.00 -2.14 0.00 0.00 52.86 52.90 2wk3 s ASN 622 Cb -0.01 -2.61 -0.00 0.00 1.28 0.00 0.00 41.25 39.91 2wk3 s ASN 622 CO -0.04 -0.44 0.01 0.35 -2.04 0.00 0.00 177.10 174.93 2wk3 n THR 623 N 0.40 0.00 0.30 0.54 -2.24 -0.96 -4.84 114.28 107.47 2wk3 n THR 623 Ca 0.03 -2.20 0.17 0.00 -2.27 0.00 0.00 64.05 59.77 2wk3 n THR 623 Cb 0.47 0.46 0.66 0.00 -2.10 0.00 0.00 70.33 69.82 2wk3 n THR 623 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 2wk3 h ILE 624 N 1.26 0.00 -0.00 2.28 3.07 -1.97 -3.22 117.51 118.93 2wk3 h ILE 624 Ca -0.38 -0.47 0.00 0.00 1.55 0.00 0.00 64.86 65.56 2wk3 h ILE 624 Cb 1.17 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 39.15 2wk3 h ILE 624 CO 0.63 0.00 -0.89 -1.22 -1.05 0.00 0.00 178.15 175.63 2wk3 n TYR 625 N -2.97 0.00 0.00 0.16 4.01 -1.26 -4.52 117.16 112.59 2wk3 n TYR 625 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2wk3 n TYR 625 Cb 0.29 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 2wk3 n TYR 625 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wk3 n GLY 626 N 1.49 0.57 3.86 2.72 0.00 -1.22 -1.48 105.19 111.13 2wk3 n GLY 626 Ca 0.05 -2.30 -0.31 0.00 0.00 0.00 0.00 46.02 43.45 2wk3 n GLY 626 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wk3 s MET 627 N -0.55 3.86 -0.05 1.61 -1.94 -0.09 -2.27 119.30 119.87 2wk3 s MET 627 Ca 0.00 0.72 0.04 0.00 -1.71 0.00 0.00 55.69 54.74 2wk3 s MET 627 Cb 0.00 -2.26 -0.00 0.00 2.01 0.00 0.00 34.83 34.58 2wk3 s MET 627 CO 0.00 -0.16 -0.18 -0.47 -0.01 0.00 0.00 175.02 174.20 2wk3 s TYR 628 N -2.51 1.78 -0.02 -0.03 5.04 0.14 -1.06 117.35 120.69 2wk3 s TYR 628 Ca 0.55 -0.54 0.01 0.00 -2.44 0.00 0.00 57.07 54.65 2wk3 s TYR 628 Cb -0.10 -1.21 0.01 0.00 0.35 0.00 0.00 41.96 41.02 2wk3 s TYR 628 CO 0.32 -0.19 -0.04 -1.17 -1.34 0.00 0.00 175.55 173.12 2wk3 s LEU 629 N 0.10 1.58 -0.04 6.97 0.20 -0.38 -1.10 118.68 126.01 2wk3 s LEU 629 Ca -0.06 -0.10 -0.01 0.00 0.69 0.00 0.00 54.13 54.66 2wk3 s LEU 629 Cb -0.12 -0.34 0.03 0.00 -0.43 0.00 0.00 46.19 45.33 2wk3 s LEU 629 CO 0.03 -0.01 0.02 -0.55 -0.29 0.00 0.00 176.35 175.54 2wk3 s SER 630 N 0.50 0.92 -0.16 3.68 0.15 0.12 -0.58 113.70 118.33 2wk3 s SER 630 Ca -0.06 -0.01 -0.00 0.00 0.70 0.00 0.00 55.95 56.57 2wk3 s SER 630 Cb -0.09 -0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 63.96 2wk3 s SER 630 CO -0.00 -0.17 -0.13 0.54 1.20 0.00 0.00 173.24 174.68 2wk3 s VAL 631 N 1.58 2.88 0.16 4.45 0.11 -0.43 -0.28 120.40 128.87 2wk3 s VAL 631 Ca -0.02 -0.70 0.08 0.00 -2.93 0.00 0.00 61.98 58.41 2wk3 s VAL 631 Cb -0.13 -2.23 -0.04 0.00 -1.53 0.00 0.00 36.38 32.45 2wk3 s VAL 631 CO -0.03 0.50 -0.17 -0.54 -3.33 0.00 0.00 175.10 171.54 2wk3 s LYS 632 N 0.78 1.21 0.00 1.54 1.02 -0.29 -0.41 119.74 123.60 2wk3 s LYS 632 Ca -0.05 -1.38 0.00 0.00 0.02 0.00 0.00 55.97 54.56 2wk3 s LYS 632 Cb -0.15 -1.20 0.00 0.00 -0.52 0.00 0.00 37.83 35.96 2wk3 s LYS 632 CO 0.01 0.24 0.00 0.41 -0.92 0.00 0.00 175.35 175.08 2wk3 n GLY 633 N 0.28 0.59 3.75 -3.33 0.00 -1.07 -0.36 105.19 105.06 2wk3 n GLY 633 Ca -0.13 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.25 2wk3 n GLY 633 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wk3 s TYR 634 N -0.41 2.93 0.21 1.61 2.02 -1.11 -0.35 117.35 122.25 2wk3 s TYR 634 Ca 0.00 1.07 -0.04 0.00 -0.37 0.00 0.00 57.07 57.72 2wk3 s TYR 634 Cb 0.00 -3.86 0.18 0.00 -0.40 0.00 0.00 41.96 37.88 2wk3 s TYR 634 CO 0.00 -2.72 1.63 -2.95 -1.57 0.00 0.00 175.55 169.94 2wk3 h ASN 635 N 4.48 0.79 -1.53 2.29 -1.07 -1.59 -3.33 115.58 115.62 2wk3 h ASN 635 Ca -0.47 -0.28 0.44 0.00 0.07 0.00 0.00 56.30 56.06 2wk3 h ASN 635 Cb 1.22 -0.22 -0.06 0.00 -2.07 0.00 0.00 38.32 37.19 2wk3 h ASN 635 CO 0.74 0.99 1.10 -0.67 0.07 0.00 0.00 177.43 179.66 2wk3 n ASP 636 N -4.12 0.00 0.00 6.14 4.64 -1.26 -1.45 116.55 120.51 2wk3 n ASP 636 Ca 0.00 0.77 0.00 0.00 -1.38 0.00 0.00 54.79 54.18 2wk3 n ASP 636 Cb 0.43 -0.38 0.00 0.00 -1.04 0.00 0.00 41.12 40.12 2wk3 n ASP 636 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 2wk3 n LYS 637 N -3.49 0.74 -0.17 -0.67 5.02 -1.25 -4.85 118.16 113.49 2wk3 n LYS 637 Ca 0.34 -0.71 -0.05 0.00 -2.02 0.00 0.00 58.31 55.88 2wk3 n LYS 637 Cb 1.56 -0.66 0.01 0.00 -0.02 0.00 0.00 35.03 35.92 2wk3 n LYS 637 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2wk3 h GLN 638 N 0.00 -0.15 -0.40 1.97 4.20 -1.37 -1.71 115.11 117.65 2wk3 h GLN 638 Ca 0.00 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.83 2wk3 h GLN 638 Cb 0.76 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 2wk3 h GLN 638 CO 0.00 -0.10 0.29 -1.35 -0.67 0.00 0.00 178.83 177.00 2wk3 h PRO 639 N -0.16 0.02 -0.34 1.46 0.11 -1.89 0.52 132.00 131.72 2wk3 h PRO 639 Ca 0.23 -0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.18 2wk3 h PRO 639 Cb 0.53 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.63 2wk3 h PRO 639 CO -0.62 0.01 -0.41 0.82 -0.21 0.00 0.00 178.00 177.59 2wk3 h ILE 640 N 0.02 1.28 -0.03 4.15 2.04 -1.68 -0.41 117.51 122.88 2wk3 h ILE 640 Ca 0.19 -1.58 -0.07 0.00 1.00 0.00 0.00 64.86 64.39 2wk3 h ILE 640 Cb 0.74 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2wk3 h ILE 640 CO -0.01 0.52 -0.27 0.25 0.00 0.00 0.00 178.15 178.65 2wk3 h LEU 641 N 0.66 0.28 -0.53 1.44 5.85 -0.93 -1.34 115.31 120.74 2wk3 h LEU 641 Ca 0.04 -0.71 0.11 0.00 0.84 0.00 0.00 57.88 58.16 2wk3 h LEU 641 Cb 1.00 -0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.84 2wk3 h LEU 641 CO 0.10 0.95 -0.20 0.25 -0.34 0.00 0.00 178.44 179.20 2wk3 h LEU 642 N -0.36 -0.70 -0.50 2.25 6.46 -1.02 -0.00 115.31 121.44 2wk3 h LEU 642 Ca -0.03 0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 2wk3 h LEU 642 Cb 0.97 0.40 -0.02 0.00 -0.73 0.00 0.00 40.66 41.28 2wk3 h LEU 642 CO 0.05 -0.23 0.26 0.50 -0.62 0.00 0.00 178.44 178.40 2wk3 h LYS 643 N -0.07 0.71 -0.88 1.25 3.64 -1.01 -1.78 116.57 118.42 2wk3 h LYS 643 Ca 0.25 -0.09 0.05 0.00 -1.27 0.00 0.00 60.65 59.58 2wk3 h LYS 643 Cb 0.46 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.09 2wk3 h LYS 643 CO -0.59 0.57 0.56 -0.22 -2.27 0.00 0.00 179.45 177.51 2wk3 h LYS 644 N 0.66 1.03 -0.18 1.90 1.63 0.00 -1.58 116.57 120.03 2wk3 h LYS 644 Ca 0.17 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 2wk3 h LYS 644 Cb 0.09 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.48 2wk3 h LYS 644 CO -0.02 0.68 0.06 0.82 -3.45 0.00 0.00 179.45 177.54 2wk3 h ILE 645 N 1.07 1.18 -0.54 2.00 2.04 -0.22 0.11 117.51 123.14 2wk3 h ILE 645 Ca 0.37 -0.55 -0.06 0.00 1.00 0.00 0.00 64.86 65.62 2wk3 h ILE 645 Cb 0.08 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2wk3 h ILE 645 CO -0.14 0.17 0.09 0.40 0.00 0.00 0.00 178.15 178.67 2wk3 h ILE 646 N 0.12 1.24 -0.59 -0.67 1.08 -1.30 0.44 117.51 117.83 2wk3 h ILE 646 Ca 0.06 -0.92 -0.03 0.00 -0.39 0.00 0.00 64.86 63.58 2wk3 h ILE 646 Cb 0.21 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 34.67 2wk3 h ILE 646 CO -0.00 0.34 0.23 -0.33 -0.69 0.00 0.00 178.15 177.69 2wk3 h GLU 647 N 0.82 0.88 -0.23 2.37 5.08 -0.68 -1.56 114.58 121.26 2wk3 h GLU 647 Ca 0.17 -0.16 -0.17 0.00 -1.00 0.00 0.00 59.36 58.20 2wk3 h GLU 647 Cb 0.37 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2wk3 h GLU 647 CO 0.01 0.76 -0.53 0.87 -1.00 0.00 0.00 179.01 179.12 2wk3 h LYS 648 N 0.81 0.67 -0.55 2.33 1.79 -0.63 -2.73 116.57 118.26 2wk3 h LYS 648 Ca 0.20 -0.41 -0.10 0.00 -2.18 0.00 0.00 60.65 58.15 2wk3 h LYS 648 Cb 0.21 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.88 2wk3 h LYS 648 CO -0.02 1.03 -0.06 0.00 -1.08 0.00 0.00 179.45 179.33 2wk3 h MET 649 N 0.52 1.00 -0.00 3.15 -0.00 -0.56 -0.31 114.93 118.72 2wk3 h MET 649 Ca 0.02 -0.34 0.00 0.00 -0.00 0.00 0.00 59.70 59.38 2wk3 h MET 649 Cb 1.09 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 32.61 2wk3 h MET 649 CO 0.11 1.01 -0.07 0.00 -0.00 0.00 0.00 176.91 177.96 2wk3 n ALA 650 N -2.49 2.68 -2.05 -3.00 0.00 -0.62 -3.87 120.51 111.15 2wk3 n ALA 650 Ca 0.02 -0.23 0.02 0.00 0.00 0.00 0.00 53.44 53.25 2wk3 n ALA 650 Cb 0.37 -1.39 0.02 0.00 0.00 0.00 0.00 19.45 18.45 2wk3 n ALA 650 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wk3 n THR 651 N -1.05 0.22 -2.05 0.00 -2.24 -0.82 -4.51 114.28 103.84 2wk3 n THR 651 Ca 0.15 -0.56 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 2wk3 n THR 651 Cb 0.26 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 69.01 2wk3 n THR 651 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2wk3 s PHE 652 N -0.33 3.01 -0.18 4.78 5.36 -0.19 -4.96 117.98 125.47 2wk3 s PHE 652 Ca 0.13 0.72 -0.00 0.00 -0.96 0.00 0.00 56.93 56.82 2wk3 s PHE 652 Cb 0.14 -3.81 0.01 0.00 -0.34 0.00 0.00 43.02 39.02 2wk3 s PHE 652 CO -0.05 -3.00 -0.15 -1.21 -1.46 0.00 0.00 175.22 169.35 2wk3 s GLU 653 N 1.49 3.13 0.20 10.12 2.02 -1.26 -5.09 118.70 129.31 2wk3 s GLU 653 Ca 0.68 -0.77 -0.30 0.00 0.02 0.00 0.00 54.97 54.60 2wk3 s GLU 653 Cb -0.39 -2.68 -0.08 0.00 0.10 0.00 0.00 34.13 31.08 2wk3 s GLU 653 CO 0.31 -0.15 1.02 0.42 0.02 0.00 0.00 175.26 176.87 2wk3 s ILE 654 N 1.22 4.00 -0.22 -1.63 1.01 -1.26 -5.03 121.20 119.29 2wk3 s ILE 654 Ca 0.02 1.84 -0.20 0.00 0.00 0.00 0.00 60.65 62.32 2wk3 s ILE 654 Cb -0.14 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 2wk3 s ILE 654 CO -0.07 0.37 0.60 -0.62 0.00 0.00 0.00 174.94 175.22 2wk3 s ASP 655 N -0.57 6.61 0.17 3.58 -1.08 -1.26 -4.98 116.67 119.14 2wk3 s ASP 655 Ca 0.45 0.74 -0.20 0.00 -0.52 0.00 0.00 52.55 53.02 2wk3 s ASP 655 Cb -0.27 -2.33 0.10 0.00 -1.46 0.00 0.00 42.92 38.96 2wk3 s ASP 655 CO 0.34 -0.29 1.61 -0.08 0.52 0.00 0.00 175.17 177.28 2wk3 h GLU 656 N 7.64 -0.16 -0.22 4.34 4.81 -2.00 -1.54 114.58 127.45 2wk3 h GLU 656 Ca -0.30 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.95 2wk3 h GLU 656 Cb 1.14 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 2wk3 h GLU 656 CO 0.76 -0.11 0.11 0.87 -0.73 0.00 0.00 179.01 179.91 2wk3 h LYS 657 N -0.17 0.23 -0.60 1.92 1.57 -2.00 -2.04 116.57 115.47 2wk3 h LYS 657 Ca 0.20 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.08 2wk3 h LYS 657 Cb 0.49 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.66 2wk3 h LYS 657 CO -0.54 0.15 0.10 0.00 -0.57 0.00 0.00 179.45 178.59 2wk3 h ARG 658 N 0.23 0.22 -0.35 3.15 2.47 -1.88 -2.14 114.38 116.09 2wk3 h ARG 658 Ca 0.09 -0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.86 2wk3 h ARG 658 Cb 0.02 -0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.24 2wk3 h ARG 658 CO -0.06 0.15 0.02 0.35 0.56 0.00 0.00 179.97 180.98 2wk3 h PHE 659 N 0.23 0.02 -0.38 3.04 3.57 -0.62 -0.34 116.94 122.45 2wk3 h PHE 659 Ca 0.31 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.75 2wk3 h PHE 659 Cb 0.47 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 2wk3 h PHE 659 CO -0.27 -0.04 -0.13 0.93 -2.23 0.00 0.00 178.31 176.58 2wk3 h GLU 660 N 0.12 0.68 -0.24 1.11 4.39 -0.92 -1.28 114.58 118.44 2wk3 h GLU 660 Ca 0.17 -0.22 -0.13 0.00 0.34 0.00 0.00 59.36 59.52 2wk3 h GLU 660 Cb 0.22 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2wk3 h GLU 660 CO -0.27 0.78 -0.35 0.82 -1.16 0.00 0.00 179.01 178.83 2wk3 h ILE 661 N 0.62 1.31 -0.00 3.13 2.04 -0.80 -2.22 117.51 121.59 2wk3 h ILE 661 Ca 0.11 -1.55 -0.20 0.00 1.00 0.00 0.00 64.86 64.21 2wk3 h ILE 661 Cb 0.57 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 2wk3 h ILE 661 CO 0.04 0.49 -0.88 0.40 0.00 0.00 0.00 178.15 178.19 2wk3 h ILE 662 N 0.39 1.46 -0.26 -0.67 2.04 -1.01 -1.80 117.51 117.66 2wk3 h ILE 662 Ca 0.03 -2.54 -0.00 0.00 1.00 0.00 0.00 64.86 63.34 2wk3 h ILE 662 Cb 0.94 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 39.44 2wk3 h ILE 662 CO 0.08 0.75 0.16 0.50 0.00 0.00 0.00 178.15 179.63 2wk3 h LYS 663 N 0.15 0.36 -0.12 2.37 3.64 -1.22 -1.20 116.57 120.55 2wk3 h LYS 663 Ca -0.05 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 2wk3 h LYS 663 Cb 1.51 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.25 2wk3 h LYS 663 CO 0.14 0.29 -0.16 1.49 -2.27 0.00 0.00 179.45 178.93 2wk3 h GLU 664 N 0.33 0.20 -0.05 1.90 4.22 -1.16 0.33 114.58 120.35 2wk3 h GLU 664 Ca 0.09 -0.05 -0.22 0.00 0.08 0.00 0.00 59.36 59.26 2wk3 h GLU 664 Cb 0.02 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.26 2wk3 h GLU 664 CO -0.02 0.37 -0.85 0.00 -2.18 0.00 0.00 179.01 176.33 2wk3 h ALA 665 N 1.65 0.16 -0.80 2.92 0.00 -1.08 -2.67 119.26 119.45 2wk3 h ALA 665 Ca 0.04 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 2wk3 h ALA 665 Cb 0.41 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2wk3 h ALA 665 CO 0.03 0.59 0.41 -0.92 0.00 0.00 0.00 179.25 179.35 2wk3 h TYR 666 N 0.31 1.12 0.37 0.00 3.20 -0.80 0.21 116.97 121.38 2wk3 h TYR 666 Ca -0.09 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.74 2wk3 h TYR 666 Cb 1.51 -0.35 -0.03 0.00 1.54 0.00 0.00 36.73 39.40 2wk3 h TYR 666 CO 0.11 0.80 -0.40 1.98 -1.64 0.00 0.00 178.16 179.00 2wk3 h MET 667 N 1.13 -0.77 -0.57 1.82 4.05 -0.86 0.09 114.93 119.80 2wk3 h MET 667 Ca 0.28 0.05 0.10 0.00 -0.28 0.00 0.00 59.70 59.85 2wk3 h MET 667 Cb 0.08 0.18 -0.08 0.00 -0.80 0.00 0.00 31.60 30.98 2wk3 h MET 667 CO -0.04 -0.52 0.16 0.00 0.23 0.00 0.00 176.91 176.75 2wk3 h ARG 668 N -0.80 0.30 -0.86 0.39 3.08 -1.18 0.13 114.38 115.43 2wk3 h ARG 668 Ca -0.03 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.09 2wk3 h ARG 668 Cb 0.73 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.65 2wk3 h ARG 668 CO -0.08 0.20 0.56 1.03 -1.07 0.00 0.00 179.97 180.61 2wk3 h SER 669 N 0.31 0.79 -0.02 7.04 0.87 -0.13 0.25 113.55 122.67 2wk3 h SER 669 Ca 0.29 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.86 2wk3 h SER 669 Cb 0.40 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2wk3 h SER 669 CO -0.34 0.48 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.34 2wk3 h LEU 670 N 0.88 0.05 -1.11 2.23 3.38 0.12 -3.16 115.31 117.70 2wk3 h LEU 670 Ca 0.39 -0.50 0.04 0.00 0.09 0.00 0.00 57.88 57.90 2wk3 h LEU 670 Cb 0.36 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 2wk3 h LEU 670 CO -0.16 0.54 0.61 0.78 0.09 0.00 0.00 178.44 180.29 2wk3 h ASN 671 N -0.44 1.00 0.00 -0.43 2.35 -0.62 -2.73 115.58 114.71 2wk3 h ASN 671 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2wk3 h ASN 671 Cb 0.52 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.67 2wk3 h ASN 671 CO 0.00 0.68 0.01 0.59 -1.65 0.00 0.00 177.43 177.07 2wk3 n ASN 672 N -4.45 0.20 0.28 5.81 5.03 0.84 -1.44 115.26 121.53 2wk3 n ASN 672 Ca 0.12 0.58 0.13 0.00 0.87 0.00 0.00 54.58 56.29 2wk3 n ASN 672 Cb 0.11 -0.61 0.79 0.00 -1.02 0.00 0.00 39.78 39.05 2wk3 n ASN 672 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 2wk3 h PHE 673 N 0.00 0.00 -0.06 3.10 3.57 -1.53 -2.23 116.94 119.79 2wk3 h PHE 673 Ca 0.00 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 2wk3 h PHE 673 Cb 0.02 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 2wk3 h PHE 673 CO 0.00 0.06 0.13 0.07 -2.23 0.00 0.00 178.31 176.35 2wk3 h ARG 674 N 0.00 0.00 -0.30 1.11 0.11 -1.49 -1.98 114.38 111.83 2wk3 h ARG 674 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2wk3 h ARG 674 Cb 0.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.24 2wk3 h ARG 674 CO 0.01 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.08 2wk3 n ALA 675 N -2.16 2.41 -1.08 0.08 0.00 -0.84 -4.42 120.51 114.50 2wk3 n ALA 675 Ca -0.01 -0.93 -0.30 0.00 0.00 0.00 0.00 53.44 52.20 2wk3 n ALA 675 Cb 0.22 -0.76 0.15 0.00 0.00 0.00 0.00 19.45 19.05 2wk3 n ALA 675 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2wk3 s GLU 676 N -1.44 1.12 0.52 0.00 0.41 -0.75 -4.94 118.70 113.63 2wk3 s GLU 676 Ca 0.33 0.95 -0.21 0.00 -0.41 0.00 0.00 54.97 55.62 2wk3 s GLU 676 Cb 0.20 -1.78 -0.06 0.00 -1.78 0.00 0.00 34.13 30.71 2wk3 s GLU 676 CO 0.28 -2.37 1.24 -1.14 -0.49 0.00 0.00 175.26 172.78 2wk3 s GLN 677 N -4.85 3.35 0.26 1.61 2.00 -1.26 -4.77 119.66 115.99 2wk3 s GLN 677 Ca 0.64 1.95 -0.02 0.00 -2.00 0.00 0.00 55.36 55.92 2wk3 s GLN 677 Cb -0.19 -2.24 0.46 0.00 0.80 0.00 0.00 33.01 31.84 2wk3 s GLN 677 CO 0.58 -0.93 1.80 -1.35 -0.50 0.00 0.00 175.29 174.88 2wk3 h PRO 678 N 1.56 0.73 -0.30 1.67 0.11 -1.91 0.17 132.00 134.04 2wk3 h PRO 678 Ca -0.50 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.48 2wk3 h PRO 678 Cb 1.28 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2wk3 h PRO 678 CO 0.58 0.49 -0.17 1.12 -0.21 0.00 0.00 178.00 179.81 2wk3 h HIS 679 N 0.76 0.58 -0.32 0.65 2.07 -1.87 -0.28 115.15 116.75 2wk3 h HIS 679 Ca 0.43 -0.10 -0.06 0.00 -2.85 0.00 0.00 60.37 57.79 2wk3 h HIS 679 Cb 0.48 -0.15 -0.01 0.00 2.57 0.00 0.00 27.41 30.30 2wk3 h HIS 679 CO -0.06 0.67 -0.04 1.96 -3.07 0.00 0.00 177.93 177.39 2wk3 h GLN 680 N 0.48 0.58 -0.75 5.12 4.20 -1.30 -2.33 115.11 121.12 2wk3 h GLN 680 Ca 0.08 -0.20 0.17 0.00 0.06 0.00 0.00 58.65 58.76 2wk3 h GLN 680 Cb 0.57 -0.04 -0.12 0.00 0.30 0.00 0.00 27.48 28.18 2wk3 h GLN 680 CO 0.04 0.74 0.09 0.45 -0.67 0.00 0.00 178.83 179.48 2wk3 h HIS 681 N 0.37 0.11 -0.42 2.96 3.86 -0.41 -1.81 115.15 119.80 2wk3 h HIS 681 Ca 0.09 0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.27 2wk3 h HIS 681 Cb 0.50 0.07 -0.02 0.00 1.06 0.00 0.00 27.41 29.02 2wk3 h HIS 681 CO 0.04 -0.18 -0.05 0.00 0.86 0.00 0.00 177.93 178.61 2wk3 h ALA 682 N 1.67 1.12 -0.46 2.45 0.00 -0.54 -0.97 119.26 122.54 2wk3 h ALA 682 Ca 0.42 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2wk3 h ALA 682 Cb 0.74 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2wk3 h ALA 682 CO -0.60 0.55 -0.08 0.52 0.00 0.00 0.00 179.25 179.65 2wk3 h MET 683 N 0.66 0.80 0.44 0.00 2.07 -1.16 -2.39 114.93 115.35 2wk3 h MET 683 Ca 0.13 -0.26 -0.02 0.00 -2.07 0.00 0.00 59.70 57.48 2wk3 h MET 683 Cb 0.48 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 30.14 2wk3 h MET 683 CO 0.02 0.86 -0.21 -0.92 1.07 0.00 0.00 176.91 177.74 2wk3 h TYR 684 N 0.73 -0.54 -0.74 -0.22 3.20 -0.34 -1.47 116.97 117.59 2wk3 h TYR 684 Ca 0.13 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.08 2wk3 h TYR 684 Cb 0.56 0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.96 2wk3 h TYR 684 CO 0.03 -0.23 0.49 1.88 -1.64 0.00 0.00 178.16 178.69 2wk3 h TYR 685 N -0.84 0.69 -0.41 -3.82 0.05 -1.36 -0.51 116.97 110.77 2wk3 h TYR 685 Ca -0.06 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.67 2wk3 h TYR 685 Cb 0.56 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 2wk3 h TYR 685 CO 0.00 0.33 -0.02 1.25 -1.05 0.00 0.00 178.16 178.68 2wk3 h LEU 686 N 0.65 0.72 -1.39 3.88 5.85 -1.25 -0.54 115.31 123.22 2wk3 h LEU 686 Ca 0.34 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.78 2wk3 h LEU 686 Cb 0.47 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 2wk3 h LEU 686 CO -0.12 0.86 0.44 0.03 -0.34 0.00 0.00 178.44 179.32 2wk3 h ARG 687 N 0.56 0.77 -0.24 1.25 -0.00 -0.04 0.01 114.38 116.68 2wk3 h ARG 687 Ca 0.11 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.98 59.43 2wk3 h ARG 687 Cb 0.50 -0.17 -0.00 0.00 0.00 0.00 0.00 29.97 30.30 2wk3 h ARG 687 CO 0.02 0.51 -0.29 -0.07 0.00 0.00 0.00 179.97 180.14 2wk3 h LEU 688 N 0.79 0.68 -0.68 3.04 3.38 -0.78 -2.13 115.31 119.61 2wk3 h LEU 688 Ca 0.27 -0.49 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 2wk3 h LEU 688 Cb 0.09 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2wk3 h LEU 688 CO -0.08 1.04 0.01 -0.07 0.09 0.00 0.00 178.44 179.43 2wk3 h LEU 689 N 0.34 1.01 -0.55 1.67 3.38 -0.37 -3.30 115.31 117.49 2wk3 h LEU 689 Ca 0.03 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2wk3 h LEU 689 Cb 0.87 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2wk3 h LEU 689 CO 0.07 1.06 -0.50 0.23 0.09 0.00 0.00 178.44 179.38 2wk3 n MET 690 N -4.19 0.74 -3.88 1.13 2.81 -0.08 -4.82 117.12 108.84 2wk3 n MET 690 Ca 0.03 -0.55 -0.36 0.00 -1.81 0.00 0.00 57.70 55.01 2wk3 n MET 690 Cb 0.34 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.30 2wk3 n MET 690 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2wk3 s THR 691 N -2.64 5.49 0.13 2.03 2.01 -0.82 -2.10 115.64 119.74 2wk3 s THR 691 Ca 0.18 0.16 -0.26 0.00 0.31 0.00 0.00 61.69 62.07 2wk3 s THR 691 Cb 0.18 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 2wk3 s THR 691 CO 0.62 0.57 1.63 -0.08 -0.69 0.00 0.00 174.62 176.67 2wk3 h GLU 692 N 4.78 -0.39 -4.92 4.92 4.81 -1.40 -3.40 114.58 118.97 2wk3 h GLU 692 Ca -0.54 0.03 -0.54 0.00 -0.13 0.00 0.00 59.36 58.18 2wk3 h GLU 692 Cb 1.22 0.09 -0.32 0.00 0.63 0.00 0.00 28.75 30.37 2wk3 h GLU 692 CO 0.60 -0.26 -0.83 0.08 -0.73 0.00 0.00 179.01 177.88 2wk3 s VAL 693 N -6.04 1.29 -0.29 0.32 1.01 -1.26 -5.04 120.40 110.38 2wk3 s VAL 693 Ca -0.15 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 2wk3 s VAL 693 Cb 0.09 -1.14 0.12 0.00 0.00 0.00 0.00 36.38 35.46 2wk3 s VAL 693 CO 0.66 0.38 0.69 0.00 0.00 0.00 0.00 175.10 176.83 2wk3 s ALA 694 N 0.33 -2.05 0.08 5.51 0.00 -1.26 -5.09 121.76 119.29 2wk3 s ALA 694 Ca -0.09 2.35 -0.21 0.00 0.00 0.00 0.00 51.96 54.01 2wk3 s ALA 694 Cb -0.13 -1.70 -0.07 0.00 0.00 0.00 0.00 23.12 21.22 2wk3 s ALA 694 CO 0.03 -0.77 0.63 -1.58 0.00 0.00 0.00 175.76 174.07 2wk3 s TRP 695 N 2.51 3.81 0.54 0.00 0.23 -1.26 -5.04 118.94 119.72 2wk3 s TRP 695 Ca -0.07 1.36 -0.07 0.00 -2.03 0.00 0.00 56.10 55.29 2wk3 s TRP 695 Cb -0.10 -2.59 -0.03 0.00 0.03 0.00 0.00 33.47 30.78 2wk3 s TRP 695 CO -0.19 0.53 0.88 0.95 0.96 0.00 0.00 176.95 180.08 2wk3 s THR 696 N -0.95 4.72 0.29 2.01 -4.23 -1.26 -4.87 115.64 111.34 2wk3 s THR 696 Ca 0.31 0.41 0.03 0.00 -1.18 0.00 0.00 61.69 61.27 2wk3 s THR 696 Cb -0.20 -3.83 0.28 0.00 1.34 0.00 0.00 72.50 70.09 2wk3 s THR 696 CO 0.21 -0.92 1.79 0.11 -0.54 0.00 0.00 174.62 175.27 2wk3 h LYS 697 N -0.00 0.79 -0.60 3.99 1.79 -1.97 0.19 116.57 120.76 2wk3 h LYS 697 Ca -0.46 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 57.92 2wk3 h LYS 697 Cb 1.20 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 31.65 2wk3 h LYS 697 CO 0.62 0.52 0.20 -0.44 -1.08 0.00 0.00 179.45 179.27 2wk3 h ASP 698 N 0.82 0.87 -0.21 0.86 3.32 -1.94 0.52 116.42 120.65 2wk3 h ASP 698 Ca 0.53 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.38 2wk3 h ASP 698 Cb 0.73 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2wk3 h ASP 698 CO -0.34 0.83 0.10 -0.33 -1.72 0.00 0.00 179.24 177.78 2wk3 h GLU 699 N 0.85 0.31 -0.49 3.56 5.08 -1.71 0.01 114.58 122.18 2wk3 h GLU 699 Ca 0.20 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 2wk3 h GLU 699 Cb 0.27 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2wk3 h GLU 699 CO -0.01 0.33 0.27 -0.07 -1.00 0.00 0.00 179.01 178.54 2wk3 h LEU 700 N 0.21 0.41 -0.08 1.33 3.38 -0.51 -0.86 115.31 119.20 2wk3 h LEU 700 Ca 0.07 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2wk3 h LEU 700 Cb 0.13 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2wk3 h LEU 700 CO -0.01 0.29 0.03 0.50 0.09 0.00 0.00 178.44 179.34 2wk3 h LYS 701 N 0.53 0.12 -0.46 1.13 3.64 -0.63 -2.62 116.57 118.28 2wk3 h LYS 701 Ca 0.21 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.65 2wk3 h LYS 701 Cb 0.08 -0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 31.78 2wk3 h LYS 701 CO -0.12 0.27 -0.33 1.49 -2.27 0.00 0.00 179.45 178.48 2wk3 h GLU 702 N -0.06 -0.22 0.00 1.90 4.57 -0.93 -2.70 114.58 117.14 2wk3 h GLU 702 Ca 0.03 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2wk3 h GLU 702 Cb 0.20 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2wk3 h GLU 702 CO -0.00 -0.14 0.00 0.00 -1.18 0.00 0.00 179.01 177.68 2wk3 n ALA 703 N -3.05 2.08 -0.02 2.92 0.00 -0.33 -3.69 120.51 118.43 2wk3 n ALA 703 Ca 0.02 -0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 2wk3 n ALA 703 Cb 0.34 -1.28 -0.14 0.00 0.00 0.00 0.00 19.45 18.37 2wk3 n ALA 703 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wk3 h LEU 704 N 0.00 0.04 -1.83 0.00 5.85 -1.13 -3.25 115.31 114.99 2wk3 h LEU 704 Ca 0.00 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.65 2wk3 h LEU 704 Cb 0.05 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2wk3 h LEU 704 CO 0.00 1.09 0.18 0.44 -0.34 0.00 0.00 178.44 179.80 2wk3 h ASP 705 N 0.01 0.19 0.98 1.25 3.45 -1.72 -0.65 116.42 119.93 2wk3 h ASP 705 Ca -0.29 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.17 2wk3 h ASP 705 Cb 2.01 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 40.74 2wk3 h ASP 705 CO 0.08 0.13 0.00 0.47 -1.57 0.00 0.00 179.24 178.35 2wk3 n ASP 706 N -4.49 0.60 -4.64 6.45 8.00 -1.23 -4.76 116.55 116.49 2wk3 n ASP 706 Ca 0.02 0.61 -0.43 0.00 0.71 0.00 0.00 54.79 55.70 2wk3 n ASP 706 Cb 0.18 -0.75 -0.03 0.00 -0.02 0.00 0.00 41.12 40.50 2wk3 n ASP 706 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wk3 s VAL 707 N -3.19 3.66 0.33 2.53 1.01 -0.25 -4.99 120.40 119.49 2wk3 s VAL 707 Ca 0.07 0.76 0.10 0.00 0.00 0.00 0.00 61.98 62.91 2wk3 s VAL 707 Cb 0.11 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.83 2wk3 s VAL 707 CO 0.46 -0.20 -0.05 0.42 0.00 0.00 0.00 175.10 175.73 2wk3 s THR 708 N 4.84 2.53 0.15 3.92 -4.23 -1.26 -5.02 115.64 116.57 2wk3 s THR 708 Ca 0.72 -2.11 -0.23 0.00 -1.18 0.00 0.00 61.69 58.89 2wk3 s THR 708 Cb -0.28 -2.68 0.03 0.00 1.34 0.00 0.00 72.50 70.91 2wk3 s THR 708 CO 0.29 -0.24 1.61 0.25 -0.54 0.00 0.00 174.62 175.99 2wk3 h LEU 709 N 1.95 -0.93 -0.90 4.79 5.85 -2.00 -1.59 115.31 122.49 2wk3 h LEU 709 Ca -0.42 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 2wk3 h LEU 709 Cb 1.25 0.43 -0.04 0.00 0.37 0.00 0.00 40.66 42.67 2wk3 h LEU 709 CO 0.67 -0.31 0.53 -0.65 -0.34 0.00 0.00 178.44 178.34 2wk3 h PRO 710 N -0.28 1.22 -0.06 5.25 0.11 -1.99 -1.59 132.00 134.67 2wk3 h PRO 710 Ca 0.14 -0.12 -0.05 0.00 0.11 0.00 0.00 66.00 66.09 2wk3 h PRO 710 Cb 0.51 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 2wk3 h PRO 710 CO -0.44 0.86 -0.20 -0.09 -0.21 0.00 0.00 178.00 177.92 2wk3 h ARG 711 N 1.24 0.09 0.06 1.05 2.43 -1.84 -1.47 114.38 115.95 2wk3 h ARG 711 Ca 0.32 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 2wk3 h ARG 711 Cb -0.04 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2wk3 h ARG 711 CO -0.06 0.30 -0.03 1.25 -1.51 0.00 0.00 179.97 179.92 2wk3 h LEU 712 N 0.09 -0.07 -0.62 3.80 6.46 -0.68 0.18 115.31 124.47 2wk3 h LEU 712 Ca 0.02 -0.20 0.12 0.00 -0.12 0.00 0.00 57.88 57.70 2wk3 h LEU 712 Cb 0.42 0.02 -0.10 0.00 -0.73 0.00 0.00 40.66 40.27 2wk3 h LEU 712 CO 0.03 0.16 0.07 0.11 -0.62 0.00 0.00 178.44 178.19 2wk3 h LYS 713 N -0.31 0.18 -0.14 1.25 1.57 -1.25 0.71 116.57 118.57 2wk3 h LYS 713 Ca -0.01 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 2wk3 h LYS 713 Cb 0.27 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2wk3 h LYS 713 CO 0.01 0.12 -0.25 0.00 -0.57 0.00 0.00 179.45 178.76 2wk3 h ALA 714 N 1.53 1.31 -0.56 3.86 0.00 -1.13 -3.31 119.26 120.97 2wk3 h ALA 714 Ca 0.33 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2wk3 h ALA 714 Cb 0.52 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2wk3 h ALA 714 CO -0.47 0.47 0.21 0.35 0.00 0.00 0.00 179.25 179.81 2wk3 h PHE 715 N 0.23 0.86 0.05 0.00 3.57 0.17 -3.25 116.94 118.58 2wk3 h PHE 715 Ca 0.04 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2wk3 h PHE 715 Cb 0.57 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 2wk3 h PHE 715 CO 0.01 0.71 -0.03 0.82 -2.23 0.00 0.00 178.31 177.58 2wk3 h ILE 716 N 0.77 0.93 -0.95 1.41 2.04 -1.49 0.66 117.51 120.87 2wk3 h ILE 716 Ca 0.19 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.20 2wk3 h ILE 716 Cb 0.22 0.93 -0.08 0.00 -0.74 0.00 0.00 36.82 37.14 2wk3 h ILE 716 CO -0.01 0.00 0.60 -0.65 0.00 0.00 0.00 178.15 178.09 2wk3 h PRO 717 N -0.09 0.77 -0.27 2.37 0.11 -1.74 0.25 132.00 133.40 2wk3 h PRO 717 Ca -0.00 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.93 2wk3 h PRO 717 Cb 0.07 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.01 2wk3 h PRO 717 CO 0.00 0.51 -0.33 0.37 -0.21 0.00 0.00 178.00 178.34 2wk3 h GLN 718 N 0.79 0.70 -0.59 1.05 4.15 -1.45 0.63 115.11 120.39 2wk3 h GLN 718 Ca 0.49 -0.39 0.02 0.00 0.77 0.00 0.00 58.65 59.54 2wk3 h GLN 718 Cb 0.71 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.39 2wk3 h GLN 718 CO -0.26 1.01 0.36 1.25 -1.93 0.00 0.00 178.83 179.27 2wk3 h LEU 719 N 0.43 0.60 0.00 -2.39 6.46 -0.03 -2.94 115.31 117.44 2wk3 h LEU 719 Ca 0.03 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 2wk3 h LEU 719 Cb 0.91 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.72 2wk3 h LEU 719 CO 0.08 0.42 -0.12 -0.07 -0.62 0.00 0.00 178.44 178.13 2wk3 h LEU 720 N 0.72 0.00 -1.54 2.25 3.38 -0.20 -3.35 115.31 116.57 2wk3 h LEU 720 Ca 0.24 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.22 2wk3 h LEU 720 Cb 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2wk3 h LEU 720 CO -0.09 0.05 0.32 0.77 0.09 0.00 0.00 178.44 179.58 2wk3 h SER 721 N 0.00 0.54 -3.51 -0.43 4.64 -0.69 -3.40 113.55 110.70 2wk3 h SER 721 Ca -0.00 -0.01 -0.28 0.00 -0.47 0.00 0.00 61.79 61.02 2wk3 h SER 721 Cb 1.04 -0.13 -0.33 0.00 -0.31 0.00 0.00 62.40 62.67 2wk3 h SER 721 CO 0.01 0.38 -0.70 -0.13 -0.87 0.00 0.00 176.83 175.52 2wk3 s ARG 722 N -5.56 -0.01 0.06 4.77 3.00 -1.26 -0.74 118.95 119.23 2wk3 s ARG 722 Ca -0.09 0.23 -0.14 0.00 0.00 0.00 0.00 55.73 55.72 2wk3 s ARG 722 Cb 0.18 -0.23 0.02 0.00 0.00 0.00 0.00 34.95 34.92 2wk3 s ARG 722 CO 0.74 -0.16 0.33 -0.51 0.00 0.00 0.00 175.30 175.70 2wk3 s LEU 723 N 1.07 0.76 0.07 2.53 1.43 -1.08 -4.65 118.68 118.80 2wk3 s LEU 723 Ca -0.09 -0.22 0.05 0.00 -1.03 0.00 0.00 54.13 52.85 2wk3 s LEU 723 Cb -0.12 1.48 -0.03 0.00 0.03 0.00 0.00 46.19 47.55 2wk3 s LEU 723 CO -0.04 -0.68 -0.15 -2.28 0.23 0.00 0.00 176.35 173.44 2wk3 s HIS 724 N -2.89 1.28 -0.10 0.29 5.65 -1.08 -3.04 115.29 115.39 2wk3 s HIS 724 Ca -0.03 -0.45 0.01 0.00 0.25 0.00 0.00 55.06 54.85 2wk3 s HIS 724 Cb 0.00 -0.72 0.02 0.00 -1.18 0.00 0.00 32.58 30.70 2wk3 s HIS 724 CO -0.05 0.07 -0.12 0.42 -0.65 0.00 0.00 174.74 174.41 2wk3 s ILE 725 N -1.22 1.25 -0.06 0.89 1.01 -0.01 -1.10 121.20 121.95 2wk3 s ILE 725 Ca -0.01 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.19 2wk3 s ILE 725 Cb -0.10 -1.18 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 2wk3 s ILE 725 CO 0.02 0.39 -0.13 -0.70 0.00 0.00 0.00 174.94 174.53 2wk3 s GLU 726 N 1.19 2.67 -0.03 2.79 2.12 0.18 -1.24 118.70 126.38 2wk3 s GLU 726 Ca -0.04 -0.67 -0.05 0.00 0.36 0.00 0.00 54.97 54.57 2wk3 s GLU 726 Cb -0.14 -2.45 0.01 0.00 0.26 0.00 0.00 34.13 31.81 2wk3 s GLU 726 CO -0.03 0.57 0.12 0.00 -0.54 0.00 0.00 175.26 175.37 2wk3 s ALA 727 N -0.58 -0.28 -0.15 6.30 0.00 -0.70 0.52 121.76 126.87 2wk3 s ALA 727 Ca 0.08 0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.22 2wk3 s ALA 727 Cb -0.11 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.92 2wk3 s ALA 727 CO 0.01 -0.10 -0.18 -1.17 0.00 0.00 0.00 175.76 174.32 2wk3 s LEU 728 N -0.39 1.94 -0.18 0.00 0.20 0.65 -0.07 118.68 120.82 2wk3 s LEU 728 Ca -0.05 -0.56 0.01 0.00 0.69 0.00 0.00 54.13 54.22 2wk3 s LEU 728 Cb -0.03 -1.33 0.02 0.00 -0.43 0.00 0.00 46.19 44.42 2wk3 s LEU 728 CO 0.00 0.01 -0.19 -0.76 -0.29 0.00 0.00 176.35 175.12 2wk3 s LEU 729 N 1.17 2.19 -0.03 -0.68 1.43 0.43 -0.62 118.68 122.57 2wk3 s LEU 729 Ca -0.00 -0.63 -0.00 0.00 -1.03 0.00 0.00 54.13 52.47 2wk3 s LEU 729 Cb -0.14 -1.50 0.03 0.00 0.03 0.00 0.00 46.19 44.61 2wk3 s LEU 729 CO -0.08 0.00 0.02 -2.28 0.23 0.00 0.00 176.35 174.25 2wk3 s HIS 730 N 1.28 0.15 -5.00 0.29 2.46 -0.21 -1.69 115.29 112.58 2wk3 s HIS 730 Ca 0.05 0.09 0.00 0.00 0.47 0.00 0.00 55.06 55.66 2wk3 s HIS 730 Cb -0.13 -0.34 0.00 0.00 -0.13 0.00 0.00 32.58 31.97 2wk3 s HIS 730 CO -0.12 -0.12 0.00 0.41 -2.47 0.00 0.00 174.74 172.44 2wk3 n GLY 731 N 4.33 0.57 3.47 1.59 0.00 -0.91 -0.06 105.19 114.18 2wk3 n GLY 731 Ca -0.24 -1.62 -0.44 0.00 0.00 0.00 0.00 46.02 43.72 2wk3 n GLY 731 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wk3 n ASN 732 N 0.00 5.13 -3.47 1.61 5.15 -0.85 -0.04 115.26 122.79 2wk3 n ASN 732 Ca 0.00 -2.97 -0.14 0.00 -0.60 0.00 0.00 54.58 50.87 2wk3 n ASN 732 Cb 0.00 -1.62 -0.04 0.00 -0.53 0.00 0.00 39.78 37.60 2wk3 n ASN 732 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2wk3 s ILE 733 N 2.25 0.00 0.26 -1.44 1.10 -1.26 -4.82 121.20 117.30 2wk3 s ILE 733 Ca 0.46 0.00 0.08 0.00 -0.51 0.00 0.00 60.65 60.68 2wk3 s ILE 733 Cb -0.00 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.57 2wk3 s ILE 733 CO 0.02 0.00 0.09 0.42 -2.11 0.00 0.00 174.94 173.36 2wk3 s THR 734 N -2.61 3.86 0.16 4.00 -4.23 -1.26 -4.51 115.64 111.06 2wk3 s THR 734 Ca -0.03 -1.69 -0.24 0.00 -1.18 0.00 0.00 61.69 58.55 2wk3 s THR 734 Cb -0.01 -3.08 0.05 0.00 1.34 0.00 0.00 72.50 70.80 2wk3 s THR 734 CO -0.03 -0.36 1.59 0.50 -0.54 0.00 0.00 174.62 175.78 2wk3 h LYS 735 N 1.71 -0.25 -0.90 3.99 3.64 -1.99 0.44 116.57 123.20 2wk3 h LYS 735 Ca -0.46 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 58.99 2wk3 h LYS 735 Cb 1.25 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 33.07 2wk3 h LYS 735 CO 0.61 -0.17 0.59 1.96 -2.27 0.00 0.00 179.45 180.17 2wk3 h GLN 736 N -0.26 1.04 0.00 1.90 4.20 -2.00 -1.18 115.11 118.82 2wk3 h GLN 736 Ca 0.17 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.70 2wk3 h GLN 736 Cb 0.55 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 2wk3 h GLN 736 CO -0.56 0.69 -0.55 0.00 -0.67 0.00 0.00 178.83 177.73 2wk3 h ALA 737 N 1.49 0.94 0.20 3.87 0.00 -1.05 -1.86 119.26 122.85 2wk3 h ALA 737 Ca 0.37 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2wk3 h ALA 737 Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2wk3 h ALA 737 CO -0.13 0.69 -0.10 0.00 0.00 0.00 0.00 179.25 179.72 2wk3 h ALA 738 N 1.45 -0.27 -0.96 0.00 0.00 0.88 0.16 119.26 120.52 2wk3 h ALA 738 Ca -0.01 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 54.91 2wk3 h ALA 738 Cb 1.08 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 2wk3 h ALA 738 CO 0.07 -0.49 0.61 -0.07 0.00 0.00 0.00 179.25 179.36 2wk3 h LEU 739 N -0.58 0.69 -0.37 0.00 3.38 -1.30 0.13 115.31 117.27 2wk3 h LEU 739 Ca -0.03 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2wk3 h LEU 739 Cb 0.43 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2wk3 h LEU 739 CO 0.04 0.30 0.02 1.23 0.09 0.00 0.00 178.44 180.13 2wk3 h GLY 740 N 0.71 0.69 0.80 0.83 0.00 -0.69 0.35 103.07 105.76 2wk3 h GLY 740 Ca 0.51 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 2wk3 h GLY 740 CO -0.28 0.46 0.02 -2.22 0.00 0.00 0.00 176.54 174.52 2wk3 h ILE 741 N 0.47 1.19 0.29 2.60 2.04 0.11 -1.30 117.51 122.91 2wk3 h ILE 741 Ca 0.11 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 2wk3 h ILE 741 Cb 0.43 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 2wk3 h ILE 741 CO 0.01 0.16 -0.21 -0.03 0.00 0.00 0.00 178.15 178.09 2wk3 h MET 742 N -0.10 -0.48 -0.93 2.37 4.05 -0.65 -2.01 114.93 117.18 2wk3 h MET 742 Ca 0.02 0.03 0.23 0.00 -0.28 0.00 0.00 59.70 59.71 2wk3 h MET 742 Cb 0.24 0.11 -0.12 0.00 -0.80 0.00 0.00 31.60 31.03 2wk3 h MET 742 CO 0.00 -0.32 0.46 1.96 0.23 0.00 0.00 176.91 179.24 2wk3 h GLN 743 N -0.50 0.44 -0.00 0.39 7.50 -0.23 0.11 115.11 122.83 2wk3 h GLN 743 Ca -0.02 -0.03 -0.16 0.00 0.50 0.00 0.00 58.65 58.94 2wk3 h GLN 743 Cb 0.43 -0.10 -0.02 0.00 0.05 0.00 0.00 27.48 27.84 2wk3 h GLN 743 CO 0.01 0.29 -0.75 0.00 -1.50 0.00 0.00 178.83 176.88 2wk3 h MET 744 N 0.45 0.02 0.51 1.46 -0.00 -0.86 0.27 114.93 116.78 2wk3 h MET 744 Ca 0.59 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.70 60.24 2wk3 h MET 744 Cb 1.12 0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.73 2wk3 h MET 744 CO -0.51 0.76 -0.24 0.28 -0.00 0.00 0.00 176.91 177.19 2wk3 h VAL 745 N 0.01 0.50 -0.03 -0.10 2.07 -0.11 -0.15 116.25 118.45 2wk3 h VAL 745 Ca -0.01 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.53 2wk3 h VAL 745 Cb 1.32 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 2wk3 h VAL 745 CO 0.10 0.00 -0.47 -0.33 0.02 0.00 0.00 177.57 176.89 2wk3 h GLU 746 N -0.69 -0.58 0.00 1.57 5.08 -1.03 -1.80 114.58 117.12 2wk3 h GLU 746 Ca -0.07 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2wk3 h GLU 746 Cb 0.53 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2wk3 h GLU 746 CO 0.11 -0.39 -0.01 -0.44 -1.00 0.00 0.00 179.01 177.28 2wk3 h ASP 747 N -0.60 0.00 0.21 1.42 3.32 -0.30 0.26 116.42 120.73 2wk3 h ASP 747 Ca 0.04 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.81 2wk3 h ASP 747 Cb 0.68 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.26 2wk3 h ASP 747 CO -0.36 0.01 -1.21 0.74 -1.72 0.00 0.00 179.24 176.70 2wk3 h THR 748 N 0.00 1.38 0.48 0.35 2.02 -0.45 -2.31 112.91 114.38 2wk3 h THR 748 Ca -0.00 -2.63 -0.02 0.00 0.77 0.00 0.00 66.41 64.52 2wk3 h THR 748 Cb 0.07 3.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.60 2wk3 h THR 748 CO 0.00 0.77 -0.23 -0.07 0.37 0.00 0.00 175.52 176.36 2wk3 h LEU 749 N -0.06 -0.55 -0.95 2.58 3.38 0.09 -1.45 115.31 118.35 2wk3 h LEU 749 Ca -0.21 -0.08 0.16 0.00 0.09 0.00 0.00 57.88 57.84 2wk3 h LEU 749 Cb 1.96 0.14 -0.16 0.00 0.09 0.00 0.00 40.66 42.69 2wk3 h LEU 749 CO 0.23 -0.21 -0.33 -0.38 0.09 0.00 0.00 178.44 177.84 2wk3 n ILE 750 N -5.27 -0.47 -0.02 1.22 5.41 0.62 0.50 119.36 121.35 2wk3 n ILE 750 Ca -0.11 2.22 -0.12 0.00 1.00 0.00 0.00 62.75 65.74 2wk3 n ILE 750 Cb 0.31 -2.97 -0.07 0.00 -0.71 0.00 0.00 39.64 36.20 2wk3 n ILE 750 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2wk3 h GLU 751 N 0.00 0.16 0.00 0.38 4.81 -1.25 -1.91 114.58 116.76 2wk3 h GLU 751 Ca 0.37 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.44 2wk3 h GLU 751 Cb 0.61 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 2wk3 h GLU 751 CO -0.96 0.35 -1.88 0.72 -0.73 0.00 0.00 179.01 176.51 2wk3 n HIS 752 N -4.87 0.29 -0.11 0.92 8.25 -0.56 -4.44 115.22 114.69 2wk3 n HIS 752 Ca -0.06 0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2wk3 n HIS 752 Cb 0.16 -0.79 0.00 0.00 1.12 0.00 0.00 29.99 30.48 2wk3 n HIS 752 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wk3 n ALA 753 N -2.40 2.07 -1.93 -1.41 0.00 0.18 -4.86 120.51 112.16 2wk3 n ALA 753 Ca -0.12 -0.35 -0.20 0.00 0.00 0.00 0.00 53.44 52.77 2wk3 n ALA 753 Cb 0.77 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.16 2wk3 n ALA 753 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wk3 n HIS 754 N -0.16 -0.42 -1.70 0.00 -0.00 -0.72 -4.39 115.22 107.83 2wk3 n HIS 754 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.28 2wk3 n HIS 754 Cb 0.03 -3.60 -0.03 0.00 -0.00 0.00 0.00 29.99 26.39 2wk3 n HIS 754 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 2wk3 n THR 755 N -3.11 0.20 -4.48 1.59 -1.04 -1.24 -4.91 114.28 101.30 2wk3 n THR 755 Ca -0.22 -0.05 -0.24 0.00 -2.04 0.00 0.00 64.05 61.50 2wk3 n THR 755 Cb 0.67 -1.79 -0.10 0.00 -1.82 0.00 0.00 70.33 67.29 2wk3 n THR 755 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2wk3 s LYS 756 N 0.75 1.75 0.97 -2.82 3.01 0.09 -4.48 119.74 119.01 2wk3 s LYS 756 Ca 0.74 -1.79 -0.12 0.00 -1.01 0.00 0.00 55.97 53.79 2wk3 s LYS 756 Cb -0.57 -1.78 0.17 0.00 -1.01 0.00 0.00 37.83 34.64 2wk3 s LYS 756 CO 0.38 0.28 1.09 -2.14 0.51 0.00 0.00 175.35 175.47 2wk3 s PRO 757 N -3.55 0.64 0.17 -1.68 0.02 -1.26 -2.64 135.00 126.70 2wk3 s PRO 757 Ca 0.31 0.59 0.03 0.00 0.02 0.00 0.00 61.00 61.95 2wk3 s PRO 757 Cb -0.03 -1.76 -0.03 0.00 0.02 0.00 0.00 34.50 32.70 2wk3 s PRO 757 CO 0.16 -2.60 0.28 -1.17 -0.33 0.00 0.00 177.00 173.33 2wk3 s LEU 758 N -6.39 4.25 0.57 -5.54 2.96 -1.17 -4.63 118.68 108.73 2wk3 s LEU 758 Ca 0.65 0.10 -0.18 0.00 -0.22 0.00 0.00 54.13 54.47 2wk3 s LEU 758 Cb -0.18 -2.81 -0.04 0.00 0.50 0.00 0.00 46.19 43.65 2wk3 s LEU 758 CO 0.57 0.03 1.11 -0.76 -1.32 0.00 0.00 176.35 175.98 2wk3 s LEU 759 N -3.38 3.65 0.20 -0.68 2.01 -1.26 -4.95 118.68 114.26 2wk3 s LEU 759 Ca 0.34 2.08 -0.11 0.00 0.01 0.00 0.00 54.13 56.45 2wk3 s LEU 759 Cb -0.10 -4.57 0.22 0.00 0.01 0.00 0.00 46.19 41.75 2wk3 s LEU 759 CO 0.28 -1.28 1.74 -0.65 1.01 0.00 0.00 176.35 177.45 2wk3 h PRO 760 N 0.87 0.34 0.00 1.29 0.11 -1.99 -2.56 132.00 130.07 2wk3 h PRO 760 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2wk3 h PRO 760 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2wk3 h PRO 760 CO 0.56 0.23 0.00 0.66 -0.21 0.00 0.00 178.00 179.24 2wk3 h SER 761 N 0.35 0.00 1.51 -2.05 4.64 -2.06 -1.12 113.55 114.82 2wk3 h SER 761 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2wk3 h SER 761 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2wk3 h SER 761 CO -0.29 0.00 0.00 -0.61 -0.87 0.00 0.00 176.83 175.06 2wk3 h GLN 762 N 0.00 0.00 -3.79 4.77 4.15 -1.83 -3.39 115.11 115.02 2wk3 h GLN 762 Ca 0.00 0.00 -0.68 0.00 0.77 0.00 0.00 58.65 58.74 2wk3 h GLN 762 Cb 0.48 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 2wk3 h GLN 762 CO 0.00 0.00 3.20 1.28 -1.93 0.00 0.00 178.83 181.38 2wk3 n LEU 763 N -2.38 6.95 -4.55 -2.39 4.77 -0.42 -4.89 117.00 114.09 2wk3 n LEU 763 Ca 0.05 -4.01 -0.42 0.00 -0.03 0.00 0.00 56.01 51.60 2wk3 n LEU 763 Cb 0.43 -1.55 -0.03 0.00 -2.33 0.00 0.00 43.42 39.94 2wk3 n LEU 763 CO 0.30 1.16 1.00 -0.69 -1.33 0.00 0.00 177.39 177.84 2wk3 s VAL 764 N 3.15 4.07 0.47 4.08 1.01 -1.26 -5.06 120.40 126.86 2wk3 s VAL 764 Ca 0.53 0.58 -0.19 0.00 0.00 0.00 0.00 61.98 62.90 2wk3 s VAL 764 Cb 0.15 -4.72 -0.09 0.00 0.00 0.00 0.00 36.38 31.72 2wk3 s VAL 764 CO -0.06 -1.39 0.98 0.00 0.00 0.00 0.00 175.10 174.63 2wk3 s ARG 765 N 4.81 4.03 0.34 2.72 3.03 -1.26 -5.04 118.95 127.58 2wk3 s ARG 765 Ca 0.37 1.10 -0.00 0.00 2.03 0.00 0.00 55.73 59.23 2wk3 s ARG 765 Cb -0.09 -2.15 -0.04 0.00 -1.03 0.00 0.00 34.95 31.65 2wk3 s ARG 765 CO 0.21 -0.21 0.55 0.71 -1.13 0.00 0.00 175.30 175.43 2wk3 s TYR 766 N -2.31 3.50 0.09 5.89 4.12 -1.26 -5.06 117.35 122.32 2wk3 s TYR 766 Ca 0.62 0.40 0.03 0.00 0.02 0.00 0.00 57.07 58.13 2wk3 s TYR 766 Cb -0.11 -1.93 -0.04 0.00 -1.52 0.00 0.00 41.96 38.37 2wk3 s TYR 766 CO 0.21 0.12 0.13 1.03 0.02 0.00 0.00 175.55 177.06 2wk3 s ARG 767 N -4.21 3.05 0.04 -0.62 0.52 -1.26 -4.83 118.95 111.64 2wk3 s ARG 767 Ca 0.41 -0.65 -0.27 0.00 -0.52 0.00 0.00 55.73 54.69 2wk3 s ARG 767 Cb -0.10 -2.80 -0.05 0.00 0.52 0.00 0.00 34.95 32.52 2wk3 s ARG 767 CO 0.35 0.56 0.84 -2.00 0.02 0.00 0.00 175.30 175.08 2wk3 s GLU 768 N -2.57 4.55 0.12 3.54 2.12 -1.26 -1.01 118.70 124.19 2wk3 s GLU 768 Ca 0.31 1.20 -0.34 0.00 0.36 0.00 0.00 54.97 56.50 2wk3 s GLU 768 Cb -0.12 -3.39 -0.18 0.00 0.26 0.00 0.00 34.13 30.70 2wk3 s GLU 768 CO 0.24 0.19 0.91 0.28 -0.54 0.00 0.00 175.26 176.33 2wk3 n VAL 769 N 3.08 0.95 -3.70 3.70 0.31 -0.89 -0.94 118.33 120.84 2wk3 n VAL 769 Ca 0.00 -0.24 -0.38 0.00 -0.01 0.00 0.00 64.34 63.72 2wk3 n VAL 769 Cb 0.50 -0.24 -0.12 0.00 -0.91 0.00 0.00 33.84 33.07 2wk3 n VAL 769 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2wk3 s GLN 770 N -0.47 3.38 0.24 5.55 0.74 0.11 -4.67 119.66 124.54 2wk3 s GLN 770 Ca 0.76 -0.68 -0.24 0.00 0.05 0.00 0.00 55.36 55.26 2wk3 s GLN 770 Cb -1.03 -3.46 -0.09 0.00 1.10 0.00 0.00 33.01 29.53 2wk3 s GLN 770 CO 0.55 -0.36 0.81 -0.51 -0.55 0.00 0.00 175.29 175.24 2wk3 s LEU 771 N 1.59 4.43 0.37 3.68 1.02 -1.26 -4.17 118.68 124.34 2wk3 s LEU 771 Ca 0.05 1.63 -0.25 0.00 0.02 0.00 0.00 54.13 55.58 2wk3 s LEU 771 Cb -0.17 -3.63 -0.10 0.00 0.02 0.00 0.00 46.19 42.32 2wk3 s LEU 771 CO 0.05 0.06 0.98 -2.16 0.02 0.00 0.00 176.35 175.31 2wk3 s PRO 772 N -1.72 4.38 -0.08 1.29 0.04 -1.26 -4.97 135.00 132.69 2wk3 s PRO 772 Ca 0.43 1.37 -0.39 0.00 0.04 0.00 0.00 61.00 62.45 2wk3 s PRO 772 Cb -0.20 -2.61 -0.17 0.00 0.04 0.00 0.00 34.50 31.57 2wk3 s PRO 772 CO 0.24 0.08 1.47 -0.25 0.04 0.00 0.00 177.00 178.58 2wk3 n ASP 773 N 0.14 1.73 -0.25 6.66 10.43 -1.26 -0.91 116.55 133.09 2wk3 n ASP 773 Ca 0.04 1.11 -0.03 0.00 2.57 0.00 0.00 54.79 58.48 2wk3 n ASP 773 Cb 0.50 -1.13 -0.01 0.00 1.84 0.00 0.00 41.12 42.32 2wk3 n ASP 773 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2wk3 n ARG 774 N 3.49 -0.76 -2.82 -1.24 1.74 0.12 -4.91 116.66 112.29 2wk3 n ARG 774 Ca 0.22 0.43 -0.35 0.00 -0.77 0.00 0.00 57.85 57.38 2wk3 n ARG 774 Cb 0.15 -4.16 -0.07 0.00 -1.02 0.00 0.00 32.46 27.36 2wk3 n ARG 774 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2wk3 s GLY 775 N -2.33 2.58 -0.07 -0.13 0.00 -0.09 -4.98 107.32 102.30 2wk3 s GLY 775 Ca 0.00 0.44 -0.02 0.00 0.00 0.00 0.00 44.72 45.14 2wk3 s GLY 775 CO 0.00 0.80 0.03 0.86 0.00 0.00 0.00 173.10 174.79 2wk3 s TRP 776 N -1.90 0.38 0.07 1.90 -0.00 -1.26 -2.36 118.94 115.77 2wk3 s TRP 776 Ca 0.56 -0.00 0.08 0.00 -0.00 0.00 0.00 56.10 56.73 2wk3 s TRP 776 Cb -0.14 -0.66 -0.04 0.00 -0.00 0.00 0.00 33.47 32.64 2wk3 s TRP 776 CO 0.18 -0.28 -0.17 -0.06 -0.00 0.00 0.00 176.95 176.62 2wk3 s PHE 777 N 2.07 2.59 -0.04 5.86 0.40 -0.87 -1.27 117.98 126.70 2wk3 s PHE 777 Ca 0.05 -0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.15 2wk3 s PHE 777 Cb -0.12 -1.42 0.02 0.00 0.51 0.00 0.00 43.02 42.00 2wk3 s PHE 777 CO -0.05 0.33 -0.07 0.08 0.70 0.00 0.00 175.22 176.21 2wk3 s VAL 778 N -1.04 0.67 -0.09 -0.44 1.01 -1.00 -0.74 120.40 118.78 2wk3 s VAL 778 Ca 0.17 -0.22 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 2wk3 s VAL 778 Cb -0.11 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 2wk3 s VAL 778 CO 0.08 0.25 -0.05 -0.47 0.00 0.00 0.00 175.10 174.90 2wk3 s TYR 779 N 0.73 2.98 -0.05 5.22 5.04 -0.55 -0.80 117.35 129.92 2wk3 s TYR 779 Ca -0.11 -0.02 0.02 0.00 -2.44 0.00 0.00 57.07 54.52 2wk3 s TYR 779 Cb -0.14 -1.77 0.01 0.00 0.35 0.00 0.00 41.96 40.42 2wk3 s TYR 779 CO 0.01 0.28 -0.11 -1.14 -1.34 0.00 0.00 175.55 173.25 2wk3 s GLN 780 N -0.59 1.32 0.26 4.97 0.74 -1.26 -0.96 119.66 124.14 2wk3 s GLN 780 Ca 0.09 -0.35 -0.04 0.00 0.05 0.00 0.00 55.36 55.11 2wk3 s GLN 780 Cb -0.12 -1.16 -0.02 0.00 1.10 0.00 0.00 33.01 32.81 2wk3 s GLN 780 CO 0.02 0.07 0.33 -1.14 -0.55 0.00 0.00 175.29 174.02 2wk3 s GLN 781 N 0.46 1.52 -0.06 1.67 2.00 -0.35 -4.98 119.66 119.92 2wk3 s GLN 781 Ca -0.09 -1.58 0.04 0.00 -2.00 0.00 0.00 55.36 51.74 2wk3 s GLN 781 Cb -0.13 0.38 -0.00 0.00 0.80 0.00 0.00 33.01 34.06 2wk3 s GLN 781 CO 0.02 -0.58 -0.19 0.50 -0.50 0.00 0.00 175.29 174.53 2wk3 s ARG 782 N -3.80 2.16 -0.16 1.67 3.52 -1.26 -0.35 118.95 120.73 2wk3 s ARG 782 Ca 0.32 -0.69 -0.29 0.00 -0.13 0.00 0.00 55.73 54.94 2wk3 s ARG 782 Cb 0.03 -1.79 -0.00 0.00 -1.56 0.00 0.00 34.95 31.62 2wk3 s ARG 782 CO 0.14 0.22 1.02 1.21 -0.81 0.00 0.00 175.30 177.09 2wk3 s ASN 783 N 0.16 7.19 0.00 -2.12 2.47 -0.23 -4.90 114.94 117.51 2wk3 s ASN 783 Ca -0.08 1.47 0.20 0.00 0.42 0.00 0.00 52.86 54.87 2wk3 s ASN 783 Cb -0.14 -2.55 0.73 0.00 -1.45 0.00 0.00 41.25 37.84 2wk3 s ASN 783 CO 0.04 -0.54 1.53 -0.62 -3.72 0.00 0.00 177.10 173.79 2wk3 n GLU 784 N 5.54 1.72 0.00 0.43 1.02 -1.26 -2.31 120.64 125.77 2wk3 n GLU 784 Ca 0.10 -1.08 0.00 0.00 -0.02 0.00 0.00 57.16 56.16 2wk3 n GLU 784 Cb 0.48 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 2wk3 n GLU 784 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wk3 n VAL 785 N 0.31 0.00 -3.13 2.62 0.31 -1.26 -4.90 118.33 112.28 2wk3 n VAL 785 Ca 0.16 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 64.10 2wk3 n VAL 785 Cb 0.32 -1.34 -0.05 0.00 -0.91 0.00 0.00 33.84 31.86 2wk3 n VAL 785 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2wk3 s HIS 786 N -1.99 3.53 -0.15 3.52 3.76 -1.26 -4.90 115.29 117.80 2wk3 s HIS 786 Ca 0.00 1.11 -0.00 0.00 -0.15 0.00 0.00 55.06 56.02 2wk3 s HIS 786 Cb 0.00 -2.74 0.10 0.00 1.11 0.00 0.00 32.58 31.06 2wk3 s HIS 786 CO 0.00 0.07 1.98 -1.71 -0.85 0.00 0.00 174.74 174.23 2wk3 n ASN 787 N 3.92 5.78 -4.37 1.40 5.15 -1.26 -1.74 115.26 124.14 2wk3 n ASN 787 Ca -0.03 -2.71 -0.20 0.00 -0.60 0.00 0.00 54.58 51.05 2wk3 n ASN 787 Cb 0.51 -1.08 -0.10 0.00 -0.53 0.00 0.00 39.78 38.58 2wk3 n ASN 787 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2wk3 s ASN 788 N 1.12 2.76 0.30 1.20 -0.87 -1.26 -4.79 114.94 113.40 2wk3 s ASN 788 Ca 0.15 -1.03 0.07 0.00 -1.57 0.00 0.00 52.86 50.47 2wk3 s ASN 788 Cb 0.11 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.25 41.15 2wk3 s ASN 788 CO -0.00 -0.14 0.31 -0.94 -2.57 0.00 0.00 177.10 173.75 2wk3 s SER 789 N -3.36 5.61 0.10 -1.22 1.04 0.18 -3.41 113.70 112.63 2wk3 s SER 789 Ca 0.24 -0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.39 2wk3 s SER 789 Cb -0.01 -1.25 -0.04 0.00 0.10 0.00 0.00 66.02 64.81 2wk3 s SER 789 CO 0.09 -0.24 -0.07 -0.83 0.98 0.00 0.00 173.24 173.16 2wk3 s GLY 790 N -3.98 0.77 -0.09 7.32 0.00 -0.37 -0.79 107.32 110.18 2wk3 s GLY 790 Ca 0.38 -1.33 -0.20 0.00 0.00 0.00 0.00 44.72 43.58 2wk3 s GLY 790 CO 0.27 -1.43 0.47 -1.50 0.00 0.00 0.00 173.10 170.91 2wk3 s ILE 791 N -3.50 0.02 -0.03 0.90 2.07 -0.48 -0.21 121.20 119.97 2wk3 s ILE 791 Ca 0.11 -0.17 0.02 0.00 -1.41 0.00 0.00 60.65 59.20 2wk3 s ILE 791 Cb 0.04 -0.74 0.01 0.00 0.13 0.00 0.00 42.46 41.91 2wk3 s ILE 791 CO -0.04 -0.09 -0.06 -0.70 -1.91 0.00 0.00 174.94 172.13 2wk3 s GLU 792 N -0.65 0.84 -0.13 3.50 2.12 -0.94 -2.06 118.70 121.37 2wk3 s GLU 792 Ca -0.07 -0.20 -0.01 0.00 0.36 0.00 0.00 54.97 55.05 2wk3 s GLU 792 Cb -0.03 -0.80 -0.02 0.00 0.26 0.00 0.00 34.13 33.54 2wk3 s GLU 792 CO 0.04 0.02 -0.11 0.42 -0.54 0.00 0.00 175.26 175.10 2wk3 s ILE 793 N 0.47 3.24 -0.19 -3.70 1.01 -0.23 -0.59 121.20 121.22 2wk3 s ILE 793 Ca -0.07 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.00 2wk3 s ILE 793 Cb -0.10 -2.37 0.03 0.00 0.01 0.00 0.00 42.46 40.03 2wk3 s ILE 793 CO 0.00 0.52 -0.13 -0.47 0.00 0.00 0.00 174.94 174.87 2wk3 s TYR 794 N 0.30 2.47 -0.73 3.97 5.04 0.11 -1.61 117.35 126.89 2wk3 s TYR 794 Ca -0.09 -1.55 -0.15 0.00 -2.44 0.00 0.00 57.07 52.84 2wk3 s TYR 794 Cb -0.15 -1.69 0.18 0.00 0.35 0.00 0.00 41.96 40.65 2wk3 s TYR 794 CO 0.05 -0.74 0.70 0.71 -1.34 0.00 0.00 175.55 174.93 2wk3 s TYR 795 N 1.38 3.54 0.15 4.97 1.51 -0.14 -0.91 117.35 127.85 2wk3 s TYR 795 Ca 0.01 -1.70 -0.30 0.00 -1.01 0.00 0.00 57.07 54.07 2wk3 s TYR 795 Cb -0.15 -3.85 -0.07 0.00 -0.11 0.00 0.00 41.96 37.78 2wk3 s TYR 795 CO -0.09 -1.04 1.19 -1.14 -1.11 0.00 0.00 175.55 173.36 2wk3 s GLN 796 N 0.84 4.48 -0.03 -0.62 0.74 0.57 -1.03 119.66 124.61 2wk3 s GLN 796 Ca 0.14 1.83 -0.03 0.00 0.05 0.00 0.00 55.36 57.35 2wk3 s GLN 796 Cb -0.17 -3.27 -0.01 0.00 1.10 0.00 0.00 33.01 30.66 2wk3 s GLN 796 CO -0.05 -0.12 -0.06 0.25 -0.55 0.00 0.00 175.29 174.76 2wk3 n THR 797 N 2.92 0.28 -3.75 -0.34 -2.24 0.58 -4.21 114.28 107.53 2wk3 n THR 797 Ca 0.06 0.40 -0.03 0.00 -2.27 0.00 0.00 64.05 62.21 2wk3 n THR 797 Cb 0.45 -1.61 0.02 0.00 -2.10 0.00 0.00 70.33 67.08 2wk3 n THR 797 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2wk3 n ASP 798 N -2.85 -1.30 -4.61 3.42 2.03 -1.24 -5.03 116.55 106.98 2wk3 n ASP 798 Ca -0.02 -1.71 -0.38 0.00 0.52 0.00 0.00 54.79 53.19 2wk3 n ASP 798 Cb 0.09 2.12 0.05 0.00 -0.72 0.00 0.00 41.12 42.66 2wk3 n ASP 798 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2wk3 n MET 799 N -0.51 0.91 -1.96 -0.67 2.81 -1.26 -2.85 117.12 113.59 2wk3 n MET 799 Ca -0.02 0.35 -0.38 0.00 -1.81 0.00 0.00 57.70 55.84 2wk3 n MET 799 Cb 0.42 -2.13 0.02 0.00 -0.71 0.00 0.00 33.22 30.82 2wk3 n MET 799 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2wk3 s GLN 800 N -2.66 3.30 -0.19 0.03 -0.21 0.67 -4.81 119.66 115.79 2wk3 s GLN 800 Ca 0.74 2.04 -0.33 0.00 0.02 0.00 0.00 55.36 57.83 2wk3 s GLN 800 Cb -0.43 -2.26 0.14 0.00 1.00 0.00 0.00 33.01 31.47 2wk3 s GLN 800 CO 0.48 -1.00 1.18 -1.54 -2.12 0.00 0.00 175.29 172.29 2wk3 s SER 801 N -1.16 -0.17 0.16 5.90 1.04 -1.26 -4.96 113.70 113.24 2wk3 s SER 801 Ca 0.70 0.05 -0.19 0.00 0.48 0.00 0.00 55.95 56.99 2wk3 s SER 801 Cb -0.35 0.17 0.07 0.00 0.10 0.00 0.00 66.02 66.00 2wk3 s SER 801 CO 0.42 -0.25 1.24 0.41 0.98 0.00 0.00 173.24 176.04 2wk3 n THR 802 N 0.08 -0.48 -0.02 2.02 -1.04 -1.26 0.32 114.28 113.91 2wk3 n THR 802 Ca -0.02 1.91 -0.13 0.00 -2.04 0.00 0.00 64.05 63.77 2wk3 n THR 802 Cb 0.59 -2.44 -0.10 0.00 -1.82 0.00 0.00 70.33 66.55 2wk3 n THR 802 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2wk3 h SER 803 N 0.00 -0.01 0.19 8.00 4.64 -1.98 -2.41 113.55 121.99 2wk3 h SER 803 Ca 0.21 -0.55 -0.05 0.00 -0.47 0.00 0.00 61.79 60.92 2wk3 h SER 803 Cb 0.41 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 2wk3 h SER 803 CO -0.78 0.55 -0.22 -0.08 -0.87 0.00 0.00 176.83 175.44 2wk3 h GLU 804 N -0.57 0.05 -0.16 4.77 4.57 -1.78 -0.69 114.58 120.77 2wk3 h GLU 804 Ca -0.00 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2wk3 h GLU 804 Cb 0.56 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 2wk3 h GLU 804 CO 0.00 0.27 0.10 -0.91 -1.18 0.00 0.00 179.01 177.29 2wk3 h ASN 805 N 0.05 0.20 1.28 1.04 -0.26 -0.08 -2.95 115.58 114.85 2wk3 h ASN 805 Ca 0.01 -0.04 -0.09 0.00 -0.56 0.00 0.00 56.30 55.62 2wk3 h ASN 805 Cb 0.42 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.61 2wk3 h ASN 805 CO 0.03 0.18 -0.75 0.24 -1.06 0.00 0.00 177.43 176.06 2wk3 h MET 806 N 0.20 0.00 0.28 0.81 2.86 -0.87 -0.52 114.93 117.69 2wk3 h MET 806 Ca 0.06 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 2wk3 h MET 806 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 2wk3 h MET 806 CO -0.01 0.30 -0.13 0.74 1.06 0.00 0.00 176.91 178.86 2wk3 h PHE 807 N 0.00 -0.35 -0.06 -0.22 0.05 -1.23 -1.65 116.94 113.49 2wk3 h PHE 807 Ca -0.05 -0.01 -0.00 0.00 3.82 0.00 0.00 57.97 61.73 2wk3 h PHE 807 Cb 1.33 0.11 -0.00 0.00 2.00 0.00 0.00 35.95 39.39 2wk3 h PHE 807 CO 0.00 -0.19 0.02 1.25 -0.18 0.00 0.00 178.31 179.21 2wk3 h LEU 808 N -0.40 0.08 -1.45 1.54 5.85 -1.33 -1.26 115.31 118.33 2wk3 h LEU 808 Ca -0.04 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 2wk3 h LEU 808 Cb 0.31 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2wk3 h LEU 808 CO 0.06 0.22 0.14 -0.33 -0.34 0.00 0.00 178.44 178.19 2wk3 h GLU 809 N -0.07 0.51 -0.07 1.25 5.08 -1.13 0.08 114.58 120.24 2wk3 h GLU 809 Ca 0.02 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 2wk3 h GLU 809 Cb 0.16 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.32 2wk3 h GLU 809 CO -0.00 0.43 -0.43 1.25 -1.00 0.00 0.00 179.01 179.26 2wk3 h LEU 810 N 0.51 0.50 -0.03 1.33 6.46 -0.94 -0.77 115.31 122.36 2wk3 h LEU 810 Ca 0.13 -0.67 0.03 0.00 -0.12 0.00 0.00 57.88 57.25 2wk3 h LEU 810 Cb 0.11 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 39.86 2wk3 h LEU 810 CO -0.01 1.08 -0.14 0.15 -0.62 0.00 0.00 178.44 178.90 2wk3 h PHE 811 N -0.06 -0.36 -0.85 1.25 3.04 -1.03 0.51 116.94 119.43 2wk3 h PHE 811 Ca -0.03 0.01 0.20 0.00 3.98 0.00 0.00 57.97 62.13 2wk3 h PHE 811 Cb 1.09 0.17 -0.12 0.00 2.56 0.00 0.00 35.95 39.65 2wk3 h PHE 811 CO 0.13 -0.21 0.34 0.00 -2.02 0.00 0.00 178.31 176.55 2wk3 h ALA 812 N 0.75 1.30 -0.62 2.41 0.00 -0.87 0.36 119.26 122.59 2wk3 h ALA 812 Ca 0.06 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2wk3 h ALA 812 Cb 0.30 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2wk3 h ALA 812 CO -0.16 -0.32 0.22 0.37 0.00 0.00 0.00 179.25 179.35 2wk3 h GLN 813 N 0.38 0.96 -0.40 0.00 5.75 -0.53 -0.61 115.11 120.66 2wk3 h GLN 813 Ca 0.52 -0.19 -0.13 0.00 -0.15 0.00 0.00 58.65 58.69 2wk3 h GLN 813 Cb 0.94 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.34 2wk3 h GLN 813 CO -0.52 0.83 -0.27 0.82 -2.65 0.00 0.00 178.83 177.05 2wk3 h ILE 814 N 0.89 1.27 -0.01 2.39 2.04 0.19 -2.92 117.51 121.36 2wk3 h ILE 814 Ca 0.20 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.65 2wk3 h ILE 814 Cb 0.26 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 2wk3 h ILE 814 CO -0.01 0.47 -0.22 2.30 0.00 0.00 0.00 178.15 180.69 2wk3 n ILE 815 N -4.09 0.00 0.35 -0.67 -5.35 -0.04 -4.57 119.36 104.99 2wk3 n ILE 815 Ca -0.00 -0.16 -0.16 0.00 -0.27 0.00 0.00 62.75 62.16 2wk3 n ILE 815 Cb 0.47 0.45 -0.08 0.00 -1.74 0.00 0.00 39.64 38.74 2wk3 n ILE 815 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2wk3 h SER 816 N 1.46 -1.04 0.59 7.28 0.87 -0.90 0.12 113.55 121.93 2wk3 h SER 816 Ca 0.00 0.06 -0.21 0.00 -1.23 0.00 0.00 61.79 60.41 2wk3 h SER 816 Cb 0.52 0.31 -0.01 0.00 -0.44 0.00 0.00 62.40 62.78 2wk3 h SER 816 CO 0.00 -0.62 -0.92 1.05 -0.53 0.00 0.00 176.83 175.80 2wk3 h GLU 817 N -1.00 0.21 -0.65 2.24 -0.00 -1.80 -2.95 114.58 110.62 2wk3 h GLU 817 Ca -0.09 -0.24 0.13 0.00 -0.00 0.00 0.00 59.36 59.16 2wk3 h GLU 817 Cb 0.80 0.07 -0.04 0.00 -0.00 0.00 0.00 28.75 29.59 2wk3 h GLU 817 CO 0.08 0.99 0.44 -1.35 -0.00 0.00 0.00 179.01 179.17 2wk3 h PRO 818 N 0.11 0.34 -0.43 1.06 0.11 -1.79 0.38 132.00 131.78 2wk3 h PRO 818 Ca -0.05 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.96 2wk3 h PRO 818 Cb 1.57 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.59 2wk3 h PRO 818 CO 0.14 0.23 -0.04 0.00 -0.21 0.00 0.00 178.00 178.12 2wk3 h ALA 819 N 1.68 0.58 -0.23 -0.75 0.00 -0.58 0.13 119.26 120.09 2wk3 h ALA 819 Ca 0.31 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 2wk3 h ALA 819 Cb 0.73 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2wk3 h ALA 819 CO -0.08 0.41 -0.47 0.35 0.00 0.00 0.00 179.25 179.46 2wk3 h PHE 820 N 0.62 0.92 -0.61 0.00 3.57 -1.36 -0.09 116.94 119.99 2wk3 h PHE 820 Ca 0.12 -0.34 -0.08 0.00 3.53 0.00 0.00 57.97 61.20 2wk3 h PHE 820 Cb 0.55 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 2wk3 h PHE 820 CO 0.04 1.13 0.08 -0.97 -2.23 0.00 0.00 178.31 176.36 2wk3 h ASN 821 N 0.46 0.97 0.01 0.41 -0.00 -0.08 -1.73 115.58 115.61 2wk3 h ASN 821 Ca 0.01 -0.23 -0.00 0.00 -0.00 0.00 0.00 56.30 56.08 2wk3 h ASN 821 Cb 1.08 -0.26 0.00 0.00 -0.00 0.00 0.00 38.32 39.14 2wk3 h ASN 821 CO 0.10 0.98 -0.00 0.74 -0.00 0.00 0.00 177.43 179.25 2wk3 h THR 822 N 0.95 1.13 -0.00 -3.57 2.02 -0.59 0.21 112.91 113.05 2wk3 h THR 822 Ca 0.19 -1.81 -0.14 0.00 0.77 0.00 0.00 66.41 65.42 2wk3 h THR 822 Cb 0.44 2.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 2wk3 h THR 822 CO 0.01 0.38 -0.65 -0.07 0.37 0.00 0.00 175.52 175.56 2wk3 h LEU 823 N -0.99 0.00 0.00 2.58 4.07 -1.09 0.10 115.31 119.99 2wk3 h LEU 823 Ca -0.00 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2wk3 h LEU 823 Cb 0.63 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.37 2wk3 h LEU 823 CO 0.00 0.66 0.00 -1.14 -1.08 0.00 0.00 178.44 176.88 2wk3 n ARG 824 N -3.76 0.00 -0.06 1.13 0.63 -0.71 -1.01 116.66 112.88 2wk3 n ARG 824 Ca -0.01 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.82 2wk3 n ARG 824 Cb 0.65 -0.28 -0.04 0.00 0.45 0.00 0.00 32.46 33.24 2wk3 n ARG 824 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 2wk3 h THR 825 N 0.00 0.20 0.43 5.15 2.02 -1.25 1.58 112.91 121.04 2wk3 h THR 825 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2wk3 h THR 825 Cb 0.00 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 2wk3 h THR 825 CO 0.00 0.00 -0.21 0.11 0.37 0.00 0.00 175.52 175.79 2wk3 h LYS 826 N -0.36 -0.55 0.00 6.66 1.57 -0.58 -3.39 116.57 119.92 2wk3 h LYS 826 Ca 0.12 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2wk3 h LYS 826 Cb 0.57 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2wk3 h LYS 826 CO -0.46 -0.31 -0.90 0.39 -0.57 0.00 0.00 179.45 177.60 2wk3 n GLU 827 N -5.16 0.35 -3.71 3.15 1.02 0.35 -4.96 120.64 111.67 2wk3 n GLU 827 Ca -0.08 0.04 -0.22 0.00 -0.02 0.00 0.00 57.16 56.88 2wk3 n GLU 827 Cb 0.26 -1.66 0.03 0.00 -0.02 0.00 0.00 31.44 30.05 2wk3 n GLU 827 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2wk3 n GLN 828 N -2.13 -4.61 0.11 3.49 1.13 0.54 -4.90 117.38 111.01 2wk3 n GLN 828 Ca 0.02 0.60 0.00 0.00 -1.94 0.00 0.00 57.00 55.68 2wk3 n GLN 828 Cb 0.46 -5.10 0.30 0.00 0.11 0.00 0.00 30.24 26.01 2wk3 n GLN 828 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2wk3 h LEU 829 N -1.85 0.23 0.00 1.08 3.38 -1.23 -3.48 115.31 113.43 2wk3 h LEU 829 Ca -0.61 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.28 2wk3 h LEU 829 Cb 1.36 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2wk3 h LEU 829 CO 0.56 0.51 0.00 0.61 0.09 0.00 0.00 178.44 180.22 2wk3 n GLY 830 N -0.51 0.82 0.29 0.83 0.00 -1.26 -4.18 105.19 101.19 2wk3 n GLY 830 Ca -0.01 -0.90 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 2wk3 n GLY 830 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2wk3 h TYR 831 N 0.00 1.06 -3.61 1.61 3.20 -1.80 -3.41 116.97 114.03 2wk3 h TYR 831 Ca 0.00 -0.20 -0.64 0.00 3.14 0.00 0.00 58.73 61.03 2wk3 h TYR 831 Cb 0.00 -0.27 -0.14 0.00 1.54 0.00 0.00 36.73 37.85 2wk3 h TYR 831 CO 0.00 0.98 -0.04 0.42 -1.64 0.00 0.00 178.16 177.88 2wk3 s ILE 832 N -4.89 5.03 -0.11 1.81 1.01 -1.26 -5.00 121.20 117.79 2wk3 s ILE 832 Ca -0.11 0.50 -0.04 0.00 0.00 0.00 0.00 60.65 61.00 2wk3 s ILE 832 Cb 0.13 -3.92 0.06 0.00 0.01 0.00 0.00 42.46 38.74 2wk3 s ILE 832 CO 0.85 -0.12 0.19 -0.69 0.00 0.00 0.00 174.94 175.17 2wk3 s VAL 833 N 2.37 -0.31 0.04 2.92 1.01 -1.26 -2.10 120.40 123.06 2wk3 s VAL 833 Ca 0.19 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.49 2wk3 s VAL 833 Cb -0.15 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 2wk3 s VAL 833 CO 0.12 0.11 -0.09 0.12 0.00 0.00 0.00 175.10 175.36 2wk3 s PHE 834 N 2.33 0.78 0.09 5.22 5.36 0.11 -4.89 117.98 126.98 2wk3 s PHE 834 Ca 0.03 -0.41 -0.03 0.00 -0.96 0.00 0.00 56.93 55.56 2wk3 s PHE 834 Cb -0.12 -0.46 -0.03 0.00 -0.34 0.00 0.00 43.02 42.06 2wk3 s PHE 834 CO -0.07 -0.04 0.06 -1.54 -1.46 0.00 0.00 175.22 172.17 2wk3 s SER 835 N -1.31 0.34 0.00 6.13 1.04 -1.26 -1.33 113.70 117.31 2wk3 s SER 835 Ca -0.06 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.38 2wk3 s SER 835 Cb -0.08 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.31 2wk3 s SER 835 CO 0.01 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.15 2wk3 n GLY 836 N -0.01 0.42 3.77 7.32 0.00 -0.68 -4.98 105.19 111.03 2wk3 n GLY 836 Ca -0.11 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 2wk3 n GLY 836 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wk3 s PRO 837 N -1.64 3.99 -0.16 1.61 0.02 -1.26 -0.57 135.00 136.98 2wk3 s PRO 837 Ca 0.00 1.93 -0.01 0.00 0.02 0.00 0.00 61.00 62.93 2wk3 s PRO 837 Cb 0.00 -2.67 -0.01 0.00 0.02 0.00 0.00 34.50 31.84 2wk3 s PRO 837 CO 0.00 -0.40 -0.10 0.50 -0.33 0.00 0.00 177.00 176.67 2wk3 s ARG 838 N -2.32 3.39 -0.17 5.54 3.52 0.18 -4.79 118.95 124.31 2wk3 s ARG 838 Ca 0.58 -0.66 0.01 0.00 -0.13 0.00 0.00 55.73 55.53 2wk3 s ARG 838 Cb -0.33 -2.76 0.01 0.00 -1.56 0.00 0.00 34.95 30.31 2wk3 s ARG 838 CO 0.41 0.08 -0.19 1.03 -0.81 0.00 0.00 175.30 175.83 2wk3 s ARG 839 N 0.71 3.06 -0.13 5.12 3.00 -1.26 -2.06 118.95 127.38 2wk3 s ARG 839 Ca -0.05 -0.81 -0.12 0.00 0.00 0.00 0.00 55.73 54.75 2wk3 s ARG 839 Cb -0.15 -2.57 0.04 0.00 0.00 0.00 0.00 34.95 32.26 2wk3 s ARG 839 CO 0.02 -0.12 0.35 0.00 0.00 0.00 0.00 175.30 175.55 2wk3 s ALA 840 N 1.09 -0.86 -1.48 2.13 0.00 -0.60 -4.94 121.76 117.10 2wk3 s ALA 840 Ca -0.00 1.01 -0.01 0.00 0.00 0.00 0.00 51.96 52.95 2wk3 s ALA 840 Cb -0.14 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.39 2wk3 s ALA 840 CO -0.07 -0.17 0.10 0.09 0.00 0.00 0.00 175.76 175.71 2wk3 n ASN 841 N 2.99 -5.12 0.00 0.00 3.02 -1.26 0.19 115.26 115.07 2wk3 n ASN 841 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 2wk3 n ASN 841 Cb 0.57 -4.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.47 2wk3 n ASN 841 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wk3 n GLY 842 N -1.01 1.69 3.92 7.41 0.00 -1.26 -4.42 105.19 111.52 2wk3 n GLY 842 Ca -0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 2wk3 n GLY 842 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wk3 s ILE 843 N -2.43 2.41 0.36 -0.61 -1.09 0.13 -0.24 121.20 119.73 2wk3 s ILE 843 Ca 0.00 -1.29 -0.17 0.00 -2.23 0.00 0.00 60.65 56.96 2wk3 s ILE 843 Cb 0.00 -2.70 0.05 0.00 -1.58 0.00 0.00 42.46 38.23 2wk3 s ILE 843 CO 0.00 0.00 0.79 0.00 -1.23 0.00 0.00 174.94 174.50 2wk3 s GLN 844 N -4.26 2.10 0.00 2.79 -2.07 -1.13 -1.56 119.66 115.53 2wk3 s GLN 844 Ca 0.48 -1.32 0.00 0.00 -1.82 0.00 0.00 55.36 52.69 2wk3 s GLN 844 Cb -0.04 0.61 0.00 0.00 -1.09 0.00 0.00 33.01 32.49 2wk3 s GLN 844 CO 0.29 -0.98 0.00 0.41 -1.32 0.00 0.00 175.29 173.68 2wk3 n GLY 845 N -0.53 -0.70 3.46 2.60 0.00 -0.88 -0.31 105.19 108.84 2wk3 n GLY 845 Ca -0.07 -1.23 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 2wk3 n GLY 845 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wk3 s LEU 846 N 0.00 2.84 0.10 0.99 1.98 -0.20 0.48 118.68 124.87 2wk3 s LEU 846 Ca 0.00 -0.20 0.06 0.00 -2.89 0.00 0.00 54.13 51.10 2wk3 s LEU 846 Cb 0.00 -1.61 -0.03 0.00 0.66 0.00 0.00 46.19 45.21 2wk3 s LEU 846 CO 0.00 0.28 -0.16 0.00 -1.89 0.00 0.00 176.35 174.58 2wk3 s ARG 847 N -0.35 0.98 -0.02 1.98 1.70 0.26 -0.97 118.95 122.54 2wk3 s ARG 847 Ca 0.04 -1.12 0.04 0.00 -0.47 0.00 0.00 55.73 54.23 2wk3 s ARG 847 Cb -0.12 -1.02 -0.01 0.00 -0.57 0.00 0.00 34.95 33.23 2wk3 s ARG 847 CO 0.02 0.22 -0.15 -0.06 -1.08 0.00 0.00 175.30 174.25 2wk3 s PHE 848 N -1.55 1.42 -0.03 5.89 0.40 -0.63 -1.69 117.98 121.80 2wk3 s PHE 848 Ca 0.04 -0.31 0.05 0.00 -0.60 0.00 0.00 56.93 56.10 2wk3 s PHE 848 Cb -0.08 -0.94 -0.01 0.00 0.51 0.00 0.00 43.02 42.51 2wk3 s PHE 848 CO 0.03 -0.07 -0.17 0.42 0.70 0.00 0.00 175.22 176.14 2wk3 s ILE 849 N -0.21 1.38 -0.04 0.64 1.01 -0.44 -1.06 121.20 122.47 2wk3 s ILE 849 Ca 0.03 -0.71 -0.08 0.00 0.00 0.00 0.00 60.65 59.89 2wk3 s ILE 849 Cb -0.08 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.24 2wk3 s ILE 849 CO 0.00 0.40 0.19 -0.63 0.00 0.00 0.00 174.94 174.89 2wk3 s ILE 850 N -0.10 0.04 -0.04 2.92 1.01 -0.87 -0.71 121.20 123.45 2wk3 s ILE 850 Ca -0.00 -0.31 0.06 0.00 0.00 0.00 0.00 60.65 60.40 2wk3 s ILE 850 Cb -0.10 -0.37 -0.01 0.00 0.01 0.00 0.00 42.46 41.99 2wk3 s ILE 850 CO 0.01 -0.17 -0.21 -1.58 0.00 0.00 0.00 174.94 173.00 2wk3 s GLN 851 N -0.59 1.94 0.07 2.79 0.74 -0.89 -1.38 119.66 122.33 2wk3 s GLN 851 Ca -0.07 -0.74 -0.26 0.00 0.05 0.00 0.00 55.36 54.34 2wk3 s GLN 851 Cb -0.04 -1.74 0.09 0.00 1.10 0.00 0.00 33.01 32.42 2wk3 s GLN 851 CO 0.01 0.36 0.77 0.45 -0.55 0.00 0.00 175.29 176.34 2wk3 s SER 852 N -0.23 -0.44 0.30 6.67 0.15 0.03 -4.07 113.70 116.11 2wk3 s SER 852 Ca 0.01 -0.02 0.20 0.00 0.70 0.00 0.00 55.95 56.85 2wk3 s SER 852 Cb -0.11 0.48 0.14 0.00 -1.71 0.00 0.00 66.02 64.82 2wk3 s SER 852 CO 0.01 -0.78 1.35 -0.08 1.20 0.00 0.00 173.24 174.94 2wk3 h GLU 853 N 2.00 0.00 -6.92 5.44 4.81 -1.85 0.51 114.58 118.57 2wk3 h GLU 853 Ca -0.27 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.45 2wk3 h GLU 853 Cb 1.27 0.00 0.06 0.00 0.63 0.00 0.00 28.75 30.71 2wk3 h GLU 853 CO 0.33 0.15 0.55 0.15 -0.73 0.00 0.00 179.01 179.46 2wk3 s LYS 854 N -3.16 4.13 0.41 1.92 3.01 -1.26 -4.75 119.74 120.03 2wk3 s LYS 854 Ca 0.03 1.98 -0.27 0.00 -1.01 0.00 0.00 55.97 56.70 2wk3 s LYS 854 Cb 0.07 -2.80 -0.10 0.00 -1.01 0.00 0.00 37.83 33.99 2wk3 s LYS 854 CO 0.73 -0.30 1.48 -1.25 0.51 0.00 0.00 175.35 176.52 2wk3 s PRO 855 N -2.13 3.93 0.26 -1.68 0.04 -1.26 -4.63 135.00 129.54 2wk3 s PRO 855 Ca 0.55 2.55 -0.01 0.00 0.04 0.00 0.00 61.00 64.12 2wk3 s PRO 855 Cb -0.34 -2.84 0.52 0.00 0.04 0.00 0.00 34.50 31.87 2wk3 s PRO 855 CO 0.44 -0.67 1.79 -1.35 0.04 0.00 0.00 177.00 177.25 2wk3 h PRO 856 N 2.72 0.72 -1.03 0.56 0.11 -1.90 -0.37 132.00 132.82 2wk3 h PRO 856 Ca -0.51 -0.04 0.27 0.00 0.11 0.00 0.00 66.00 65.83 2wk3 h PRO 856 Cb 1.25 -0.16 -0.12 0.00 0.11 0.00 0.00 31.00 32.08 2wk3 h PRO 856 CO 0.63 0.48 0.63 1.12 -0.21 0.00 0.00 178.00 180.65 2wk3 h HIS 857 N 0.74 0.86 -0.03 0.65 2.07 -1.99 0.10 115.15 117.56 2wk3 h HIS 857 Ca 0.46 0.03 -0.03 0.00 -2.85 0.00 0.00 60.37 57.99 2wk3 h HIS 857 Cb 0.57 -0.24 0.00 0.00 2.57 0.00 0.00 27.41 30.31 2wk3 h HIS 857 CO -0.06 0.01 -0.09 -0.92 -3.07 0.00 0.00 177.93 173.80 2wk3 h TYR 858 N 0.46 0.14 -0.97 6.12 3.20 -1.46 -2.89 116.97 121.57 2wk3 h TYR 858 Ca 0.65 -0.06 0.22 0.00 3.14 0.00 0.00 58.73 62.69 2wk3 h TYR 858 Cb 1.46 -0.02 -0.12 0.00 1.54 0.00 0.00 36.73 39.59 2wk3 h TYR 858 CO -0.01 0.72 0.55 -0.07 -1.64 0.00 0.00 178.16 177.71 2wk3 h LEU 859 N -0.48 0.62 0.00 2.82 4.07 -0.48 -1.94 115.31 119.92 2wk3 h LEU 859 Ca -0.00 0.13 -0.00 0.00 0.08 0.00 0.00 57.88 58.08 2wk3 h LEU 859 Cb 0.73 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.50 2wk3 h LEU 859 CO 0.02 0.13 -0.00 -0.08 -1.08 0.00 0.00 178.44 177.43 2wk3 h GLU 860 N 0.59 -0.00 -0.70 1.13 4.57 -0.77 -0.93 114.58 118.47 2wk3 h GLU 860 Ca 0.60 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.85 2wk3 h GLU 860 Cb 1.08 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.61 2wk3 h GLU 860 CO -0.46 0.14 0.39 0.66 -1.18 0.00 0.00 179.01 178.57 2wk3 h SER 861 N -0.14 0.58 -0.43 1.04 4.64 -1.18 -1.77 113.55 116.29 2wk3 h SER 861 Ca -0.00 0.03 0.05 0.00 -0.47 0.00 0.00 61.79 61.41 2wk3 h SER 861 Cb 0.14 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 62.11 2wk3 h SER 861 CO 0.00 0.36 0.16 0.03 -0.87 0.00 0.00 176.83 176.51 2wk3 h ARG 862 N 0.71 0.32 -0.71 4.77 2.47 -0.76 0.21 114.38 121.39 2wk3 h ARG 862 Ca 0.32 -0.02 0.06 0.00 -1.26 0.00 0.00 59.98 59.08 2wk3 h ARG 862 Cb 0.22 -0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 28.41 2wk3 h ARG 862 CO -0.20 0.21 0.40 0.28 0.56 0.00 0.00 179.97 181.23 2wk3 h VAL 863 N 0.33 0.98 -0.56 2.04 2.07 -0.94 0.81 116.25 120.98 2wk3 h VAL 863 Ca 0.20 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 2wk3 h VAL 863 Cb 0.18 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 2wk3 h VAL 863 CO -0.20 0.13 0.07 -0.33 0.02 0.00 0.00 177.57 177.27 2wk3 h GLU 864 N 0.74 0.94 -0.71 1.57 4.39 -0.63 -0.93 114.58 119.94 2wk3 h GLU 864 Ca 0.32 -0.26 0.02 0.00 0.34 0.00 0.00 59.36 59.78 2wk3 h GLU 864 Cb 0.19 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 2wk3 h GLU 864 CO -0.18 0.91 0.45 0.00 -1.16 0.00 0.00 179.01 179.03 2wk3 h ALA 865 N 0.99 0.92 -0.45 3.43 0.00 -0.11 -1.26 119.26 122.78 2wk3 h ALA 865 Ca 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2wk3 h ALA 865 Cb 0.44 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2wk3 h ALA 865 CO 0.01 0.26 0.16 0.35 0.00 0.00 0.00 179.25 180.03 2wk3 h PHE 866 N 0.90 0.64 -0.47 0.00 3.57 -0.50 -2.06 116.94 119.02 2wk3 h PHE 866 Ca 0.28 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 2wk3 h PHE 866 Cb -0.03 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 2wk3 h PHE 866 CO -0.03 0.51 0.04 -0.07 -2.23 0.00 0.00 178.31 176.53 2wk3 h LEU 867 N 0.63 0.70 -0.08 0.59 4.07 0.04 0.22 115.31 121.48 2wk3 h LEU 867 Ca 0.15 -0.14 -0.04 0.00 0.08 0.00 0.00 57.88 57.93 2wk3 h LEU 867 Cb 0.16 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 41.71 2wk3 h LEU 867 CO -0.01 0.74 -0.12 0.40 -1.08 0.00 0.00 178.44 178.36 2wk3 h ILE 868 N 0.70 1.39 -0.81 1.22 2.04 -1.11 -0.98 117.51 119.96 2wk3 h ILE 868 Ca 0.15 -1.37 0.17 0.00 1.00 0.00 0.00 64.86 64.80 2wk3 h ILE 868 Cb 0.37 2.12 -0.10 0.00 -0.74 0.00 0.00 36.82 38.46 2wk3 h ILE 868 CO 0.01 0.38 0.35 0.74 0.00 0.00 0.00 178.15 179.63 2wk3 h THR 869 N -0.24 0.61 -0.78 -0.27 2.02 -1.24 -1.05 112.91 111.96 2wk3 h THR 869 Ca 0.01 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.03 2wk3 h THR 869 Cb 0.68 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 2wk3 h THR 869 CO 0.03 0.08 0.50 0.24 0.37 0.00 0.00 175.52 176.74 2wk3 h MET 870 N 0.46 1.03 0.21 6.66 2.86 -0.17 -1.01 114.93 124.97 2wk3 h MET 870 Ca 0.47 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 58.02 2wk3 h MET 870 Cb 0.76 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2wk3 h MET 870 CO -0.44 0.70 -0.10 1.49 1.06 0.00 0.00 176.91 179.62 2wk3 h GLU 871 N 1.06 -0.27 -0.93 1.72 4.81 -0.21 -1.29 114.58 119.47 2wk3 h GLU 871 Ca 0.28 0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.69 2wk3 h GLU 871 Cb -0.10 0.06 -0.10 0.00 0.63 0.00 0.00 28.75 29.24 2wk3 h GLU 871 CO -0.06 -0.04 0.53 -0.22 -0.73 0.00 0.00 179.01 178.49 2wk3 h LYS 872 N -0.47 0.70 -0.49 1.92 3.64 -1.17 -1.80 116.57 118.90 2wk3 h LYS 872 Ca -0.03 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.20 2wk3 h LYS 872 Cb 0.36 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2wk3 h LYS 872 CO 0.05 0.46 -0.13 1.03 -2.27 0.00 0.00 179.45 178.59 2wk3 h SER 873 N 0.72 0.92 -0.64 4.20 0.87 -0.52 -2.47 113.55 116.64 2wk3 h SER 873 Ca 0.52 -0.30 -0.08 0.00 -1.23 0.00 0.00 61.79 60.70 2wk3 h SER 873 Cb 0.75 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 2wk3 h SER 873 CO -0.36 1.05 0.09 0.40 -0.53 0.00 0.00 176.83 177.48 2wk3 h ILE 874 N 0.82 1.26 -0.40 2.23 2.04 -0.43 -1.83 117.51 121.21 2wk3 h ILE 874 Ca 0.13 -1.03 0.06 0.00 1.00 0.00 0.00 64.86 65.01 2wk3 h ILE 874 Cb 0.67 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 2wk3 h ILE 874 CO 0.05 0.38 0.27 -0.33 0.00 0.00 0.00 178.15 178.52 2wk3 h GLU 875 N 0.98 0.28 -0.01 2.37 5.08 -1.19 -2.92 114.58 119.17 2wk3 h GLU 875 Ca 0.19 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2wk3 h GLU 875 Cb 0.45 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2wk3 h GLU 875 CO 0.01 0.19 -0.65 -0.25 -1.00 0.00 0.00 179.01 177.31 2wk3 n ASP 876 N -4.48 1.39 -4.80 1.42 8.00 -0.95 -4.95 116.55 112.19 2wk3 n ASP 876 Ca 0.05 -1.14 -0.35 0.00 0.71 0.00 0.00 54.79 54.06 2wk3 n ASP 876 Cb 0.25 0.61 -0.06 0.00 -0.02 0.00 0.00 41.12 41.90 2wk3 n ASP 876 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wk3 s MET 877 N -2.72 4.38 0.59 -1.24 0.23 -0.71 -5.02 119.30 114.80 2wk3 s MET 877 Ca 0.15 1.25 -0.16 0.00 -1.03 0.00 0.00 55.69 55.89 2wk3 s MET 877 Cb 0.17 -2.49 -0.04 0.00 -1.53 0.00 0.00 34.83 30.95 2wk3 s MET 877 CO 0.69 0.10 1.07 0.95 -2.03 0.00 0.00 175.02 175.80 2wk3 s THR 878 N -1.88 3.64 0.44 3.16 -4.23 -1.26 -4.89 115.64 110.61 2wk3 s THR 878 Ca 0.56 0.82 0.15 0.00 -1.18 0.00 0.00 61.69 62.04 2wk3 s THR 878 Cb -0.14 -3.33 0.34 0.00 1.34 0.00 0.00 72.50 70.71 2wk3 s THR 878 CO 0.19 -0.41 1.97 -0.08 -0.54 0.00 0.00 174.62 175.75 2wk3 h GLU 879 N 0.56 0.37 0.03 3.99 4.57 -1.99 -1.26 114.58 120.85 2wk3 h GLU 879 Ca -0.47 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 57.68 2wk3 h GLU 879 Cb 1.23 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 2wk3 h GLU 879 CO 0.57 0.25 -0.01 1.49 -1.18 0.00 0.00 179.01 180.12 2wk3 h GLU 880 N 0.38 -0.03 -0.17 1.92 4.81 -1.99 -1.83 114.58 117.67 2wk3 h GLU 880 Ca 0.30 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.57 2wk3 h GLU 880 Cb 0.64 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.99 2wk3 h GLU 880 CO -0.08 0.11 -0.07 0.00 -0.73 0.00 0.00 179.01 178.24 2wk3 h ALA 881 N 0.80 0.07 -0.82 2.92 0.00 -1.69 -1.21 119.26 119.33 2wk3 h ALA 881 Ca -0.00 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.08 2wk3 h ALA 881 Cb 0.16 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 2wk3 h ALA 881 CO 0.01 -0.51 0.45 0.35 0.00 0.00 0.00 179.25 179.55 2wk3 h PHE 882 N -0.05 0.82 0.00 0.00 3.57 -1.14 -0.16 116.94 119.97 2wk3 h PHE 882 Ca 0.09 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 2wk3 h PHE 882 Cb 0.18 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 2wk3 h PHE 882 CO -0.22 0.30 -0.32 1.96 -2.23 0.00 0.00 178.31 177.80 2wk3 h GLN 883 N 0.74 0.00 -0.88 1.11 1.08 -0.90 -1.58 115.11 114.68 2wk3 h GLN 883 Ca 0.41 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.61 2wk3 h GLN 883 Cb 0.43 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.81 2wk3 h GLN 883 CO -0.27 0.32 0.55 0.87 -0.95 0.00 0.00 178.83 179.35 2wk3 h LYS 884 N 0.00 1.19 -0.21 1.46 1.57 0.18 -1.14 116.57 119.62 2wk3 h LYS 884 Ca -0.00 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.57 2wk3 h LYS 884 Cb 0.89 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 2wk3 h LYS 884 CO 0.04 0.82 -0.29 0.45 -0.57 0.00 0.00 179.45 179.90 2wk3 h HIS 885 N 1.21 0.69 -0.76 -1.35 3.86 -0.83 -0.87 115.15 117.10 2wk3 h HIS 885 Ca 0.32 -0.23 0.08 0.00 -1.16 0.00 0.00 60.37 59.38 2wk3 h HIS 885 Cb -0.07 -0.14 -0.07 0.00 1.06 0.00 0.00 27.41 28.19 2wk3 h HIS 885 CO -0.00 0.94 0.42 0.82 0.86 0.00 0.00 177.93 180.97 2wk3 h ILE 886 N 0.24 0.92 -0.24 2.45 2.04 -1.18 -0.39 117.51 121.35 2wk3 h ILE 886 Ca 0.02 -0.25 -0.12 0.00 1.00 0.00 0.00 64.86 65.51 2wk3 h ILE 886 Cb 0.87 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2wk3 h ILE 886 CO 0.07 0.13 -0.37 -0.61 0.00 0.00 0.00 178.15 177.37 2wk3 h GLN 887 N 0.73 0.54 -0.03 2.37 5.75 -0.98 0.30 115.11 123.78 2wk3 h GLN 887 Ca 0.36 -0.26 -0.05 0.00 -0.15 0.00 0.00 58.65 58.55 2wk3 h GLN 887 Cb 0.30 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.84 2wk3 h GLN 887 CO -0.23 0.82 -0.18 0.00 -2.65 0.00 0.00 178.83 176.60 2wk3 h ALA 888 N 1.15 0.06 -0.69 3.38 0.00 -0.49 -0.55 119.26 122.11 2wk3 h ALA 888 Ca 0.05 -0.40 0.05 0.00 0.00 0.00 0.00 54.91 54.61 2wk3 h ALA 888 Cb 0.85 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 2wk3 h ALA 888 CO 0.07 0.03 0.40 1.25 0.00 0.00 0.00 179.25 181.01 2wk3 h LEU 889 N -0.41 0.62 -0.41 0.00 6.46 -0.89 -1.31 115.31 119.37 2wk3 h LEU 889 Ca -0.01 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.80 2wk3 h LEU 889 Cb 0.85 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.64 2wk3 h LEU 889 CO 0.04 0.41 0.22 0.00 -0.62 0.00 0.00 178.44 178.48 2wk3 h ALA 890 N 1.34 0.52 -0.57 1.25 0.00 -0.12 -1.33 119.26 120.36 2wk3 h ALA 890 Ca 0.30 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 2wk3 h ALA 890 Cb 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2wk3 h ALA 890 CO -0.16 -0.13 0.16 0.82 0.00 0.00 0.00 179.25 179.94 2wk3 h ILE 891 N 0.44 1.22 -0.79 0.00 1.08 -0.42 -1.80 117.51 117.24 2wk3 h ILE 891 Ca 0.17 -0.78 -0.05 0.00 -0.39 0.00 0.00 64.86 63.81 2wk3 h ILE 891 Cb 0.06 0.62 -0.03 0.00 -3.07 0.00 0.00 36.82 34.40 2wk3 h ILE 891 CO -0.11 0.30 0.31 -0.09 -0.69 0.00 0.00 178.15 177.86 2wk3 h ARG 892 N 0.83 1.19 0.00 2.37 2.43 -0.38 0.57 114.38 121.40 2wk3 h ARG 892 Ca 0.19 -0.22 -0.15 0.00 -0.81 0.00 0.00 59.98 58.98 2wk3 h ARG 892 Cb 0.26 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2wk3 h ARG 892 CO -0.01 0.97 -1.05 0.00 -1.51 0.00 0.00 179.97 178.37 2wk3 h ARG 893 N 1.16 0.00 0.00 0.20 2.47 -0.85 -3.25 114.38 114.11 2wk3 h ARG 893 Ca 0.26 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.98 2wk3 h ARG 893 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 2wk3 h ARG 893 CO -0.02 0.44 -0.82 1.28 0.56 0.00 0.00 179.97 181.40 2wk3 n LEU 894 N -3.06 0.66 -4.69 3.04 4.77 -0.72 -4.90 117.00 112.10 2wk3 n LEU 894 Ca -0.05 -0.11 -0.58 0.00 -0.03 0.00 0.00 56.01 55.24 2wk3 n LEU 894 Cb 0.82 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.70 2wk3 n LEU 894 CO 0.42 0.12 1.23 -0.67 -1.33 0.00 0.00 177.39 177.16 2wk3 n ASP 895 N -1.70 2.11 -4.76 -1.43 2.03 0.17 -4.86 116.55 108.11 2wk3 n ASP 895 Ca 0.04 1.09 -0.40 0.00 0.52 0.00 0.00 54.79 56.04 2wk3 n ASP 895 Cb 0.38 -1.12 -0.05 0.00 -0.72 0.00 0.00 41.12 39.61 2wk3 n ASP 895 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2wk3 s LYS 896 N 2.95 4.69 0.17 -0.67 1.02 -1.26 -5.00 119.74 121.65 2wk3 s LYS 896 Ca 0.97 1.71 -0.33 0.00 0.02 0.00 0.00 55.97 58.34 2wk3 s LYS 896 Cb -1.10 -3.20 -0.14 0.00 -0.52 0.00 0.00 37.83 32.87 2wk3 s LYS 896 CO 0.64 0.29 1.42 -0.35 -0.92 0.00 0.00 175.35 176.43 2wk3 n PRO 897 N 1.24 1.80 -0.02 -1.68 -0.04 -1.26 -4.93 135.00 130.11 2wk3 n PRO 897 Ca -0.01 0.65 0.02 0.00 -0.04 0.00 0.00 63.50 64.11 2wk3 n PRO 897 Cb 0.45 -2.32 -0.14 0.00 -0.04 0.00 0.00 33.50 31.46 2wk3 n PRO 897 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wk3 n LYS 898 N 2.58 0.66 -4.33 0.54 4.01 -1.26 -4.94 118.16 115.42 2wk3 n LYS 898 Ca 0.15 -0.03 -0.17 0.00 -0.51 0.00 0.00 58.31 57.75 2wk3 n LYS 898 Cb 0.27 -1.60 -0.10 0.00 -0.51 0.00 0.00 35.03 33.09 2wk3 n LYS 898 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 2wk3 s LYS 899 N -3.06 1.30 0.16 1.97 -2.85 -1.26 -4.11 119.74 111.89 2wk3 s LYS 899 Ca -0.07 -1.62 -0.20 0.00 -1.00 0.00 0.00 55.97 53.07 2wk3 s LYS 899 Cb 0.10 -0.77 0.06 0.00 -2.06 0.00 0.00 37.83 35.16 2wk3 s LYS 899 CO 0.86 0.01 1.64 1.25 0.10 0.00 0.00 175.35 179.21 2wk3 h LEU 900 N 2.53 -0.62 -0.84 2.77 5.85 -1.95 -2.33 115.31 120.72 2wk3 h LEU 900 Ca -0.38 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2wk3 h LEU 900 Cb 1.22 0.32 0.00 0.00 0.37 0.00 0.00 40.66 42.57 2wk3 h LEU 900 CO 0.64 -0.22 0.00 0.77 -0.34 0.00 0.00 178.44 179.29 2wk3 h SER 901 N -0.15 0.00 0.43 1.25 4.64 -1.98 0.66 113.55 118.40 2wk3 h SER 901 Ca 0.16 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.26 2wk3 h SER 901 Cb 0.40 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2wk3 h SER 901 CO -0.40 0.00 -0.94 0.00 -0.87 0.00 0.00 176.83 174.62 2wk3 h ALA 902 N 2.21 0.39 -0.22 5.18 0.00 -1.84 -2.02 119.26 122.96 2wk3 h ALA 902 Ca 0.00 -0.73 -0.07 0.00 0.00 0.00 0.00 54.91 54.12 2wk3 h ALA 902 Cb 0.44 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2wk3 h ALA 902 CO 0.00 0.86 -0.13 1.49 0.00 0.00 0.00 179.25 181.47 2wk3 h GLU 903 N 0.18 0.47 -0.65 0.00 4.81 -0.85 -2.64 114.58 115.90 2wk3 h GLU 903 Ca -0.07 -0.21 0.09 0.00 -0.13 0.00 0.00 59.36 59.04 2wk3 h GLU 903 Cb 1.58 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.88 2wk3 h GLU 903 CO 0.16 0.76 0.28 0.77 -0.73 0.00 0.00 179.01 180.25 2wk3 h SER 904 N 0.17 0.32 -0.90 1.04 0.02 -0.98 -1.90 113.55 111.31 2wk3 h SER 904 Ca 0.05 0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.12 2wk3 h SER 904 Cb 0.63 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.14 2wk3 h SER 904 CO 0.04 0.18 0.57 0.00 -1.14 0.00 0.00 176.83 176.48 2wk3 h ALA 905 N 1.42 1.23 0.16 3.77 0.00 -1.24 0.98 119.26 125.59 2wk3 h ALA 905 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2wk3 h ALA 905 Cb 0.38 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2wk3 h ALA 905 CO -0.29 0.37 -0.13 0.87 0.00 0.00 0.00 179.25 180.06 2wk3 h LYS 906 N 1.07 -0.30 -0.53 0.00 1.57 -1.08 -0.57 116.57 116.73 2wk3 h LYS 906 Ca 0.38 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 59.10 2wk3 h LYS 906 Cb 0.11 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2wk3 h LYS 906 CO -0.15 -0.20 0.03 1.88 -0.57 0.00 0.00 179.45 180.44 2wk3 h TYR 907 N -0.31 1.00 -0.11 -1.35 0.99 -0.35 -2.36 116.97 114.48 2wk3 h TYR 907 Ca -0.00 -0.16 0.03 0.00 2.00 0.00 0.00 58.73 60.60 2wk3 h TYR 907 Cb 0.28 -0.26 -0.00 0.00 1.00 0.00 0.00 36.73 37.74 2wk3 h TYR 907 CO -0.11 0.91 0.09 2.35 -0.00 0.00 0.00 178.16 181.39 2wk3 h TRP 908 N 0.80 0.00 0.26 4.88 -0.00 0.10 -1.65 115.95 120.34 2wk3 h TRP 908 Ca 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.03 2wk3 h TRP 908 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.65 2wk3 h TRP 908 CO 0.04 0.00 -0.12 0.78 -0.00 0.00 0.00 178.44 179.13 2wk3 h GLY 909 N 0.00 -0.36 2.00 2.65 0.00 -0.56 0.39 103.07 107.19 2wk3 h GLY 909 Ca 0.05 0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.48 2wk3 h GLY 909 CO -0.00 -0.13 -0.15 0.83 0.00 0.00 0.00 176.54 177.08 2wk3 h GLU 910 N -0.50 0.00 0.00 4.80 4.39 -1.21 -1.59 114.58 120.48 2wk3 h GLU 910 Ca -0.04 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 2wk3 h GLU 910 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2wk3 h GLU 910 CO 0.06 0.15 -0.00 0.82 -1.16 0.00 0.00 179.01 178.88 2wk3 h ILE 911 N 0.00 1.10 0.00 3.13 2.04 -1.03 0.52 117.51 123.27 2wk3 h ILE 911 Ca -0.00 -1.81 -0.05 0.00 1.00 0.00 0.00 64.86 64.00 2wk3 h ILE 911 Cb 0.29 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 2wk3 h ILE 911 CO 0.02 0.37 -0.22 0.16 0.00 0.00 0.00 178.15 178.48 2wk3 h ILE 912 N -1.00 0.63 -0.00 -0.67 3.07 -0.80 0.15 117.51 118.88 2wk3 h ILE 912 Ca -0.00 -1.00 0.00 0.00 1.55 0.00 0.00 64.86 65.41 2wk3 h ILE 912 Cb 0.61 1.65 0.00 0.00 -0.27 0.00 0.00 36.82 38.81 2wk3 h ILE 912 CO 0.00 0.21 -0.14 -1.54 -1.05 0.00 0.00 178.15 175.64 2wk3 n SER 913 N -3.51 0.19 -3.32 2.16 3.41 -0.61 -4.93 113.62 107.02 2wk3 n SER 913 Ca -0.01 0.10 -0.22 0.00 -0.26 0.00 0.00 58.87 58.48 2wk3 n SER 913 Cb 0.38 -0.24 0.07 0.00 -0.26 0.00 0.00 64.21 64.16 2wk3 n SER 913 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wk3 n GLN 914 N -1.40 -7.07 -0.01 4.33 6.02 0.51 -4.87 117.38 114.89 2wk3 n GLN 914 Ca 0.08 0.79 0.01 0.00 -0.01 0.00 0.00 57.00 57.87 2wk3 n GLN 914 Cb 0.32 -5.66 -0.05 0.00 1.02 0.00 0.00 30.24 25.87 2wk3 n GLN 914 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2wk3 n GLN 915 N -4.59 1.17 -2.68 -1.09 6.02 -0.36 -4.18 117.38 111.66 2wk3 n GLN 915 Ca -0.01 -0.04 -0.15 0.00 -0.01 0.00 0.00 57.00 56.79 2wk3 n GLN 915 Cb 0.56 -1.17 -0.00 0.00 1.02 0.00 0.00 30.24 30.66 2wk3 n GLN 915 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2wk3 n TYR 916 N -1.92 -1.54 -3.28 1.08 4.02 0.17 -3.54 117.16 112.15 2wk3 n TYR 916 Ca -0.05 0.13 -0.43 0.00 -0.01 0.00 0.00 57.90 57.54 2wk3 n TYR 916 Cb 0.37 -2.85 -0.01 0.00 -0.02 0.00 0.00 39.34 36.83 2wk3 n TYR 916 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2wk3 n ASN 917 N -1.94 5.60 0.24 7.72 5.15 -1.26 -4.21 115.26 126.56 2wk3 n ASN 917 Ca -0.11 -3.15 0.16 0.00 -0.60 0.00 0.00 54.58 50.88 2wk3 n ASN 917 Cb 0.59 -1.31 0.78 0.00 -0.53 0.00 0.00 39.78 39.32 2wk3 n ASN 917 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 2wk3 h PHE 918 N 6.21 0.00 -0.36 1.20 0.04 -1.96 -2.11 116.94 119.96 2wk3 h PHE 918 Ca 0.18 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.94 2wk3 h PHE 918 Cb 0.79 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.94 2wk3 h PHE 918 CO 0.82 0.00 0.01 -3.47 -0.60 0.00 0.00 178.31 175.06 2wk3 n ASP 919 N -2.73 4.41 -0.29 2.17 2.03 -1.26 -4.75 116.55 116.12 2wk3 n ASP 919 Ca -0.01 -3.02 0.04 0.00 0.52 0.00 0.00 54.79 52.32 2wk3 n ASP 919 Cb 0.16 -0.59 0.18 0.00 -0.72 0.00 0.00 41.12 40.15 2wk3 n ASP 919 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2wk3 h ARG 920 N 2.42 0.74 -0.67 -0.67 2.43 -1.79 -2.81 114.38 114.03 2wk3 h ARG 920 Ca 0.01 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 2wk3 h ARG 920 Cb 1.63 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.99 2wk3 h ARG 920 CO 0.32 0.49 0.16 -0.44 -1.51 0.00 0.00 179.97 178.99 2wk3 h ASP 921 N 0.77 1.00 -0.23 -3.80 3.32 -1.85 0.14 116.42 115.77 2wk3 h ASP 921 Ca 0.41 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 2wk3 h ASP 921 Cb 0.41 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2wk3 h ASP 921 CO -0.27 0.97 -0.05 0.78 -1.72 0.00 0.00 179.24 178.96 2wk3 h ASN 922 N 1.01 0.44 0.21 6.45 4.21 -1.88 -1.25 115.58 124.76 2wk3 h ASN 922 Ca 0.21 -0.36 -0.01 0.00 1.21 0.00 0.00 56.30 57.35 2wk3 h ASN 922 Cb 0.36 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.45 2wk3 h ASN 922 CO 0.00 0.69 -0.10 0.74 -1.29 0.00 0.00 177.43 177.47 2wk3 h THR 923 N 0.17 0.86 -0.22 2.81 2.02 -1.26 -1.87 112.91 115.42 2wk3 h THR 923 Ca 0.06 -0.40 -0.09 0.00 0.77 0.00 0.00 66.41 66.76 2wk3 h THR 923 Cb 0.50 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2wk3 h THR 923 CO 0.02 0.09 -0.24 -0.33 0.37 0.00 0.00 175.52 175.44 2wk3 h GLU 924 N -0.48 0.41 -0.17 6.66 5.08 -0.76 -0.61 114.58 124.71 2wk3 h GLU 924 Ca -0.03 -0.15 -0.21 0.00 -1.00 0.00 0.00 59.36 57.98 2wk3 h GLU 924 Cb 0.36 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.59 2wk3 h GLU 924 CO 0.05 0.63 -0.69 0.28 -1.00 0.00 0.00 179.01 178.27 2wk3 h VAL 925 N 0.37 1.29 -0.59 3.13 2.07 -1.17 0.72 116.25 122.07 2wk3 h VAL 925 Ca 0.06 -1.90 0.07 0.00 0.82 0.00 0.00 66.70 65.75 2wk3 h VAL 925 Cb 0.62 1.94 -0.06 0.00 -1.52 0.00 0.00 31.29 32.27 2wk3 h VAL 925 CO 0.04 0.60 0.28 0.00 0.02 0.00 0.00 177.57 178.51 2wk3 h ALA 926 N 0.56 0.77 -0.28 1.67 0.00 -1.04 -1.09 119.26 119.86 2wk3 h ALA 926 Ca -0.04 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2wk3 h ALA 926 Cb 1.32 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2wk3 h ALA 926 CO 0.15 -0.09 0.01 -0.92 0.00 0.00 0.00 179.25 178.40 2wk3 h TYR 927 N 0.51 0.52 -0.92 0.00 3.20 -0.79 -2.73 116.97 116.76 2wk3 h TYR 927 Ca 0.28 -0.08 0.23 0.00 3.14 0.00 0.00 58.73 62.30 2wk3 h TYR 927 Cb 0.24 -0.14 -0.13 0.00 1.54 0.00 0.00 36.73 38.25 2wk3 h TYR 927 CO -0.12 0.61 0.42 1.25 -1.64 0.00 0.00 178.16 178.68 2wk3 h LEU 928 N 0.27 0.36 -0.58 2.82 6.46 -0.40 -0.75 115.31 123.48 2wk3 h LEU 928 Ca 0.08 0.16 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 2wk3 h LEU 928 Cb 0.40 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 2wk3 h LEU 928 CO 0.01 -0.02 0.00 0.29 -0.62 0.00 0.00 178.44 178.10 2wk3 n LYS 929 N -5.04 0.10 0.03 1.25 5.02 -0.45 -1.02 118.16 118.05 2wk3 n LYS 929 Ca 0.24 0.45 -0.01 0.00 -2.02 0.00 0.00 58.31 56.96 2wk3 n LYS 929 Cb 0.70 -1.74 -0.09 0.00 -0.02 0.00 0.00 35.03 33.89 2wk3 n LYS 929 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2wk3 h THR 930 N 0.00 0.59 -4.05 -0.18 2.02 -1.21 -3.48 112.91 106.60 2wk3 h THR 930 Ca 0.00 -2.14 -0.53 0.00 0.77 0.00 0.00 66.41 64.51 2wk3 h THR 930 Cb 0.18 2.13 0.10 0.00 -1.74 0.00 0.00 68.15 68.83 2wk3 h THR 930 CO 0.00 0.34 0.52 -0.76 0.37 0.00 0.00 175.52 175.99 2wk3 s LEU 931 N -5.88 3.83 0.22 2.58 1.02 -0.19 -5.04 118.68 115.22 2wk3 s LEU 931 Ca -0.03 2.48 0.11 0.00 0.02 0.00 0.00 54.13 56.71 2wk3 s LEU 931 Cb 0.09 -4.38 -0.04 0.00 0.02 0.00 0.00 46.19 41.87 2wk3 s LEU 931 CO 0.81 -1.37 -0.15 0.42 0.02 0.00 0.00 176.35 176.08 2wk3 s THR 932 N -1.48 2.81 0.22 5.49 -4.23 -1.26 -5.02 115.64 112.16 2wk3 s THR 932 Ca 0.71 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 59.07 2wk3 s THR 932 Cb -0.33 -2.42 0.24 0.00 1.34 0.00 0.00 72.50 71.34 2wk3 s THR 932 CO 0.38 -0.23 1.60 0.50 -0.54 0.00 0.00 174.62 176.33 2wk3 h LYS 933 N 2.67 -0.05 -0.97 3.99 3.64 -1.98 0.94 116.57 124.81 2wk3 h LYS 933 Ca -0.45 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.09 2wk3 h LYS 933 Cb 1.23 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.97 2wk3 h LYS 933 CO 0.55 -0.03 0.61 0.93 -2.27 0.00 0.00 179.45 179.23 2wk3 h GLU 934 N -0.05 0.78 -0.18 1.90 5.08 -1.98 0.40 114.58 120.54 2wk3 h GLU 934 Ca 0.32 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2wk3 h GLU 934 Cb 0.55 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2wk3 h GLU 934 CO -0.75 0.52 0.10 -0.44 -1.00 0.00 0.00 179.01 177.43 2wk3 h ASP 935 N 0.81 0.22 -0.72 1.42 3.32 -1.23 -0.74 116.42 119.50 2wk3 h ASP 935 Ca 0.51 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.41 2wk3 h ASP 935 Cb 0.73 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 2wk3 h ASP 935 CO -0.28 0.24 0.20 0.40 -1.72 0.00 0.00 179.24 178.08 2wk3 h ILE 936 N 0.18 1.26 -0.26 0.35 1.08 -0.64 -0.95 117.51 118.52 2wk3 h ILE 936 Ca 0.06 -0.95 0.01 0.00 -0.39 0.00 0.00 64.86 63.59 2wk3 h ILE 936 Cb 0.07 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 34.31 2wk3 h ILE 936 CO -0.01 0.37 0.17 0.40 -0.69 0.00 0.00 178.15 178.38 2wk3 h ILE 937 N 1.08 1.05 -0.80 -0.67 1.08 -0.72 -0.91 117.51 117.63 2wk3 h ILE 937 Ca 0.23 -0.12 -0.05 0.00 -0.39 0.00 0.00 64.86 64.54 2wk3 h ILE 937 Cb 0.35 0.68 -0.04 0.00 -3.07 0.00 0.00 36.82 34.75 2wk3 h ILE 937 CO -0.00 0.06 0.32 0.11 -0.69 0.00 0.00 178.15 177.95 2wk3 h LYS 938 N 0.34 1.20 -0.29 2.37 1.79 -0.45 0.78 116.57 122.31 2wk3 h LYS 938 Ca 0.10 -0.22 -0.01 0.00 -2.18 0.00 0.00 60.65 58.34 2wk3 h LYS 938 Cb -0.03 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.42 2wk3 h LYS 938 CO -0.03 0.97 0.12 0.35 -1.08 0.00 0.00 179.45 179.78 2wk3 h PHE 939 N 1.16 0.43 -0.88 -1.35 3.57 -1.12 0.46 116.94 119.20 2wk3 h PHE 939 Ca 0.27 -0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.83 2wk3 h PHE 939 Cb 0.22 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 38.76 2wk3 h PHE 939 CO 0.02 0.41 0.53 -0.92 -2.23 0.00 0.00 178.31 176.12 2wk3 h TYR 940 N 0.32 0.96 0.02 0.41 5.03 -0.62 -0.21 116.97 122.88 2wk3 h TYR 940 Ca 0.10 0.03 -0.21 0.00 2.58 0.00 0.00 58.73 61.23 2wk3 h TYR 940 Cb 0.16 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 38.12 2wk3 h TYR 940 CO -0.01 0.41 -0.95 -0.22 -1.32 0.00 0.00 178.16 176.07 2wk3 h LYS 941 N 0.88 0.11 0.00 1.82 3.64 0.35 -0.55 116.57 122.82 2wk3 h LYS 941 Ca 0.42 -0.15 -0.17 0.00 -1.27 0.00 0.00 60.65 59.48 2wk3 h LYS 941 Cb 0.35 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 2wk3 h LYS 941 CO -0.24 0.97 -0.96 1.49 -2.27 0.00 0.00 179.45 178.44 2wk3 h GLU 942 N 0.05 0.00 0.00 1.90 4.81 0.07 -3.40 114.58 118.01 2wk3 h GLU 942 Ca -0.04 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 2wk3 h GLU 942 Cb 1.62 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.99 2wk3 h GLU 942 CO 0.14 0.65 -1.34 -1.33 -0.73 0.00 0.00 179.01 176.40 2wk3 n MET 943 N -3.20 2.17 0.00 1.92 0.00 -0.11 -1.79 117.12 116.11 2wk3 n MET 943 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 57.70 57.65 2wk3 n MET 943 Cb 0.86 -1.14 0.00 0.00 0.00 0.00 0.00 33.22 32.94 2wk3 n MET 943 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2wk3 n LEU 944 N -2.04 2.33 -4.37 4.03 4.77 -0.31 -4.02 117.00 117.39 2wk3 n LEU 944 Ca -0.06 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.52 2wk3 n LEU 944 Cb 0.51 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.61 2wk3 n LEU 944 CO 0.12 0.39 -0.24 0.00 -1.33 0.00 0.00 177.39 176.32 2wk3 n ALA 945 N -2.32 -2.18 0.10 -1.18 0.00 -0.62 -4.80 120.51 109.50 2wk3 n ALA 945 Ca 0.00 0.05 0.20 0.00 0.00 0.00 0.00 53.44 53.69 2wk3 n ALA 945 Cb 0.45 -1.62 0.76 0.00 0.00 0.00 0.00 19.45 19.03 2wk3 n ALA 945 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2wk3 h VAL 946 N 0.33 0.43 -0.98 0.00 3.04 -1.95 -2.23 116.25 114.88 2wk3 h VAL 946 Ca -0.41 0.00 -0.52 0.00 -1.01 0.00 0.00 66.70 64.76 2wk3 h VAL 946 Cb 1.42 0.69 -0.42 0.00 -2.01 0.00 0.00 31.29 30.97 2wk3 h VAL 946 CO 0.47 0.00 -0.84 -0.90 -1.01 0.00 0.00 177.57 175.28 2wk3 n ASP 947 N -3.81 4.34 -4.75 3.17 5.68 -1.26 -5.02 116.55 114.90 2wk3 n ASP 947 Ca 0.07 -3.52 -0.40 0.00 -0.50 0.00 0.00 54.79 50.44 2wk3 n ASP 947 Cb 0.57 -0.40 -0.06 0.00 -1.14 0.00 0.00 41.12 40.09 2wk3 n ASP 947 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wk3 s ALA 948 N -3.57 3.35 0.52 2.12 0.00 -0.84 -4.95 121.76 118.38 2wk3 s ALA 948 Ca 0.46 0.67 0.16 0.00 0.00 0.00 0.00 51.96 53.26 2wk3 s ALA 948 Cb 0.40 -3.23 1.27 0.00 0.00 0.00 0.00 23.12 21.56 2wk3 s ALA 948 CO -0.04 0.14 2.14 -1.00 0.00 0.00 0.00 175.76 177.00 2wk3 h PRO 949 N 4.10 0.01 -0.46 0.00 0.13 -1.77 -3.07 132.00 130.93 2wk3 h PRO 949 Ca -0.45 -0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.40 2wk3 h PRO 949 Cb 1.20 -0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.16 2wk3 h PRO 949 CO 0.68 0.00 -0.12 0.54 -0.23 0.00 0.00 178.00 178.87 2wk3 n ARG 950 N -4.53 2.15 -2.15 0.86 1.74 -0.74 -4.03 116.66 109.95 2wk3 n ARG 950 Ca -0.02 -3.35 -0.41 0.00 -0.77 0.00 0.00 57.85 53.29 2wk3 n ARG 950 Cb 0.11 -1.92 -0.03 0.00 -1.02 0.00 0.00 32.46 29.60 2wk3 n ARG 950 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2wk3 s ARG 951 N -3.35 4.36 -0.30 5.56 3.52 -1.16 -4.66 118.95 122.92 2wk3 s ARG 951 Ca 0.47 2.14 -0.02 0.00 -0.13 0.00 0.00 55.73 58.19 2wk3 s ARG 951 Cb 0.42 -3.15 0.10 0.00 -1.56 0.00 0.00 34.95 30.75 2wk3 s ARG 951 CO -0.00 -0.27 0.10 -1.01 -0.81 0.00 0.00 175.30 173.31 2wk3 s HIS 952 N -0.19 1.33 -0.09 5.12 3.76 -1.26 0.15 115.29 124.11 2wk3 s HIS 952 Ca 0.56 -1.46 0.04 0.00 -0.15 0.00 0.00 55.06 54.04 2wk3 s HIS 952 Cb -0.38 -1.47 -0.01 0.00 1.11 0.00 0.00 32.58 31.83 2wk3 s HIS 952 CO 0.42 -0.84 -0.21 0.21 -0.85 0.00 0.00 174.74 173.47 2wk3 s LYS 953 N 1.75 2.98 -0.04 1.40 2.20 -0.99 -0.32 119.74 126.71 2wk3 s LYS 953 Ca 0.09 -0.83 0.02 0.00 -0.36 0.00 0.00 55.97 54.88 2wk3 s LYS 953 Cb -0.17 -2.35 0.01 0.00 -1.51 0.00 0.00 37.83 33.82 2wk3 s LYS 953 CO -0.26 0.26 -0.08 0.08 -0.36 0.00 0.00 175.35 174.99 2wk3 s VAL 954 N 0.16 0.77 -0.04 4.02 1.01 -0.09 -2.06 120.40 124.17 2wk3 s VAL 954 Ca -0.12 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 61.63 2wk3 s VAL 954 Cb -0.16 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 2wk3 s VAL 954 CO 0.07 0.26 -0.25 -0.44 0.00 0.00 0.00 175.10 174.74 2wk3 s SER 955 N 0.59 2.95 -0.21 3.32 0.01 0.08 -0.72 113.70 119.74 2wk3 s SER 955 Ca -0.10 -0.48 -0.08 0.00 1.31 0.00 0.00 55.95 56.61 2wk3 s SER 955 Cb -0.13 -0.61 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 2wk3 s SER 955 CO 0.01 0.26 0.07 -0.69 0.41 0.00 0.00 173.24 173.31 2wk3 s VAL 956 N -0.33 4.68 -0.19 3.43 1.01 0.24 -1.48 120.40 127.76 2wk3 s VAL 956 Ca 0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 2wk3 s VAL 956 Cb -0.12 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 2wk3 s VAL 956 CO 0.02 0.41 -0.07 -1.00 0.00 0.00 0.00 175.10 174.46 2wk3 s HIS 957 N 0.81 2.93 -0.25 5.22 3.76 -0.13 -2.22 115.29 125.40 2wk3 s HIS 957 Ca 0.04 -0.82 0.01 0.00 -0.15 0.00 0.00 55.06 54.14 2wk3 s HIS 957 Cb -0.13 -2.03 0.04 0.00 1.11 0.00 0.00 32.58 31.57 2wk3 s HIS 957 CO 0.02 -0.42 -0.10 0.08 -0.85 0.00 0.00 174.74 173.47 2wk3 s VAL 958 N 1.10 2.43 0.26 -0.90 1.01 0.71 -1.22 120.40 123.79 2wk3 s VAL 958 Ca 0.01 -1.31 -0.28 0.00 0.00 0.00 0.00 61.98 60.39 2wk3 s VAL 958 Cb -0.15 -2.30 -0.09 0.00 0.00 0.00 0.00 36.38 33.84 2wk3 s VAL 958 CO -0.01 0.13 0.92 -0.76 0.00 0.00 0.00 175.10 175.38 2wk3 s LEU 959 N 1.21 4.55 0.72 3.92 1.43 0.52 -1.23 118.68 129.81 2wk3 s LEU 959 Ca -0.03 1.88 -0.16 0.00 -1.03 0.00 0.00 54.13 54.79 2wk3 s LEU 959 Cb -0.18 -3.70 -0.01 0.00 0.03 0.00 0.00 46.19 42.33 2wk3 s LEU 959 CO -0.06 0.10 0.75 0.00 0.23 0.00 0.00 176.35 177.37 2wk3 n ALA 960 N 1.21 -0.89 -0.34 4.21 0.00 -1.22 -1.07 120.51 122.42 2wk3 n ALA 960 Ca -0.01 -0.22 0.09 0.00 0.00 0.00 0.00 53.44 53.30 2wk3 n ALA 960 Cb 0.48 -1.99 0.19 0.00 0.00 0.00 0.00 19.45 18.14 2wk3 n ALA 960 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wk3 n ARG 961 N -1.34 -0.08 0.00 0.00 0.63 -0.71 -2.52 116.66 112.64 2wk3 n ARG 961 Ca 0.11 1.49 0.11 0.00 -0.92 0.00 0.00 57.85 58.64 2wk3 n ARG 961 Cb 0.50 -2.27 -0.02 0.00 0.45 0.00 0.00 32.46 31.11 2wk3 n ARG 961 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2wk3 n GLU 962 N -5.53 0.35 -2.89 -0.14 -0.58 -1.26 -4.96 120.64 105.63 2wk3 n GLU 962 Ca 0.18 -0.28 -0.30 0.00 -0.42 0.00 0.00 57.16 56.34 2wk3 n GLU 962 Cb 0.58 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.93 2wk3 n GLU 962 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wk3 s MET 963 N -2.84 3.79 0.23 3.49 0.23 -1.05 -5.04 119.30 118.10 2wk3 s MET 963 Ca 0.12 0.47 -0.30 0.00 -1.03 0.00 0.00 55.69 54.94 2wk3 s MET 963 Cb 0.17 -2.40 -0.10 0.00 -1.53 0.00 0.00 34.83 30.97 2wk3 s MET 963 CO 0.76 -0.02 1.48 0.16 -2.03 0.00 0.00 175.02 175.37 2wk3 s ASP 964 N -3.11 6.63 0.00 -1.18 1.47 -1.26 -4.91 116.67 114.31 2wk3 s ASP 964 Ca 0.51 2.66 0.00 0.00 1.18 0.00 0.00 52.55 56.90 2wk3 s ASP 964 Cb -0.10 -2.62 0.00 0.00 -0.34 0.00 0.00 42.92 39.86 2wk3 s ASP 964 CO 0.30 -0.74 0.00 -0.24 0.68 0.00 0.00 175.17 175.17 2wk3 n SER 965 N 2.78 0.00 0.00 2.11 2.88 -1.26 -5.12 113.62 115.01 2wk3 n SER 965 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2wk3 n SER 965 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 2wk3 n SER 965 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2wk3 n ASN 979 N 0.40 0.00 -4.93 -3.46 6.94 -1.26 -5.20 115.26 107.75 2wk3 n ASN 979 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 54.58 54.28 2wk3 n ASN 979 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 2wk3 n ASN 979 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2wk3 s LEU 980 N 0.00 4.34 0.88 -4.53 1.43 -1.26 -5.09 118.68 114.45 2wk3 s LEU 980 Ca 0.00 0.22 -0.14 0.00 -1.03 0.00 0.00 54.13 53.19 2wk3 s LEU 980 Cb 0.00 -2.95 0.01 0.00 0.03 0.00 0.00 46.19 43.29 2wk3 s LEU 980 CO 0.00 0.09 0.45 -1.54 0.23 0.00 0.00 176.35 175.59 2wk3 n SER 981 N -0.23 -1.77 -4.66 2.29 3.41 -1.26 -4.94 113.62 106.46 2wk3 n SER 981 Ca -0.06 0.41 -0.42 0.00 -0.26 0.00 0.00 58.87 58.54 2wk3 n SER 981 Cb 0.53 -1.21 -0.03 0.00 -0.26 0.00 0.00 64.21 63.23 2wk3 n SER 981 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2wk3 s GLN 982 N -3.38 4.26 0.30 4.33 2.00 -1.26 -5.02 119.66 120.88 2wk3 s GLN 982 Ca 0.60 1.19 -0.27 0.00 -2.00 0.00 0.00 55.36 54.88 2wk3 s GLN 982 Cb -0.25 -3.62 -0.10 0.00 0.80 0.00 0.00 33.01 29.84 2wk3 s GLN 982 CO 0.64 -0.53 0.94 0.00 -0.50 0.00 0.00 175.29 175.84 2wk3 s ALA 983 N 2.85 3.25 0.61 1.58 0.00 -1.26 -4.63 121.76 124.15 2wk3 s ALA 983 Ca 0.41 0.54 -0.08 0.00 0.00 0.00 0.00 51.96 52.83 2wk3 s ALA 983 Cb -0.16 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2wk3 s ALA 983 CO 0.08 0.19 0.94 -1.25 0.00 0.00 0.00 175.76 175.72 2wk3 s PRO 984 N -1.82 3.04 0.22 0.00 0.04 -1.26 -5.00 135.00 130.22 2wk3 s PRO 984 Ca 0.47 0.19 -0.30 0.00 0.04 0.00 0.00 61.00 61.41 2wk3 s PRO 984 Cb -0.20 -2.21 -0.09 0.00 0.04 0.00 0.00 34.50 32.04 2wk3 s PRO 984 CO 0.26 -0.71 0.93 0.00 0.04 0.00 0.00 177.00 177.52 2wk3 s ALA 985 N -3.06 3.34 0.16 8.56 0.00 -1.26 -5.00 121.76 124.50 2wk3 s ALA 985 Ca 0.54 0.59 0.10 0.00 0.00 0.00 0.00 51.96 53.20 2wk3 s ALA 985 Cb -0.11 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 2wk3 s ALA 985 CO 0.47 0.19 -0.19 -0.51 0.00 0.00 0.00 175.76 175.72 2wk3 s LEU 986 N -1.06 2.62 0.94 0.00 1.43 -1.26 -5.09 118.68 116.26 2wk3 s LEU 986 Ca 0.41 -0.69 -0.11 0.00 -1.03 0.00 0.00 54.13 52.72 2wk3 s LEU 986 Cb -0.25 -1.40 0.16 0.00 0.03 0.00 0.00 46.19 44.72 2wk3 s LEU 986 CO 0.31 0.14 1.12 -2.16 0.23 0.00 0.00 176.35 175.99 2wk3 s PRO 987 N -2.44 0.87 0.02 1.29 0.04 -1.26 -4.97 135.00 128.55 2wk3 s PRO 987 Ca 0.20 1.35 -0.30 0.00 0.04 0.00 0.00 61.00 62.28 2wk3 s PRO 987 Cb -0.09 -1.72 -0.06 0.00 0.04 0.00 0.00 34.50 32.66 2wk3 s PRO 987 CO 0.10 -2.67 1.43 -1.14 0.04 0.00 0.00 177.00 174.77 2wk3 s GLN 988 N -4.67 4.28 0.53 4.56 2.00 -1.26 -5.00 119.66 120.09 2wk3 s GLN 988 Ca 0.66 2.03 -0.10 0.00 -2.00 0.00 0.00 55.36 55.94 2wk3 s GLN 988 Cb -0.22 -3.54 -0.05 0.00 0.80 0.00 0.00 33.01 30.00 2wk3 s GLN 988 CO 0.59 -0.58 0.92 -1.25 -0.50 0.00 0.00 175.29 174.46 2wk3 s PRO 989 N 2.29 3.68 -0.41 1.67 0.04 -1.26 -4.90 135.00 136.10 2wk3 s PRO 989 Ca 0.65 0.60 -0.24 0.00 0.04 0.00 0.00 61.00 62.05 2wk3 s PRO 989 Cb -0.33 -2.22 0.02 0.00 0.04 0.00 0.00 34.50 32.01 2wk3 s PRO 989 CO 0.28 -0.33 0.85 -2.00 0.04 0.00 0.00 177.00 175.83 2wk3 s GLU 990 N -4.65 3.63 -0.24 4.56 2.12 -0.40 -4.92 118.70 118.80 2wk3 s GLU 990 Ca 0.53 0.22 -0.29 0.00 0.36 0.00 0.00 54.97 55.79 2wk3 s GLU 990 Cb -0.11 -3.87 -0.01 0.00 0.26 0.00 0.00 34.13 30.40 2wk3 s GLU 990 CO 0.44 -1.03 1.44 0.08 -0.54 0.00 0.00 175.26 175.64 2wk3 s VAL 991 N 3.40 3.96 0.06 3.70 1.01 -1.26 -2.36 120.40 128.91 2wk3 s VAL 991 Ca 0.34 1.10 -0.31 0.00 0.00 0.00 0.00 61.98 63.11 2wk3 s VAL 991 Cb -0.12 -3.92 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 2wk3 s VAL 991 CO 0.21 -0.34 1.60 -0.63 0.00 0.00 0.00 175.10 175.94 2wk3 s ILE 992 N 4.55 3.13 -0.18 2.22 1.01 0.02 -4.89 121.20 127.07 2wk3 s ILE 992 Ca 0.63 0.60 0.16 0.00 0.00 0.00 0.00 60.65 62.04 2wk3 s ILE 992 Cb -0.21 -3.39 -0.23 0.00 0.01 0.00 0.00 42.46 38.64 2wk3 s ILE 992 CO 0.25 0.00 0.06 1.67 0.00 0.00 0.00 174.94 176.92 2wk3 n GLN 993 N 5.40 1.00 -3.71 2.79 -0.06 -1.26 -4.67 117.38 116.87 2wk3 n GLN 993 Ca 0.15 -0.01 -0.12 0.00 -2.00 0.00 0.00 57.00 55.03 2wk3 n GLN 993 Cb 0.41 -1.47 -0.12 0.00 -4.06 0.00 0.00 30.24 25.00 2wk3 n GLN 993 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 2wk3 s ASN 994 N -5.25 -0.31 0.22 1.69 3.84 -1.26 -5.07 114.94 108.79 2wk3 s ASN 994 Ca -0.09 0.70 -0.07 0.00 0.21 0.00 0.00 52.86 53.61 2wk3 s ASN 994 Cb 0.05 0.62 0.17 0.00 -0.55 0.00 0.00 41.25 41.55 2wk3 s ASN 994 CO 0.75 -0.19 1.76 0.24 -2.79 0.00 0.00 177.10 176.87 2wk3 h MET 995 N 7.32 1.13 0.05 0.43 2.86 -1.99 -1.95 114.93 122.78 2wk3 h MET 995 Ca -0.36 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.04 2wk3 h MET 995 Cb 1.16 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.65 2wk3 h MET 995 CO 0.31 0.96 -0.03 1.15 1.06 0.00 0.00 176.91 180.36 2wk3 h THR 996 N 1.09 1.01 -0.96 2.22 2.02 -1.97 -0.87 112.91 115.44 2wk3 h THR 996 Ca 0.24 -0.20 0.12 0.00 0.77 0.00 0.00 66.41 67.35 2wk3 h THR 996 Cb 0.30 1.14 -0.08 0.00 -1.74 0.00 0.00 68.15 67.77 2wk3 h THR 996 CO -0.01 0.05 0.61 -0.33 0.37 0.00 0.00 175.52 176.21 2wk3 h GLU 997 N -0.16 0.87 -0.09 6.66 5.08 -1.95 -0.20 114.58 124.78 2wk3 h GLU 997 Ca -0.01 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2wk3 h GLU 997 Cb 0.14 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 2wk3 h GLU 997 CO 0.01 0.57 -0.05 0.35 -1.00 0.00 0.00 179.01 178.90 2wk3 h PHE 998 N 0.89 0.22 -0.42 4.33 3.57 -1.04 -1.77 116.94 122.73 2wk3 h PHE 998 Ca 0.48 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.91 2wk3 h PHE 998 Cb 0.55 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 2wk3 h PHE 998 CO -0.00 0.56 0.24 0.87 -2.23 0.00 0.00 178.31 177.75 2wk3 h LYS 999 N -0.18 0.58 -0.67 1.11 1.57 -0.40 -3.02 116.57 115.56 2wk3 h LYS 999 Ca 0.02 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2wk3 h LYS 999 Cb 0.51 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 2wk3 h LYS 999 CO 0.01 0.46 0.32 0.00 -0.57 0.00 0.00 179.45 179.68 2wk3 h ARG 1000N 0.55 0.95 0.00 3.15 3.08 -1.02 -2.42 114.38 118.66 2wk3 h ARG 1000Ca 0.15 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2wk3 h ARG 1000Cb 0.04 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.91 2wk3 h ARG 1000CO -0.03 0.73 0.00 0.41 -1.07 0.00 0.00 179.97 180.02 2wk3 n GLY 1001N -1.12 -0.54 3.22 0.04 0.00 -0.67 -4.83 105.19 101.30 2wk3 n GLY 1001Ca 0.06 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 2wk3 n GLY 1001CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wk3 s LEU 1002N -1.83 2.34 1.05 0.99 1.43 -0.91 -5.09 118.68 116.65 2wk3 s LEU 1002Ca 0.22 -0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 52.48 2wk3 s LEU 1002Cb 0.10 -0.60 0.22 0.00 0.03 0.00 0.00 46.19 45.94 2wk3 s LEU 1002CO 0.17 -0.08 1.07 -2.84 0.23 0.00 0.00 176.35 174.90 2wk3 s PRO 1003N -2.19 0.02 -0.01 1.29 0.02 -1.26 -4.81 135.00 128.06 2wk3 s PRO 1003Ca 0.04 0.68 0.08 0.00 0.02 0.00 0.00 61.00 61.83 2wk3 s PRO 1003Cb -0.08 -1.68 -0.02 0.00 0.02 0.00 0.00 34.50 32.75 2wk3 s PRO 1003CO 0.03 -3.05 -0.25 -0.51 -0.33 0.00 0.00 177.00 172.88 2wk3 s LEU 1004N -6.72 2.07 0.88 -5.54 1.43 -1.26 -0.71 118.68 108.83 2wk3 s LEU 1004Ca 0.66 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 53.18 2wk3 s LEU 1004Cb -0.21 -1.30 0.12 0.00 0.03 0.00 0.00 46.19 44.84 2wk3 s LEU 1004CO 0.60 0.30 1.11 -0.36 0.23 0.00 0.00 176.35 178.23 2wk3 s PHE 1005N -0.63 1.98 1.12 0.29 0.40 -0.12 -4.83 117.98 116.20 2wk3 s PHE 1005Ca 0.10 1.62 -0.12 0.00 -0.60 0.00 0.00 56.93 57.93 2wk3 s PHE 1005Cb -0.10 -3.21 0.26 0.00 0.51 0.00 0.00 43.02 40.48 2wk3 s PHE 1005CO -0.00 -2.52 1.05 -2.14 0.70 0.00 0.00 175.22 172.31 2wk3 s PRO 1006N -4.75 -0.58 0.43 0.24 0.02 -1.26 -4.68 135.00 124.42 2wk3 s PRO 1006Ca 0.65 0.84 -0.15 0.00 0.02 0.00 0.00 61.00 62.36 2wk3 s PRO 1006Cb -0.21 -1.59 -0.08 0.00 0.02 0.00 0.00 34.50 32.64 2wk3 s PRO 1006CO 0.58 -3.50 0.87 -0.51 -0.33 0.00 0.00 177.00 174.11 2wk3 s LEU 1007N -7.06 3.81 0.46 -5.54 2.01 -1.26 -4.81 118.68 106.29 2wk3 s LEU 1007Ca 0.68 1.40 -0.22 0.00 0.01 0.00 0.00 54.13 55.99 2wk3 s LEU 1007Cb -0.24 -4.28 -0.08 0.00 0.01 0.00 0.00 46.19 41.60 2wk3 s LEU 1007CO 0.63 -0.43 1.10 -0.69 1.01 0.00 0.00 176.35 177.97 2wk3 s VAL 1008N -2.37 3.43 0.13 -1.59 1.01 -1.26 -5.03 120.40 114.72 2wk3 s VAL 1008Ca 0.56 1.02 -0.22 0.00 0.00 0.00 0.00 61.98 63.33 2wk3 s VAL 1008Cb -0.10 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 2wk3 s VAL 1008CO 0.26 -0.07 0.68 -1.59 0.00 0.00 0.00 175.10 174.38 2wk3 s LYS 1009N -2.83 4.39 0.81 2.72 0.00 -1.26 -4.99 119.74 118.57 2wk3 s LYS 1009Ca 0.64 0.95 -0.09 0.00 0.00 0.00 0.00 55.97 57.47 2wk3 s LYS 1009Cb -0.23 -3.23 0.12 0.00 0.00 0.00 0.00 37.83 34.49 2wk3 s LYS 1009CO 0.28 0.59 1.13 -2.14 0.00 0.00 0.00 175.35 175.22 2wk3 s PRO 1010N -1.18 1.54 0.00 1.78 0.02 -1.26 -4.87 135.00 131.03 2wk3 s PRO 1010Ca 0.33 -0.45 0.00 0.00 0.02 0.00 0.00 61.00 60.91 2wk3 s PRO 1010Cb -0.21 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.24 2wk3 s PRO 1010CO 0.23 -1.72 0.00 1.58 -0.33 0.00 0.00 177.00 176.76 2wk3 n HIS 1011N -3.23 0.00 0.89 6.54 -0.00 -1.23 -5.07 115.22 113.12 2wk3 n HIS 1011Ca 0.12 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.37 2wk3 n HIS 1011Cb 0.60 0.00 0.42 0.00 -0.12 0.00 0.00 29.99 30.89 2wk3 n HIS 1011CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91