#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wk3 s ASN 44 N 0.00 2.54 0.45 6.41 3.84 -1.26 -5.04 114.94 121.88 2wk3 s ASN 44 Ca 0.00 -0.68 0.11 0.00 0.21 0.00 0.00 52.86 52.50 2wk3 s ASN 44 Cb 0.00 -0.39 1.02 0.00 -0.55 0.00 0.00 41.25 41.33 2wk3 s ASN 44 CO 0.00 -0.33 2.09 1.55 -2.79 0.00 0.00 177.10 177.62 2wk3 h PRO 45 N 8.35 0.34 0.00 0.43 0.13 -2.05 -2.91 132.00 136.29 2wk3 h PRO 45 Ca -0.15 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2wk3 h PRO 45 Cb 1.14 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2wk3 h PRO 45 CO 0.31 0.22 0.00 0.00 -0.23 0.00 0.00 178.00 178.30 2wk3 h ALA 46 N 1.84 1.00 -3.03 -0.56 0.00 -2.00 -3.43 119.26 113.08 2wk3 h ALA 46 Ca 0.10 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.35 2wk3 h ALA 46 Cb -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.50 2wk3 h ALA 46 CO -0.02 0.00 -0.68 0.42 0.00 0.00 0.00 179.25 178.97 2wk3 s ILE 47 N -3.14 3.65 0.10 0.00 1.01 -1.10 0.65 121.20 122.37 2wk3 s ILE 47 Ca 0.10 -0.55 -0.20 0.00 0.00 0.00 0.00 60.65 60.00 2wk3 s ILE 47 Cb 0.11 -2.75 -0.08 0.00 0.01 0.00 0.00 42.46 39.75 2wk3 s ILE 47 CO 0.59 0.29 1.64 0.50 0.00 0.00 0.00 174.94 177.95 2wk3 h LYS 48 N 8.16 0.32 -2.52 2.79 3.64 -0.98 -3.43 116.57 124.56 2wk3 h LYS 48 Ca -0.37 -0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.06 2wk3 h LYS 48 Cb 1.15 -0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.81 2wk3 h LYS 48 CO 0.60 0.38 0.41 -0.98 -2.27 0.00 0.00 179.45 177.58 2wk3 s ARG 49 N -5.55 1.19 -0.11 1.90 1.70 -1.00 -4.99 118.95 112.09 2wk3 s ARG 49 Ca -0.14 -0.58 0.00 0.00 -0.47 0.00 0.00 55.73 54.54 2wk3 s ARG 49 Cb 0.08 0.46 -0.02 0.00 -0.57 0.00 0.00 34.95 34.89 2wk3 s ARG 49 CO 0.71 -0.54 -0.12 0.42 -1.08 0.00 0.00 175.30 174.70 2wk3 s ILE 50 N -3.40 3.20 1.06 4.99 1.01 -1.26 -1.07 121.20 125.73 2wk3 s ILE 50 Ca 0.08 -0.62 -0.13 0.00 0.00 0.00 0.00 60.65 59.98 2wk3 s ILE 50 Cb -0.02 -2.33 0.22 0.00 0.01 0.00 0.00 42.46 40.34 2wk3 s ILE 50 CO -0.02 0.54 1.08 -0.83 0.00 0.00 0.00 174.94 175.71 2wk3 s GLY 51 N 0.05 1.55 0.85 6.18 0.00 -0.27 -4.96 107.32 110.72 2wk3 s GLY 51 Ca -0.04 -0.41 -0.14 0.00 0.00 0.00 0.00 44.72 44.13 2wk3 s GLY 51 CO 0.04 0.27 0.94 0.70 0.00 0.00 0.00 173.10 175.05 2wk3 n ASN 52 N -4.41 -0.81 -4.62 1.64 4.13 -1.26 -4.81 115.26 105.10 2wk3 n ASN 52 Ca 0.05 -1.21 -0.55 0.00 1.68 0.00 0.00 54.58 54.55 2wk3 n ASN 52 Cb 0.57 -0.78 -0.07 0.00 -1.54 0.00 0.00 39.78 37.96 2wk3 n ASN 52 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 2wk3 n HIS 53 N -3.84 1.59 -2.91 3.10 -0.00 -1.26 -4.69 115.22 107.22 2wk3 n HIS 53 Ca 0.12 0.68 -0.43 0.00 -0.00 0.00 0.00 57.72 58.10 2wk3 n HIS 53 Cb 0.45 -2.34 -0.05 0.00 -0.00 0.00 0.00 29.99 28.05 2wk3 n HIS 53 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2wk3 s ILE 54 N 1.46 4.64 0.08 3.57 -1.09 -1.26 -4.81 121.20 123.79 2wk3 s ILE 54 Ca 0.90 0.79 -0.31 0.00 -2.23 0.00 0.00 60.65 59.81 2wk3 s ILE 54 Cb -1.05 -4.30 -0.10 0.00 -1.58 0.00 0.00 42.46 35.44 2wk3 s ILE 54 CO 0.55 -0.59 1.88 -0.89 -1.23 0.00 0.00 174.94 174.66 2wk3 s THR 55 N 3.33 2.79 0.29 2.92 2.01 -0.84 -4.97 115.64 121.17 2wk3 s THR 55 Ca 0.33 0.06 0.07 0.00 0.31 0.00 0.00 61.69 62.46 2wk3 s THR 55 Cb -0.12 -3.04 -0.06 0.00 0.01 0.00 0.00 72.50 69.29 2wk3 s THR 55 CO 0.20 -0.00 -0.06 -1.59 -0.69 0.00 0.00 174.62 172.48 2wk3 s LYS 56 N 3.55 1.61 0.41 4.92 -2.85 -1.26 -4.37 119.74 121.75 2wk3 s LYS 56 Ca 0.84 -1.82 -0.25 0.00 -1.00 0.00 0.00 55.97 53.73 2wk3 s LYS 56 Cb -0.44 -1.25 -0.08 0.00 -2.06 0.00 0.00 37.83 33.99 2wk3 s LYS 56 CO 0.38 0.05 1.24 0.45 0.10 0.00 0.00 175.35 177.58 2wk3 s SER 57 N -3.48 6.34 0.00 0.03 0.15 -1.26 -4.87 113.70 110.61 2wk3 s SER 57 Ca 0.30 2.52 0.16 0.00 0.70 0.00 0.00 55.95 59.63 2wk3 s SER 57 Cb 0.04 -2.63 0.87 0.00 -1.71 0.00 0.00 66.02 62.59 2wk3 s SER 57 CO 0.13 -0.81 1.40 -0.81 1.20 0.00 0.00 173.24 174.34 2wk3 n PRO 58 N 0.03 0.37 0.01 5.44 -0.04 -1.26 -1.11 135.00 138.44 2wk3 n PRO 58 Ca 0.04 0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 2wk3 n PRO 58 Cb 0.45 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.63 2wk3 n PRO 58 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wk3 n GLU 59 N -1.13 0.03 -3.09 0.54 -0.58 -1.26 -4.84 120.64 110.32 2wk3 n GLU 59 Ca 0.10 0.01 -0.43 0.00 -0.42 0.00 0.00 57.16 56.42 2wk3 n GLU 59 Cb 0.09 -1.52 -0.06 0.00 -0.57 0.00 0.00 31.44 29.37 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 -3.12 6.37 0.06 1.62 -1.08 -0.27 -4.91 116.67 115.34 2wk3 s ASP 60 Ca 0.10 -0.14 0.27 0.00 -0.52 0.00 0.00 52.55 52.26 2wk3 s ASP 60 Cb 0.17 -2.33 0.85 0.00 -1.46 0.00 0.00 42.92 40.15 2wk3 s ASP 60 CO 0.71 -0.74 1.69 0.29 0.52 0.00 0.00 175.17 177.64 2wk3 n LYS 61 N 6.27 0.09 -1.69 4.34 5.02 -1.26 -4.86 118.16 126.07 2wk3 n LYS 61 Ca -0.01 0.05 -0.35 0.00 -2.02 0.00 0.00 58.31 55.98 2wk3 n LYS 61 Cb 0.48 -1.58 0.07 0.00 -0.02 0.00 0.00 35.03 33.98 2wk3 n LYS 61 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wk3 s ARG 62 N -3.04 2.51 0.12 1.97 0.52 -1.26 -5.00 118.95 114.77 2wk3 s ARG 62 Ca 0.12 1.85 0.05 0.00 -0.52 0.00 0.00 55.73 57.23 2wk3 s ARG 62 Cb 0.17 -1.87 -0.04 0.00 0.52 0.00 0.00 34.95 33.73 2wk3 s ARG 62 CO 0.61 -1.58 0.01 -1.21 0.02 0.00 0.00 175.30 173.16 2wk3 s GLU 63 N -3.60 2.55 0.00 3.54 2.02 -0.55 -4.96 118.70 117.70 2wk3 s GLU 63 Ca 0.77 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.86 2wk3 s GLU 63 Cb -0.32 -2.51 -0.00 0.00 0.10 0.00 0.00 34.13 31.41 2wk3 s GLU 63 CO 0.40 0.51 -0.00 0.71 0.02 0.00 0.00 175.26 176.90 2wk3 s TYR 64 N -1.46 0.03 -0.05 1.61 1.51 -1.26 -0.05 117.35 117.69 2wk3 s TYR 64 Ca 0.27 -0.04 -0.02 0.00 -1.01 0.00 0.00 57.07 56.27 2wk3 s TYR 64 Cb -0.11 -0.02 0.03 0.00 -0.11 0.00 0.00 41.96 41.75 2wk3 s TYR 64 CO 0.19 -0.01 0.09 0.50 -1.11 0.00 0.00 175.55 175.20 2wk3 s ARG 65 N -0.11 0.00 0.12 -0.62 3.52 -0.69 -4.65 118.95 116.53 2wk3 s ARG 65 Ca -0.01 0.32 -0.02 0.00 -0.13 0.00 0.00 55.73 55.90 2wk3 s ARG 65 Cb -0.01 -0.28 -0.05 0.00 -1.56 0.00 0.00 34.95 33.06 2wk3 s ARG 65 CO -0.00 -0.21 0.31 0.20 -0.81 0.00 0.00 175.30 174.78 2wk3 s GLY 66 N 1.45 2.11 0.22 8.12 0.00 -1.26 -0.60 107.32 117.35 2wk3 s GLY 66 Ca -0.05 -0.75 -0.23 0.00 0.00 0.00 0.00 44.72 43.69 2wk3 s GLY 66 CO -0.04 -0.70 0.85 0.48 0.00 0.00 0.00 173.10 173.68 2wk3 s LEU 67 N -2.74 -0.21 -0.11 0.66 0.05 -0.19 -1.11 118.68 115.02 2wk3 s LEU 67 Ca 0.38 -0.51 0.03 0.00 0.05 0.00 0.00 54.13 54.07 2wk3 s LEU 67 Cb -0.12 2.43 0.01 0.00 -2.05 0.00 0.00 46.19 46.46 2wk3 s LEU 67 CO 0.27 -1.12 -0.20 -0.70 -0.55 0.00 0.00 176.35 174.04 2wk3 s GLU 68 N -3.56 2.71 0.79 1.48 2.12 -0.23 -0.35 118.70 121.65 2wk3 s GLU 68 Ca 0.12 -0.75 -0.11 0.00 0.36 0.00 0.00 54.97 54.58 2wk3 s GLU 68 Cb -0.04 -2.14 0.07 0.00 0.26 0.00 0.00 34.13 32.28 2wk3 s GLU 68 CO 0.05 0.06 1.10 -0.51 -0.54 0.00 0.00 175.26 175.42 2wk3 s LEU 69 N 0.63 2.61 0.33 2.70 1.43 0.40 -0.60 118.68 126.18 2wk3 s LEU 69 Ca -0.13 1.28 0.06 0.00 -1.03 0.00 0.00 54.13 54.31 2wk3 s LEU 69 Cb -0.16 -3.90 0.71 0.00 0.03 0.00 0.00 46.19 42.87 2wk3 s LEU 69 CO 0.03 -1.93 1.86 0.00 0.23 0.00 0.00 176.35 176.55 2wk3 h ALA 70 N -1.06 1.71 -0.05 4.21 0.00 -0.06 0.21 119.26 124.22 2wk3 h ALA 70 Ca -0.47 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2wk3 h ALA 70 Cb 1.27 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2wk3 h ALA 70 CO 0.60 0.06 0.00 0.27 0.00 0.00 0.00 179.25 180.17 2wk3 n ASN 71 N -4.58 0.41 0.00 0.00 0.23 -1.26 -4.84 115.26 105.22 2wk3 n ASN 71 Ca 0.18 -1.58 0.00 0.00 -0.53 0.00 0.00 54.58 52.65 2wk3 n ASN 71 Cb 0.41 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.08 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 0.83 0.67 3.71 4.83 0.00 0.73 -3.58 105.19 112.38 2wk3 n GLY 72 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.09 4.56 0.04 -0.61 1.01 -1.24 -4.60 121.20 118.27 2wk3 s ILE 73 Ca 0.00 1.84 -0.26 0.00 0.00 0.00 0.00 60.65 62.23 2wk3 s ILE 73 Cb 0.00 -4.18 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 2wk3 s ILE 73 CO 0.00 0.13 0.80 -0.54 0.00 0.00 0.00 174.94 175.33 2wk3 s LYS 74 N 1.09 4.52 -0.02 2.79 1.02 -0.81 -0.45 119.74 127.88 2wk3 s LYS 74 Ca 0.54 1.11 0.03 0.00 0.02 0.00 0.00 55.97 57.68 2wk3 s LYS 74 Cb -0.24 -3.38 -0.00 0.00 -0.52 0.00 0.00 37.83 33.69 2wk3 s LYS 74 CO 0.28 0.23 -0.11 0.08 -0.92 0.00 0.00 175.35 174.91 2wk3 s VAL 75 N 0.11 0.90 -0.12 3.17 1.01 0.53 -0.84 120.40 125.17 2wk3 s VAL 75 Ca 0.40 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.95 2wk3 s VAL 75 Cb -0.21 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 2wk3 s VAL 75 CO 0.24 0.27 -0.17 -0.22 0.00 0.00 0.00 175.10 175.22 2wk3 s LEU 76 N 0.02 2.52 -0.12 3.92 0.20 0.09 -1.02 118.68 124.29 2wk3 s LEU 76 Ca -0.01 -0.39 -0.02 0.00 0.69 0.00 0.00 54.13 54.41 2wk3 s LEU 76 Cb -0.07 -1.55 -0.03 0.00 -0.43 0.00 0.00 46.19 44.11 2wk3 s LEU 76 CO 0.00 0.17 -0.05 -0.76 -0.29 0.00 0.00 176.35 175.43 2wk3 s LEU 77 N 0.29 3.22 -0.18 -0.68 1.43 0.23 -1.73 118.68 121.25 2wk3 s LEU 77 Ca -0.12 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 2wk3 s LEU 77 Cb -0.16 -1.74 0.04 0.00 0.03 0.00 0.00 46.19 44.35 2wk3 s LEU 77 CO 0.06 0.26 -0.09 -0.63 0.23 0.00 0.00 176.35 176.18 2wk3 s ILE 78 N -0.18 1.44 -0.31 -0.59 1.01 0.15 -1.70 121.20 121.03 2wk3 s ILE 78 Ca 0.03 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 2wk3 s ILE 78 Cb -0.13 -1.53 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 2wk3 s ILE 78 CO 0.03 0.20 0.21 -0.55 0.00 0.00 0.00 174.94 174.82 2wk3 s SER 79 N 1.49 6.00 -0.34 3.58 0.15 0.93 -1.47 113.70 124.04 2wk3 s SER 79 Ca 0.00 -0.26 0.01 0.00 0.70 0.00 0.00 55.95 56.40 2wk3 s SER 79 Cb -0.15 -2.12 0.10 0.00 -1.71 0.00 0.00 66.02 62.14 2wk3 s SER 79 CO -0.08 -0.16 0.10 -0.62 1.20 0.00 0.00 173.24 173.68 2wk3 s ASP 80 N 1.73 4.22 0.09 5.45 -1.08 0.07 -1.48 116.67 125.68 2wk3 s ASP 80 Ca 0.06 -1.93 0.17 0.00 -0.52 0.00 0.00 52.55 50.33 2wk3 s ASP 80 Cb -0.17 -1.13 0.72 0.00 -1.46 0.00 0.00 42.92 40.88 2wk3 s ASP 80 CO 0.10 -0.39 1.52 -2.65 0.52 0.00 0.00 175.17 174.28 2wk3 n PRO 81 N 4.49 0.06 0.00 4.34 -0.02 -1.26 -2.47 135.00 140.15 2wk3 n PRO 81 Ca 0.01 0.33 0.12 0.00 -2.02 0.00 0.00 63.50 61.94 2wk3 n PRO 81 Cb 0.41 -1.63 0.28 0.00 -0.02 0.00 0.00 33.50 32.55 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 -1.75 0.00 -2.75 3.45 -2.24 -1.26 -4.92 114.28 104.80 2wk3 n THR 82 Ca 0.03 -0.01 -0.38 0.00 -2.27 0.00 0.00 64.05 61.42 2wk3 n THR 82 Cb 0.18 0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.56 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 -2.96 4.13 0.00 4.28 -1.32 -1.03 -4.97 115.64 113.78 2wk3 s THR 83 Ca 0.12 1.84 -0.14 0.00 -1.21 0.00 0.00 61.69 62.30 2wk3 s THR 83 Cb 0.18 -4.05 -0.34 0.00 -1.51 0.00 0.00 72.50 66.78 2wk3 s THR 83 CO 0.67 0.21 0.89 0.44 -2.21 0.00 0.00 174.62 174.62 2wk3 h ASP 84 N 3.34 0.77 -3.36 8.08 3.32 -1.94 -3.45 116.42 123.19 2wk3 h ASP 84 Ca -0.47 -0.92 -0.65 0.00 0.02 0.00 0.00 57.03 55.02 2wk3 h ASP 84 Cb 1.19 -0.25 -0.18 0.00 0.22 0.00 0.00 39.33 40.31 2wk3 h ASP 84 CO 0.65 1.74 -0.64 -0.54 -1.72 0.00 0.00 179.24 178.73 2wk3 s LYS 85 N -2.59 3.36 0.68 3.56 1.02 -1.26 -1.24 119.74 123.26 2wk3 s LYS 85 Ca -0.11 -0.47 -0.01 0.00 0.02 0.00 0.00 55.97 55.40 2wk3 s LYS 85 Cb 0.05 -2.86 0.10 0.00 -0.52 0.00 0.00 37.83 34.59 2wk3 s LYS 85 CO 0.92 0.45 0.94 -1.12 -0.92 0.00 0.00 175.35 175.62 2wk3 s SER 86 N -0.20 4.60 -0.14 2.83 0.01 0.86 -4.78 113.70 116.87 2wk3 s SER 86 Ca 0.04 -0.23 -0.29 0.00 1.31 0.00 0.00 55.95 56.78 2wk3 s SER 86 Cb -0.13 -0.29 0.10 0.00 0.21 0.00 0.00 66.02 65.92 2wk3 s SER 86 CO 0.02 -1.68 0.87 -0.55 0.41 0.00 0.00 173.24 172.32 2wk3 s SER 87 N -4.65 -0.51 0.06 2.44 0.15 -0.42 -0.75 113.70 110.02 2wk3 s SER 87 Ca 0.64 0.64 -0.06 0.00 0.70 0.00 0.00 55.95 57.87 2wk3 s SER 87 Cb -0.07 0.54 -0.01 0.00 -1.71 0.00 0.00 66.02 64.76 2wk3 s SER 87 CO 0.43 -0.41 0.10 0.00 1.20 0.00 0.00 173.24 174.56 2wk3 s ALA 88 N -0.88 0.02 0.03 5.45 0.00 -0.50 -0.07 121.76 125.82 2wk3 s ALA 88 Ca -0.04 -0.75 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 2wk3 s ALA 88 Cb -0.01 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.46 2wk3 s ALA 88 CO 0.04 -0.40 0.22 0.00 0.00 0.00 0.00 175.76 175.61 2wk3 s ALA 89 N -3.43 -0.46 -0.01 0.00 0.00 -0.09 -1.52 121.76 116.24 2wk3 s ALA 89 Ca 0.02 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.84 2wk3 s ALA 89 Cb 0.04 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.41 2wk3 s ALA 89 CO -0.08 -0.34 -0.02 -1.17 0.00 0.00 0.00 175.76 174.15 2wk3 s LEU 90 N -1.91 1.64 -0.09 0.00 0.20 -0.15 -1.29 118.68 117.07 2wk3 s LEU 90 Ca -0.07 -0.05 0.01 0.00 0.69 0.00 0.00 54.13 54.71 2wk3 s LEU 90 Cb -0.02 -0.20 0.02 0.00 -0.43 0.00 0.00 46.19 45.55 2wk3 s LEU 90 CO -0.02 -0.02 -0.12 -0.62 -0.29 0.00 0.00 176.35 175.28 2wk3 s ASP 91 N 0.40 2.13 -0.15 3.68 2.15 0.23 -0.71 116.67 124.40 2wk3 s ASP 91 Ca -0.04 -0.35 -0.04 0.00 0.43 0.00 0.00 52.55 52.55 2wk3 s ASP 91 Cb -0.07 -0.93 -0.03 0.00 -0.30 0.00 0.00 42.92 41.59 2wk3 s ASP 91 CO -0.01 -0.01 -0.01 -0.69 -0.17 0.00 0.00 175.17 174.29 2wk3 s VAL 92 N 1.03 4.16 0.00 1.11 1.01 0.54 -1.20 120.40 127.04 2wk3 s VAL 92 Ca -0.07 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2wk3 s VAL 92 Cb -0.15 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.41 2wk3 s VAL 92 CO -0.01 0.50 1.70 1.57 0.00 0.00 0.00 175.10 178.86 2wk3 n HIS 93 N 3.31 0.00 -4.43 5.22 -0.00 0.62 -0.51 115.22 119.45 2wk3 n HIS 93 Ca -0.17 -0.85 -0.21 0.00 0.46 0.00 0.00 57.72 56.95 2wk3 n HIS 93 Cb 0.53 -0.45 -0.14 0.00 -0.12 0.00 0.00 29.99 29.81 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 0.16 1.17 0.00 3.57 -1.09 -1.02 -4.73 121.20 119.26 2wk3 s ILE 94 Ca 0.00 -0.96 0.00 0.00 -2.23 0.00 0.00 60.65 57.46 2wk3 s ILE 94 Cb 0.00 -1.04 0.00 0.00 -1.58 0.00 0.00 42.46 39.84 2wk3 s ILE 94 CO 0.00 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.39 2wk3 n GLY 95 N 2.01 3.35 0.33 6.18 0.00 -1.24 -2.03 105.19 113.80 2wk3 n GLY 95 Ca -0.17 -0.73 0.26 0.00 0.00 0.00 0.00 46.02 45.38 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 0.39 0.47 1.61 0.02 -0.76 0.11 113.55 115.38 2wk3 h SER 96 Ca 0.00 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2wk3 h SER 96 Cb 0.00 0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2wk3 h SER 96 CO 0.00 -0.26 0.00 -0.07 -1.14 0.00 0.00 176.83 175.36 2wk3 h LEU 97 N 0.19 0.00 -2.79 5.07 4.07 -1.17 -0.41 115.31 120.26 2wk3 h LEU 97 Ca 0.77 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.73 2wk3 h LEU 97 Cb 1.85 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.59 2wk3 h LEU 97 CO -0.68 0.00 0.00 -1.20 -1.08 0.00 0.00 178.44 175.48 2wk3 n SER 98 N -2.36 3.87 -4.69 -0.43 7.64 0.38 -4.86 113.62 113.16 2wk3 n SER 98 Ca 0.00 -2.02 -0.39 0.00 1.01 0.00 0.00 58.87 57.47 2wk3 n SER 98 Cb 0.16 -0.46 0.04 0.00 -1.01 0.00 0.00 64.21 62.93 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 1.48 2.11 -4.74 6.43 10.43 -0.17 -4.92 116.55 127.17 2wk3 n ASP 99 Ca 0.23 0.97 -0.42 0.00 2.57 0.00 0.00 54.79 58.14 2wk3 n ASP 99 Cb 0.61 -1.50 -0.01 0.00 1.84 0.00 0.00 41.12 42.06 2wk3 n ASP 99 CO 0.00 0.00 0.00 -2.65 -1.07 0.00 0.00 177.20 173.48 2wk3 n PRO 100 N -0.70 2.50 0.29 -0.24 -0.02 -1.26 -4.83 135.00 130.75 2wk3 n PRO 100 Ca 0.10 0.88 0.15 0.00 -2.02 0.00 0.00 63.50 62.61 2wk3 n PRO 100 Cb 0.44 -2.59 0.89 0.00 -0.02 0.00 0.00 33.50 32.22 2wk3 n PRO 100 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2wk3 h PRO 101 N 3.57 0.00 -0.12 0.52 0.13 -1.97 -0.30 132.00 133.84 2wk3 h PRO 101 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.70 0.01 0.00 0.27 -0.23 0.00 0.00 178.00 178.75 2wk3 n ASN 102 N -3.85 1.20 -3.06 1.44 2.04 -1.26 -4.45 115.26 107.32 2wk3 n ASN 102 Ca -0.03 -1.62 -0.18 0.00 -0.44 0.00 0.00 54.58 52.31 2wk3 n ASN 102 Cb 0.10 -0.07 -0.02 0.00 -2.53 0.00 0.00 39.78 37.25 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 0.01 -0.36 -1.65 1.53 5.41 -0.12 -4.92 119.36 119.25 2wk3 n ILE 103 Ca 0.16 -3.40 -0.50 0.00 1.00 0.00 0.00 62.75 60.00 2wk3 n ILE 103 Cb 0.26 -0.51 -0.05 0.00 -0.71 0.00 0.00 39.64 38.62 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 1.08 0.25 -0.00 -1.39 0.00 -1.25 -2.11 120.51 117.08 2wk3 n ALA 104 Ca 0.18 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.05 2wk3 n ALA 104 Cb 0.60 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 3.40 0.46 0.24 0.00 0.00 -1.21 -4.27 105.19 103.81 2wk3 n GLY 105 Ca 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 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 0.35 -0.45 0.99 5.85 -1.72 0.47 115.31 120.80 2wk3 h LEU 106 Ca 0.00 0.06 -0.17 0.00 0.84 0.00 0.00 57.88 58.61 2wk3 h LEU 106 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2wk3 h LEU 106 CO 0.00 0.21 -0.76 0.77 -0.34 0.00 0.00 178.44 178.33 2wk3 h SER 107 N 0.51 0.26 -0.37 1.25 4.64 -1.90 0.24 113.55 118.17 2wk3 h SER 107 Ca 0.30 -0.18 -0.04 0.00 -0.47 0.00 0.00 61.79 61.40 2wk3 h SER 107 Cb 0.31 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 2wk3 h SER 107 CO -0.26 0.92 0.07 -0.74 -0.87 0.00 0.00 176.83 175.95 2wk3 h HIS 108 N 0.14 0.63 -0.95 4.77 -0.00 -1.57 -1.83 115.15 116.35 2wk3 h HIS 108 Ca -0.03 -0.08 0.02 0.00 -0.00 0.00 0.00 60.37 60.28 2wk3 h HIS 108 Cb 1.33 -0.18 -0.05 0.00 -0.00 0.00 0.00 27.41 28.51 2wk3 h HIS 108 CO 0.03 0.64 0.63 0.35 -0.00 0.00 0.00 177.93 179.57 2wk3 h PHE 109 N 0.44 1.18 -0.80 5.26 3.57 0.20 -0.40 116.94 126.40 2wk3 h PHE 109 Ca 0.11 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.68 2wk3 h PHE 109 Cb 0.34 -0.40 -0.05 0.00 2.79 0.00 0.00 35.95 38.63 2wk3 h PHE 109 CO 0.02 0.73 0.51 1.25 -2.23 0.00 0.00 178.31 178.59 2wk3 h LEU 110 N 1.26 0.83 -0.89 0.59 6.46 -0.35 -1.73 115.31 121.48 2wk3 h LEU 110 Ca 0.36 -0.00 0.07 0.00 -0.12 0.00 0.00 57.88 58.19 2wk3 h LEU 110 Cb -0.11 -0.18 -0.07 0.00 -0.73 0.00 0.00 40.66 39.57 2wk3 h LEU 110 CO -0.09 0.57 0.55 -0.61 -0.62 0.00 0.00 178.44 178.24 2wk3 h GLN 111 N 0.98 0.95 -0.29 1.25 4.15 -0.22 -0.71 115.11 121.22 2wk3 h GLN 111 Ca 0.33 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.63 2wk3 h GLN 111 Cb 0.04 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 2wk3 h GLN 111 CO -0.12 0.63 -0.06 0.45 -1.93 0.00 0.00 178.83 177.80 2wk3 h HIS 112 N 0.98 0.62 0.00 3.99 3.86 -0.66 -3.17 115.15 120.77 2wk3 h HIS 112 Ca 0.40 -0.13 -0.04 0.00 -1.16 0.00 0.00 60.37 59.44 2wk3 h HIS 112 Cb 0.22 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 2wk3 h HIS 112 CO -0.03 0.74 -0.19 0.52 0.86 0.00 0.00 177.93 179.83 2wk3 h MET 113 N 0.32 0.00 0.00 2.45 2.86 -0.53 -2.56 114.93 117.46 2wk3 h MET 113 Ca 0.08 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2wk3 h MET 113 Cb 0.53 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 2wk3 h MET 113 CO 0.03 0.19 -0.02 -0.07 1.06 0.00 0.00 176.91 178.10 2wk3 h LEU 114 N 0.00 0.00 -0.01 1.22 3.38 -1.14 -1.42 115.31 117.34 2wk3 h LEU 114 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wk3 h LEU 114 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2wk3 h LEU 114 CO 0.02 0.02 -0.04 0.49 0.09 0.00 0.00 178.44 179.02 2wk3 n PHE 115 N -3.38 0.00 -1.12 1.13 3.01 -0.96 -4.15 117.46 112.00 2wk3 n PHE 115 Ca -0.03 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.42 2wk3 n PHE 115 Cb 0.11 -0.41 0.27 0.00 -0.01 0.00 0.00 39.48 39.44 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 -1.42 5.01 0.00 4.37 4.77 -0.54 -4.70 117.00 124.49 2wk3 n LEU 116 Ca 0.09 -3.28 0.00 0.00 -0.03 0.00 0.00 56.01 52.79 2wk3 n LEU 116 Cb 0.31 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 2wk3 n LEU 116 CO 0.26 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 2wk3 n GLY 117 N -0.48 3.88 3.58 -0.72 0.00 -1.25 -4.42 105.19 105.78 2wk3 n GLY 117 Ca 0.33 -1.44 -0.27 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.28 1.46 0.31 2.61 -4.23 -1.07 0.06 115.64 113.49 2wk3 s THR 118 Ca 0.00 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 2wk3 s THR 118 Cb 0.00 -2.72 0.29 0.00 1.34 0.00 0.00 72.50 71.41 2wk3 s THR 118 CO 0.00 0.00 1.90 0.50 -0.54 0.00 0.00 174.62 176.48 2wk3 h LYS 119 N 1.80 0.95 0.00 3.99 3.64 -1.47 -1.47 116.57 124.01 2wk3 h LYS 119 Ca -0.42 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2wk3 h LYS 119 Cb 1.26 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2wk3 h LYS 119 CO 0.74 0.63 -1.13 1.17 -2.27 0.00 0.00 179.45 178.59 2wk3 n LYS 120 N -4.51 0.61 -3.29 1.90 4.81 -1.26 -4.35 118.16 112.06 2wk3 n LYS 120 Ca 0.15 0.08 -0.25 0.00 -0.87 0.00 0.00 58.31 57.42 2wk3 n LYS 120 Cb 0.25 -1.79 -0.08 0.00 0.02 0.00 0.00 35.03 33.43 2wk3 n LYS 120 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2wk3 n TYR 121 N -2.63 -0.44 0.31 5.64 4.02 -0.99 -5.00 117.16 118.07 2wk3 n TYR 121 Ca -0.01 -3.48 0.13 0.00 -0.01 0.00 0.00 57.90 54.54 2wk3 n TYR 121 Cb 0.55 -0.10 0.32 0.00 -0.02 0.00 0.00 39.34 40.10 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 4.71 0.00 -6.32 -0.72 0.13 -1.48 -2.83 132.00 125.50 2wk3 h PRO 122 Ca 0.16 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.65 2wk3 h PRO 122 Cb 0.88 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.05 2wk3 h PRO 122 CO 0.44 0.00 0.87 1.17 -0.23 0.00 0.00 178.00 180.24 2wk3 n LYS 123 N -2.90 1.80 -0.29 0.86 4.81 -1.26 -4.68 118.16 116.50 2wk3 n LYS 123 Ca 0.04 0.66 0.25 0.00 -0.87 0.00 0.00 58.31 58.38 2wk3 n LYS 123 Cb 0.45 -2.42 0.57 0.00 0.02 0.00 0.00 35.03 33.66 2wk3 n LYS 123 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2wk3 h GLU 124 N 7.09 0.28 -0.08 1.64 4.81 -1.87 -0.95 114.58 125.49 2wk3 h GLU 124 Ca -0.47 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.71 2wk3 h GLU 124 Cb 1.29 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 2wk3 h GLU 124 CO 0.90 0.18 -0.28 0.27 -0.73 0.00 0.00 179.01 179.36 2wk3 n ASN 125 N -4.48 2.12 -0.15 1.04 2.04 -1.26 -3.92 115.26 110.65 2wk3 n ASN 125 Ca 0.23 -3.66 -0.01 0.00 -0.44 0.00 0.00 54.58 50.70 2wk3 n ASN 125 Cb 0.91 -0.53 0.22 0.00 -2.53 0.00 0.00 39.78 37.85 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 0.82 0.85 0.17 -3.83 4.57 -1.48 -0.09 114.58 115.60 2wk3 h GLU 126 Ca 0.04 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 2wk3 h GLU 126 Cb 1.15 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.59 2wk3 h GLU 126 CO 0.09 0.70 -0.08 -0.92 -1.18 0.00 0.00 179.01 177.61 2wk3 h TYR 127 N 0.84 -0.21 -0.67 0.92 5.03 -1.84 -1.17 116.97 119.87 2wk3 h TYR 127 Ca 0.20 -0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.44 2wk3 h TYR 127 Cb 0.16 0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.48 2wk3 h TYR 127 CO 0.01 0.21 0.14 0.66 -1.32 0.00 0.00 178.16 177.87 2wk3 h SER 128 N -0.78 1.04 -0.87 -2.11 4.64 -1.86 -0.92 113.55 112.69 2wk3 h SER 128 Ca -0.02 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 2wk3 h SER 128 Cb 0.52 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.30 2wk3 h SER 128 CO 0.04 1.02 0.50 -0.61 -0.87 0.00 0.00 176.83 176.90 2wk3 h GLN 129 N 1.01 1.20 -0.38 4.77 4.15 -1.06 0.02 115.11 124.83 2wk3 h GLN 129 Ca 0.21 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 2wk3 h GLN 129 Cb 0.40 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 2wk3 h GLN 129 CO 0.01 0.86 0.21 0.35 -1.93 0.00 0.00 178.83 178.32 2wk3 h PHE 130 N 1.21 0.53 0.15 3.99 3.57 -0.86 -1.13 116.94 124.40 2wk3 h PHE 130 Ca 0.31 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 2wk3 h PHE 130 Cb -0.01 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 2wk3 h PHE 130 CO 0.00 0.42 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.35 2wk3 h LEU 131 N 0.49 -0.21 -0.89 0.59 3.38 -0.48 -2.17 115.31 116.01 2wk3 h LEU 131 Ca 0.13 0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.26 2wk3 h LEU 131 Cb 0.07 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.79 2wk3 h LEU 131 CO -0.02 -0.14 0.49 -1.28 0.09 0.00 0.00 178.44 177.58 2wk3 h SER 132 N -0.22 0.64 0.48 -0.43 0.87 -0.81 0.31 113.55 114.38 2wk3 h SER 132 Ca -0.01 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2wk3 h SER 132 Cb 0.19 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2wk3 h SER 132 CO 0.02 0.28 -0.04 -0.62 -0.53 0.00 0.00 176.83 175.94 2wk3 n GLU 133 N -4.81 0.53 -1.07 2.24 1.02 -0.44 -2.99 120.64 115.12 2wk3 n GLU 133 Ca 0.18 -0.07 0.03 0.00 -0.02 0.00 0.00 57.16 57.28 2wk3 n GLU 133 Cb 0.43 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.48 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 -1.18 0.22 -2.95 -0.32 8.25 0.09 -4.59 115.22 114.75 2wk3 n HIS 134 Ca 0.15 -1.24 -0.20 0.00 -0.26 0.00 0.00 57.72 56.17 2wk3 n HIS 134 Cb 0.25 -0.22 0.03 0.00 1.12 0.00 0.00 29.99 31.17 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 -0.54 -0.87 -3.99 -1.41 0.00 -0.67 -1.31 120.51 111.71 2wk3 n ALA 135 Ca 0.16 0.26 -0.16 0.00 0.00 0.00 0.00 53.44 53.70 2wk3 n ALA 135 Cb 0.86 -3.59 -0.01 0.00 0.00 0.00 0.00 19.45 16.71 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 -1.46 3.31 3.59 0.00 0.00 0.85 -4.18 105.19 107.29 2wk3 n GLY 136 Ca -0.10 -2.26 -0.08 0.00 0.00 0.00 0.00 46.02 43.58 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 -2.58 -0.37 0.03 1.61 1.04 -0.38 -4.23 113.70 108.82 2wk3 s SER 137 Ca 0.09 -0.18 -0.14 0.00 0.48 0.00 0.00 55.95 56.20 2wk3 s SER 137 Cb -0.01 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.66 2wk3 s SER 137 CO 0.06 -0.91 0.31 -0.55 0.98 0.00 0.00 173.24 173.13 2wk3 s SER 138 N -2.73 -0.14 0.25 7.02 0.15 -1.26 -1.54 113.70 115.44 2wk3 s SER 138 Ca 0.06 -0.11 -0.12 0.00 0.70 0.00 0.00 55.95 56.49 2wk3 s SER 138 Cb -0.02 0.34 0.04 0.00 -1.71 0.00 0.00 66.02 64.68 2wk3 s SER 138 CO -0.05 -0.56 0.60 -3.20 1.20 0.00 0.00 173.24 171.22 2wk3 n ASN 139 N 0.79 -1.56 -3.55 5.45 2.85 -0.05 -5.00 115.26 114.19 2wk3 n ASN 139 Ca -0.19 -2.03 -0.14 0.00 -0.11 0.00 0.00 54.58 52.10 2wk3 n ASN 139 Cb 0.58 2.58 -0.06 0.00 1.24 0.00 0.00 39.78 44.13 2wk3 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2wk3 s ALA 140 N -1.76 -1.85 0.13 5.20 0.00 -1.26 -1.18 121.76 121.04 2wk3 s ALA 140 Ca 0.12 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.54 2wk3 s ALA 140 Cb -0.03 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 2wk3 s ALA 140 CO 0.08 -0.34 0.01 -0.59 0.00 0.00 0.00 175.76 174.91 2wk3 s PHE 141 N -1.14 0.92 -0.17 0.00 -0.71 -0.16 -4.99 117.98 111.74 2wk3 s PHE 141 Ca -0.06 -1.10 0.01 0.00 -1.04 0.00 0.00 56.93 54.74 2wk3 s PHE 141 Cb -0.00 -0.54 0.03 0.00 -1.21 0.00 0.00 43.02 41.30 2wk3 s PHE 141 CO 0.06 -0.35 -0.14 0.99 -1.34 0.00 0.00 175.22 174.44 2wk3 s THR 142 N -3.84 1.70 0.00 -4.49 2.01 -1.26 -1.56 115.64 108.19 2wk3 s THR 142 Ca 0.20 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.38 2wk3 s THR 142 Cb 0.07 -1.63 0.00 0.00 0.01 0.00 0.00 72.50 70.95 2wk3 s THR 142 CO -0.00 0.39 0.00 -1.54 -0.69 0.00 0.00 174.62 172.77 2wk3 n SER 143 N 4.71 0.98 0.17 3.53 3.41 -0.10 -4.92 113.62 121.41 2wk3 n SER 143 Ca -0.17 -0.81 0.05 0.00 -0.26 0.00 0.00 58.87 57.67 2wk3 n SER 143 Cb 0.49 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.93 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 0.14 0.00 5.00 0.00 -1.94 -1.61 103.07 104.66 2wk3 h GLY 144 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2wk3 h GLY 144 CO 0.00 0.07 0.00 1.18 0.00 0.00 0.00 176.54 177.79 2wk3 n GLU 145 N -4.38 -0.14 -4.08 4.80 1.02 -1.26 -0.70 120.64 115.89 2wk3 n GLU 145 Ca -0.01 -0.37 -0.11 0.00 -0.02 0.00 0.00 57.16 56.64 2wk3 n GLU 145 Cb 0.19 -0.74 -0.11 0.00 -0.02 0.00 0.00 31.44 30.76 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 -0.09 0.66 -0.09 -0.32 3.76 -1.23 -2.44 115.29 115.55 2wk3 s HIS 146 Ca 0.00 -0.66 0.00 0.00 -0.15 0.00 0.00 55.06 54.26 2wk3 s HIS 146 Cb 0.00 -0.40 0.02 0.00 1.11 0.00 0.00 32.58 33.31 2wk3 s HIS 146 CO 0.00 -0.14 -0.07 0.99 -0.85 0.00 0.00 174.74 174.67 2wk3 s THR 147 N -2.17 0.92 -0.12 1.30 2.01 0.34 -0.93 115.64 116.99 2wk3 s THR 147 Ca -0.04 -0.26 -0.00 0.00 0.31 0.00 0.00 61.69 61.70 2wk3 s THR 147 Cb -0.05 -0.93 0.02 0.00 0.01 0.00 0.00 72.50 71.56 2wk3 s THR 147 CO -0.02 0.34 -0.09 0.21 -0.69 0.00 0.00 174.62 174.37 2wk3 s ASN 148 N 1.43 2.25 -0.03 3.53 3.84 -0.60 -0.34 114.94 125.02 2wk3 s ASN 148 Ca -0.01 -0.33 0.06 0.00 0.21 0.00 0.00 52.86 52.79 2wk3 s ASN 148 Cb -0.13 -0.90 -0.01 0.00 -0.55 0.00 0.00 41.25 39.65 2wk3 s ASN 148 CO -0.04 -0.10 -0.22 -0.31 -2.79 0.00 0.00 177.10 173.64 2wk3 s TYR 149 N 1.62 2.03 0.06 0.43 1.51 0.11 -0.99 117.35 122.12 2wk3 s TYR 149 Ca 0.04 -0.45 -0.25 0.00 -1.01 0.00 0.00 57.07 55.41 2wk3 s TYR 149 Cb -0.13 -1.32 0.06 0.00 -0.11 0.00 0.00 41.96 40.47 2wk3 s TYR 149 CO -0.08 -0.08 0.58 1.52 -1.11 0.00 0.00 175.55 176.38 2wk3 s TYR 150 N -0.39 -0.52 0.06 2.71 -0.85 -0.32 -0.98 117.35 117.06 2wk3 s TYR 150 Ca 0.05 0.59 -0.18 0.00 -0.52 0.00 0.00 57.07 57.01 2wk3 s TYR 150 Cb -0.10 0.42 0.04 0.00 0.38 0.00 0.00 41.96 42.70 2wk3 s TYR 150 CO 0.00 -0.70 0.42 -0.59 -1.52 0.00 0.00 175.55 173.17 2wk3 s PHE 151 N -2.52 -0.27 0.25 -3.49 -0.12 -0.58 -0.87 117.98 110.38 2wk3 s PHE 151 Ca -0.05 0.18 0.11 0.00 -0.05 0.00 0.00 56.93 57.12 2wk3 s PHE 151 Cb -0.01 0.24 -0.05 0.00 -0.63 0.00 0.00 43.02 42.58 2wk3 s PHE 151 CO -0.02 -0.61 -0.16 0.16 -0.05 0.00 0.00 175.22 174.54 2wk3 s ASP 152 N -2.18 3.81 0.22 1.98 3.84 -0.59 -1.40 116.67 122.34 2wk3 s ASP 152 Ca -0.03 -0.89 -0.10 0.00 -0.00 0.00 0.00 52.55 51.52 2wk3 s ASP 152 Cb -0.00 -0.44 -0.01 0.00 -1.38 0.00 0.00 42.92 41.09 2wk3 s ASP 152 CO -0.05 0.05 0.38 0.54 -0.00 0.00 0.00 175.17 176.10 2wk3 s VAL 153 N -2.26 0.02 0.22 2.11 0.11 0.07 -1.24 120.40 119.42 2wk3 s VAL 153 Ca 0.28 -1.44 -0.31 0.00 -2.93 0.00 0.00 61.98 57.58 2wk3 s VAL 153 Cb -0.06 -2.11 -0.15 0.00 -1.53 0.00 0.00 36.38 32.53 2wk3 s VAL 153 CO 0.15 -0.08 1.14 -0.24 -3.33 0.00 0.00 175.10 172.74 2wk3 n SER 154 N -0.32 1.50 0.26 3.54 2.88 -0.43 -0.10 113.62 120.96 2wk3 n SER 154 Ca -0.03 1.15 0.11 0.00 -1.33 0.00 0.00 58.87 58.77 2wk3 n SER 154 Cb 0.63 -1.27 0.72 0.00 -0.75 0.00 0.00 64.21 63.54 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 3.00 0.00 0.00 0.66 2.07 -1.48 -0.11 115.15 119.29 2wk3 h HIS 155 Ca -0.42 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.10 2wk3 h HIS 155 Cb 1.33 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.31 2wk3 h HIS 155 CO 0.52 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 175.77 2wk3 n GLU 156 N -4.32 0.00 -0.67 5.12 4.71 -1.26 -3.54 120.64 120.67 2wk3 n GLU 156 Ca -0.02 0.26 0.05 0.00 -0.01 0.00 0.00 57.16 57.44 2wk3 n GLU 156 Cb 0.11 -1.50 0.11 0.00 -1.01 0.00 0.00 31.44 29.15 2wk3 n GLU 156 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2wk3 n HIS 157 N -1.50 0.00 0.08 -0.32 -0.00 -0.06 -4.83 115.22 108.59 2wk3 n HIS 157 Ca 0.03 -0.88 -0.13 0.00 -0.00 0.00 0.00 57.72 56.74 2wk3 n HIS 157 Cb 0.16 -0.17 -0.06 0.00 -0.00 0.00 0.00 29.99 29.92 2wk3 n HIS 157 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2wk3 h LEU 158 N 0.59 -1.17 -0.46 2.41 6.46 -1.62 -1.47 115.31 120.04 2wk3 h LEU 158 Ca -0.06 0.14 0.08 0.00 -0.12 0.00 0.00 57.88 57.92 2wk3 h LEU 158 Cb 1.29 0.46 -0.06 0.00 -0.73 0.00 0.00 40.66 41.61 2wk3 h LEU 158 CO 0.02 -0.45 0.09 -0.08 -0.62 0.00 0.00 178.44 177.41 2wk3 h GLU 159 N -0.57 0.21 -0.32 1.25 4.81 -1.90 0.34 114.58 118.41 2wk3 h GLU 159 Ca 0.04 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2wk3 h GLU 159 Cb 0.64 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 2wk3 h GLU 159 CO -0.28 0.14 0.20 0.78 -0.73 0.00 0.00 179.01 179.12 2wk3 h GLY 160 N 0.22 0.45 1.26 1.92 0.00 -1.91 0.12 103.07 105.13 2wk3 h GLY 160 Ca 0.23 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.31 2wk3 h GLY 160 CO -0.30 0.15 -0.01 0.00 0.00 0.00 0.00 176.54 176.38 2wk3 h ALA 161 N 1.12 1.00 -0.07 3.60 0.00 -0.14 -2.86 119.26 121.91 2wk3 h ALA 161 Ca 0.12 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.55 2wk3 h ALA 161 Cb -0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2wk3 h ALA 161 CO -0.03 0.61 -0.75 1.25 0.00 0.00 0.00 179.25 180.33 2wk3 h LEU 162 N 0.83 0.50 -0.47 0.00 5.85 0.27 -2.03 115.31 120.25 2wk3 h LEU 162 Ca 0.15 -0.34 -0.07 0.00 0.84 0.00 0.00 57.88 58.47 2wk3 h LEU 162 Cb 0.50 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2wk3 h LEU 162 CO 0.02 1.09 0.03 -0.78 -0.34 0.00 0.00 178.44 178.46 2wk3 h ASP 163 N 0.28 0.80 -0.11 1.25 -0.00 -0.77 0.50 116.42 118.37 2wk3 h ASP 163 Ca -0.04 -0.29 -0.11 0.00 -0.00 0.00 0.00 57.03 56.59 2wk3 h ASP 163 Cb 1.34 -0.21 -0.01 0.00 -0.00 0.00 0.00 39.33 40.44 2wk3 h ASP 163 CO 0.13 0.89 -0.30 0.03 -0.00 0.00 0.00 179.24 179.99 2wk3 h ARG 164 N 0.68 0.59 -0.19 0.28 3.08 -1.29 -2.96 114.38 114.57 2wk3 h ARG 164 Ca 0.14 -0.25 -0.18 0.00 0.07 0.00 0.00 59.98 59.75 2wk3 h ARG 164 Cb 0.47 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.51 2wk3 h ARG 164 CO 0.02 0.82 -0.59 0.35 -1.07 0.00 0.00 179.97 179.50 2wk3 h PHE 165 N 0.51 0.96 -0.53 3.04 3.04 -0.91 -2.69 116.94 120.36 2wk3 h PHE 165 Ca 0.06 -0.39 0.14 0.00 3.98 0.00 0.00 57.97 61.77 2wk3 h PHE 165 Cb 0.77 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 39.10 2wk3 h PHE 165 CO 0.03 1.20 0.38 0.00 -2.02 0.00 0.00 178.31 177.89 2wk3 h ALA 166 N 0.58 2.43 0.00 2.41 0.00 0.15 -1.55 119.26 123.28 2wk3 h ALA 166 Ca -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2wk3 h ALA 166 Cb 1.22 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2wk3 h ALA 166 CO 0.13 -0.58 -0.08 1.96 0.00 0.00 0.00 179.25 180.67 2wk3 h GLN 167 N 0.05 0.00 -1.10 0.00 1.08 -1.37 0.37 115.11 114.15 2wk3 h GLN 167 Ca 0.25 0.00 0.30 0.00 -1.45 0.00 0.00 58.65 57.76 2wk3 h GLN 167 Cb 0.94 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.30 2wk3 h GLN 167 CO -0.01 0.08 0.76 0.74 -0.95 0.00 0.00 178.83 179.44 2wk3 h PHE 168 N 0.00 0.27 -0.55 2.96 -1.00 -1.41 0.08 116.94 117.30 2wk3 h PHE 168 Ca -0.00 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.79 2wk3 h PHE 168 Cb 0.23 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 39.71 2wk3 h PHE 168 CO 0.00 0.02 0.00 1.19 -1.61 0.00 0.00 178.31 177.91 2wk3 n PHE 169 N -4.38 0.75 0.05 -0.55 3.72 0.12 -4.32 117.46 112.85 2wk3 n PHE 169 Ca 0.25 -0.50 0.00 0.00 -0.05 0.00 0.00 57.45 57.14 2wk3 n PHE 169 Cb 1.07 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 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 1.09 0.69 -2.71 4.37 4.77 -0.13 -4.84 117.00 120.25 2wk3 n LEU 170 Ca 0.18 0.14 -0.06 0.00 -0.03 0.00 0.00 56.01 56.24 2wk3 n LEU 170 Cb 0.54 -0.17 0.04 0.00 -2.33 0.00 0.00 43.42 41.49 2wk3 n LEU 170 CO 0.13 -0.58 -0.09 -1.20 -1.33 0.00 0.00 177.39 174.32 2wk3 n SER 171 N -3.35 1.49 -4.71 -1.43 7.64 -0.37 -5.07 113.62 107.82 2wk3 n SER 171 Ca 0.00 -2.52 -0.42 0.00 1.01 0.00 0.00 58.87 56.94 2wk3 n SER 171 Cb 0.11 -0.52 -0.01 0.00 -1.01 0.00 0.00 64.21 62.79 2wk3 n SER 171 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2wk3 n PRO 172 N -0.21 2.20 0.17 1.43 -0.04 -1.25 -1.22 135.00 136.07 2wk3 n PRO 172 Ca 0.09 0.77 0.01 0.00 -0.04 0.00 0.00 63.50 64.33 2wk3 n PRO 172 Cb 0.81 -2.38 0.31 0.00 -0.04 0.00 0.00 33.50 32.21 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 2.74 0.03 -3.10 1.53 3.38 -0.66 -3.45 115.31 115.78 2wk3 h LEU 173 Ca -0.47 -0.01 -0.38 0.00 0.09 0.00 0.00 57.88 57.12 2wk3 h LEU 173 Cb 1.28 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.96 2wk3 h LEU 173 CO 0.64 0.44 -0.62 0.49 0.09 0.00 0.00 178.44 179.49 2wk3 n PHE 174 N -4.04 -0.81 -1.55 1.13 3.01 -1.26 -4.80 117.46 109.14 2wk3 n PHE 174 Ca -0.02 0.16 -0.44 0.00 1.01 0.00 0.00 57.45 58.17 2wk3 n PHE 174 Cb 0.45 -1.70 -0.01 0.00 -0.01 0.00 0.00 39.48 38.21 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 -1.23 0.69 -0.18 4.37 2.03 -1.26 -4.79 116.55 116.18 2wk3 n ASP 175 Ca -0.12 1.11 -0.07 0.00 0.52 0.00 0.00 54.79 56.24 2wk3 n ASP 175 Cb 0.38 -1.23 0.09 0.00 -0.72 0.00 0.00 41.12 39.63 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 1.64 0.97 0.12 -0.67 4.57 -1.99 0.37 114.58 119.58 2wk3 h GLU 176 Ca -0.39 -0.27 -0.27 0.00 -1.18 0.00 0.00 59.36 57.24 2wk3 h GLU 176 Cb 1.36 -0.11 0.01 0.00 -0.16 0.00 0.00 28.75 29.85 2wk3 h GLU 176 CO 0.58 0.94 -1.23 1.03 -1.18 0.00 0.00 179.01 179.15 2wk3 h SER 177 N 0.90 0.47 -0.62 1.04 0.87 -2.00 -2.04 113.55 112.18 2wk3 h SER 177 Ca 0.17 -0.49 -0.02 0.00 -1.23 0.00 0.00 61.79 60.22 2wk3 h SER 177 Cb 0.48 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 2wk3 h SER 177 CO 0.02 1.37 0.29 0.00 -0.53 0.00 0.00 176.83 177.98 2wk3 h ALA 178 N 0.57 0.80 -0.26 6.23 0.00 -1.88 -1.91 119.26 122.80 2wk3 h ALA 178 Ca -0.14 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.68 2wk3 h ALA 178 Cb 1.94 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.44 2wk3 h ALA 178 CO 0.21 0.37 -0.01 -0.22 0.00 0.00 0.00 179.25 179.59 2wk3 h LYS 179 N 0.85 0.07 -0.29 0.00 3.64 -0.80 0.18 116.57 120.21 2wk3 h LYS 179 Ca 0.21 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2wk3 h LYS 179 Cb 0.13 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2wk3 h LYS 179 CO -0.03 0.04 0.19 -0.44 -2.27 0.00 0.00 179.45 176.95 2wk3 h ASP 180 N 0.07 0.33 0.00 4.20 3.32 -1.02 -2.75 116.42 120.58 2wk3 h ASP 180 Ca 0.12 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 2wk3 h ASP 180 Cb 0.17 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2wk3 h ASP 180 CO -0.22 0.24 -0.00 0.03 -1.72 0.00 0.00 179.24 177.57 2wk3 h ARG 181 N 0.39 -0.00 0.00 3.56 3.08 -0.92 -3.38 114.38 117.11 2wk3 h ARG 181 Ca 0.11 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 2wk3 h ARG 181 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2wk3 h ARG 181 CO -0.02 0.89 -0.18 1.49 -1.07 0.00 0.00 179.97 181.07 2wk3 h GLU 182 N -0.99 0.00 -0.18 0.04 4.57 -0.54 -1.15 114.58 116.33 2wk3 h GLU 182 Ca -0.00 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.23 2wk3 h GLU 182 Cb 0.89 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 2wk3 h GLU 182 CO 0.00 0.18 0.19 -0.24 -1.18 0.00 0.00 179.01 177.96 2wk3 h VAL 183 N 0.00 0.50 -0.27 0.32 3.04 -1.66 0.70 116.25 118.88 2wk3 h VAL 183 Ca -0.00 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.50 2wk3 h VAL 183 Cb 0.54 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 2wk3 h VAL 183 CO 0.02 0.00 -0.57 0.78 -1.01 0.00 0.00 177.57 176.79 2wk3 h ASN 184 N 0.00 0.98 -0.39 3.17 4.21 -1.43 -1.36 115.58 120.76 2wk3 h ASN 184 Ca 0.09 -0.54 0.07 0.00 1.21 0.00 0.00 56.30 57.12 2wk3 h ASN 184 Cb 0.47 -0.28 -0.06 0.00 -1.12 0.00 0.00 38.32 37.33 2wk3 h ASN 184 CO -0.00 1.34 0.02 0.00 -1.29 0.00 0.00 177.43 177.51 2wk3 h ALA 185 N 0.66 0.38 -0.81 -0.83 0.00 -0.98 0.40 119.26 118.09 2wk3 h ALA 185 Ca 0.01 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2wk3 h ALA 185 Cb 1.19 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 2wk3 h ALA 185 CO 0.13 -0.37 0.44 0.28 0.00 0.00 0.00 179.25 179.72 2wk3 h VAL 186 N 0.13 1.24 -0.84 0.00 2.07 -1.38 -0.22 116.25 117.25 2wk3 h VAL 186 Ca 0.19 -0.61 0.09 0.00 0.82 0.00 0.00 66.70 67.19 2wk3 h VAL 186 Cb 0.26 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.13 2wk3 h VAL 186 CO -0.30 0.27 0.50 -0.78 0.02 0.00 0.00 177.57 177.28 2wk3 h ASP 187 N 1.12 0.73 -0.26 0.57 3.58 -0.47 -1.10 116.42 120.60 2wk3 h ASP 187 Ca 0.28 0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.71 2wk3 h ASP 187 Cb 0.04 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 2wk3 h ASP 187 CO -0.04 0.43 -0.07 -1.28 -2.88 0.00 0.00 179.24 175.39 2wk3 h SER 188 N 0.85 0.51 -0.41 2.28 0.87 -0.17 0.11 113.55 117.58 2wk3 h SER 188 Ca 0.40 -0.37 0.08 0.00 -1.23 0.00 0.00 61.79 60.66 2wk3 h SER 188 Cb 0.33 -0.14 -0.07 0.00 -0.44 0.00 0.00 62.40 62.08 2wk3 h SER 188 CO -0.23 0.76 -0.00 -0.08 -0.53 0.00 0.00 176.83 176.75 2wk3 h GLU 189 N 0.24 0.10 -0.50 2.24 4.81 -0.79 -0.54 114.58 120.14 2wk3 h GLU 189 Ca 0.06 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 2wk3 h GLU 189 Cb 0.55 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 2wk3 h GLU 189 CO 0.03 0.07 0.07 1.25 -0.73 0.00 0.00 179.01 179.69 2wk3 h HIS 190 N 0.10 0.83 -0.44 0.92 2.76 -0.69 -2.99 115.15 115.64 2wk3 h HIS 190 Ca 0.20 -0.09 -0.00 0.00 -2.20 0.00 0.00 60.37 58.28 2wk3 h HIS 190 Cb 0.29 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 2wk3 h HIS 190 CO -0.28 0.73 0.26 1.49 -1.30 0.00 0.00 177.93 178.83 2wk3 h GLU 191 N 0.76 0.60 0.00 5.26 4.57 0.43 -1.12 114.58 125.08 2wk3 h GLU 191 Ca 0.16 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 2wk3 h GLU 191 Cb 0.36 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2wk3 h GLU 191 CO 0.01 0.45 -0.08 1.57 -1.18 0.00 0.00 179.01 179.78 2wk3 h LYS 192 N 0.58 0.00 0.00 1.92 2.10 -1.00 -2.05 116.57 118.12 2wk3 h LYS 192 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 2wk3 h LYS 192 Cb 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 2wk3 h LYS 192 CO -0.03 0.08 0.00 -0.91 -2.00 0.00 0.00 179.45 176.60 2wk3 h ASN 193 N 0.00 0.00 -0.71 7.07 2.35 -1.20 -3.39 115.58 119.70 2wk3 h ASN 193 Ca -0.00 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.85 2wk3 h ASN 193 Cb 0.21 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.51 2wk3 h ASN 193 CO 0.01 0.00 0.34 0.58 -1.65 0.00 0.00 177.43 176.72 2wk3 h VAL 194 N 0.00 0.83 -0.47 2.81 2.07 -0.70 -1.83 116.25 118.96 2wk3 h VAL 194 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2wk3 h VAL 194 Cb 0.88 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2wk3 h VAL 194 CO 0.00 0.11 0.00 0.23 0.02 0.00 0.00 177.57 177.93 2wk3 n MET 195 N -4.88 4.00 -3.36 1.57 2.81 -1.26 -4.76 117.12 111.24 2wk3 n MET 195 Ca 0.11 -2.97 -0.38 0.00 -1.81 0.00 0.00 57.70 52.64 2wk3 n MET 195 Cb 0.28 -2.03 -0.07 0.00 -0.71 0.00 0.00 33.22 30.69 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 -1.20 6.48 0.37 7.83 2.47 -0.69 -4.86 114.94 125.34 2wk3 s ASN 196 Ca 0.49 0.57 0.04 0.00 0.42 0.00 0.00 52.86 54.37 2wk3 s ASN 196 Cb 0.37 -2.25 0.70 0.00 -1.45 0.00 0.00 41.25 38.61 2wk3 s ASN 196 CO 0.15 -0.09 2.02 0.44 -3.72 0.00 0.00 177.10 175.90 2wk3 h ASP 197 N 7.34 0.66 -0.26 -4.21 5.19 -1.89 -2.16 116.42 121.09 2wk3 h ASP 197 Ca -0.36 -0.02 -0.17 0.00 -0.62 0.00 0.00 57.03 55.86 2wk3 h ASP 197 Cb 1.16 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 40.50 2wk3 h ASP 197 CO 0.72 0.48 -0.50 0.00 -3.12 0.00 0.00 179.24 176.82 2wk3 h ALA 198 N 1.64 0.54 -0.31 3.45 0.00 -1.94 -0.79 119.26 121.85 2wk3 h ALA 198 Ca 0.21 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 2wk3 h ALA 198 Cb -0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2wk3 h ALA 198 CO -0.05 0.68 -0.37 -1.49 0.00 0.00 0.00 179.25 178.02 2wk3 h TRP 199 N 0.66 0.97 -0.05 0.00 4.06 -1.70 -1.08 115.95 118.81 2wk3 h TRP 199 Ca 0.03 -0.31 0.04 0.00 2.06 0.00 0.00 58.89 60.71 2wk3 h TRP 199 Cb 1.09 -0.20 -0.05 0.00 -1.00 0.00 0.00 29.16 29.01 2wk3 h TRP 199 CO 0.06 1.10 -0.25 0.00 -3.56 0.00 0.00 178.44 175.80 2wk3 h ARG 200 N 0.57 -0.34 -0.71 0.49 3.08 -1.40 -2.16 114.38 113.91 2wk3 h ARG 200 Ca 0.04 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 2wk3 h ARG 200 Cb 0.96 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.06 2wk3 h ARG 200 CO 0.09 -0.23 0.30 -0.07 -1.07 0.00 0.00 179.97 178.99 2wk3 h LEU 201 N -0.35 0.95 -0.73 3.04 4.07 -0.95 0.11 115.31 121.45 2wk3 h LEU 201 Ca 0.08 -0.13 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 2wk3 h LEU 201 Cb 0.46 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.92 2wk3 h LEU 201 CO -0.26 0.83 0.41 0.15 -1.08 0.00 0.00 178.44 178.50 2wk3 h PHE 202 N 1.02 1.00 0.12 1.13 3.04 -0.87 -1.56 116.94 120.81 2wk3 h PHE 202 Ca 0.24 -0.02 -0.27 0.00 3.98 0.00 0.00 57.97 61.90 2wk3 h PHE 202 Cb 0.17 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 38.36 2wk3 h PHE 202 CO 0.02 0.70 -1.22 0.37 -2.02 0.00 0.00 178.31 176.15 2wk3 h GLN 203 N 1.01 0.25 -0.74 1.11 5.75 -1.15 -3.16 115.11 118.17 2wk3 h GLN 203 Ca 0.26 -0.43 0.12 0.00 -0.15 0.00 0.00 58.65 58.45 2wk3 h GLN 203 Cb 0.02 0.16 -0.08 0.00 1.07 0.00 0.00 27.48 28.65 2wk3 h GLN 203 CO -0.04 1.20 0.34 1.25 -2.65 0.00 0.00 178.83 178.93 2wk3 h LEU 204 N 0.07 0.39 -0.84 -2.39 5.85 -0.47 0.62 115.31 118.55 2wk3 h LEU 204 Ca -0.12 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 2wk3 h LEU 204 Cb 1.95 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.98 2wk3 h LEU 204 CO 0.20 0.19 0.43 -0.08 -0.34 0.00 0.00 178.44 178.84 2wk3 h GLU 205 N 0.53 1.19 0.00 1.25 4.81 -1.30 -1.44 114.58 119.62 2wk3 h GLU 205 Ca 0.39 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.39 2wk3 h GLU 205 Cb 0.51 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2wk3 h GLU 205 CO -0.34 0.90 -0.35 0.87 -0.73 0.00 0.00 179.01 179.35 2wk3 h LYS 206 N 1.18 0.00 -0.00 1.92 1.57 -1.18 -2.40 116.57 117.66 2wk3 h LYS 206 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2wk3 h LYS 206 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2wk3 h LYS 206 CO -0.04 0.35 -0.15 0.00 -0.57 0.00 0.00 179.45 179.04 2wk3 n ALA 207 N -2.42 2.80 0.36 3.86 0.00 0.09 -3.51 120.51 121.69 2wk3 n ALA 207 Ca -0.02 -0.25 0.08 0.00 0.00 0.00 0.00 53.44 53.26 2wk3 n ALA 207 Cb 0.41 -1.33 0.11 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.15 0.32 -1.95 0.00 -2.24 -0.87 -4.89 114.28 103.50 2wk3 n THR 208 Ca 0.12 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 2wk3 n THR 208 Cb 0.30 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 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 0.89 1.33 3.57 3.38 0.00 -1.21 -4.94 105.19 108.21 2wk3 n GLY 209 Ca 0.11 -1.98 -0.45 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.09 3.02 0.24 1.61 2.85 0.16 -4.81 115.26 117.23 2wk3 n ASN 210 Ca 0.00 0.30 0.13 0.00 -0.11 0.00 0.00 54.58 54.90 2wk3 n ASN 210 Cb 0.00 -1.48 0.71 0.00 1.24 0.00 0.00 39.78 40.25 2wk3 n ASN 210 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2wk3 h PRO 211 N 14.11 0.00 -0.02 1.20 0.11 -1.90 0.67 132.00 146.18 2wk3 h PRO 211 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2wk3 h PRO 211 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2wk3 h PRO 211 CO 0.97 0.00 -0.19 0.36 -0.21 0.00 0.00 178.00 178.94 2wk3 n LYS 212 N -2.52 1.62 -2.33 1.05 2.85 -1.26 -4.84 118.16 112.73 2wk3 n LYS 212 Ca -0.02 -1.28 -0.41 0.00 -1.05 0.00 0.00 58.31 55.55 2wk3 n LYS 212 Cb 0.21 -1.36 -0.03 0.00 -0.65 0.00 0.00 35.03 33.19 2wk3 n LYS 212 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2wk3 s HIS 213 N -1.85 3.38 0.54 5.58 2.46 0.23 -4.94 115.29 120.68 2wk3 s HIS 213 Ca 0.19 1.51 0.23 0.00 0.47 0.00 0.00 55.06 57.46 2wk3 s HIS 213 Cb 0.16 -3.45 1.42 0.00 -0.13 0.00 0.00 32.58 30.57 2wk3 s HIS 213 CO 0.35 -1.18 2.08 -1.35 -2.47 0.00 0.00 174.74 172.17 2wk3 h PRO 214 N 4.25 0.00 -1.34 2.88 0.11 -1.89 0.53 132.00 136.54 2wk3 h PRO 214 Ca -0.46 0.00 0.39 0.00 0.11 0.00 0.00 66.00 66.04 2wk3 h PRO 214 Cb 1.22 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 2wk3 h PRO 214 CO 0.70 0.00 1.12 0.35 -0.21 0.00 0.00 178.00 179.96 2wk3 h PHE 215 N 0.00 0.00 -0.00 0.65 3.04 -1.90 0.66 116.94 119.38 2wk3 h PHE 215 Ca 0.12 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.07 2wk3 h PHE 215 Cb 0.51 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.02 2wk3 h PHE 215 CO 0.00 0.00 -0.06 -1.13 -2.02 0.00 0.00 178.31 175.10 2wk3 n SER 216 N -3.77 0.21 -4.77 0.41 3.41 0.18 -4.75 113.62 104.53 2wk3 n SER 216 Ca 0.30 -0.29 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 2wk3 n SER 216 Cb 1.54 -0.19 0.05 0.00 -0.26 0.00 0.00 64.21 65.36 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 -2.57 2.72 -0.43 4.33 1.02 0.22 -4.70 119.74 120.33 2wk3 s LYS 217 Ca 0.27 1.30 -0.17 0.00 0.02 0.00 0.00 55.97 57.39 2wk3 s LYS 217 Cb 0.20 -1.95 0.03 0.00 -0.52 0.00 0.00 37.83 35.59 2wk3 s LYS 217 CO 0.48 -1.30 0.44 0.12 -0.92 0.00 0.00 175.35 174.17 2wk3 s PHE 218 N -2.52 3.17 0.03 3.18 5.36 -1.26 -4.96 117.98 120.98 2wk3 s PHE 218 Ca 0.65 -0.46 0.10 0.00 -0.96 0.00 0.00 56.93 56.26 2wk3 s PHE 218 Cb -0.19 -2.96 -0.19 0.00 -0.34 0.00 0.00 43.02 39.34 2wk3 s PHE 218 CO 0.45 -0.73 1.05 0.78 -1.46 0.00 0.00 175.22 175.31 2wk3 h GLY 219 N 9.06 0.00 0.57 13.12 0.00 -1.94 -3.21 103.07 120.67 2wk3 h GLY 219 Ca -0.27 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 2wk3 h GLY 219 CO 0.81 0.00 -0.05 -0.84 0.00 0.00 0.00 176.54 176.46 2wk3 h THR 220 N 0.00 1.39 0.00 4.70 2.02 -1.92 -3.36 112.91 115.74 2wk3 h THR 220 Ca -0.11 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 65.81 2wk3 h THR 220 Cb 1.81 2.13 0.00 0.00 -1.74 0.00 0.00 68.15 70.36 2wk3 h THR 220 CO 0.10 0.34 0.00 0.61 0.37 0.00 0.00 175.52 176.94 2wk3 n GLY 221 N 0.28 -0.38 0.71 2.16 0.00 -1.26 -4.60 105.19 102.11 2wk3 n GLY 221 Ca -0.08 -1.67 -0.02 0.00 0.00 0.00 0.00 46.02 44.25 2wk3 n GLY 221 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wk3 n ASN 222 N -1.12 -0.36 -0.20 1.61 0.23 -1.26 -4.63 115.26 109.52 2wk3 n ASN 222 Ca 0.00 -1.35 -0.06 0.00 -0.53 0.00 0.00 54.58 52.64 2wk3 n ASN 222 Cb 0.00 0.63 0.03 0.00 -2.08 0.00 0.00 39.78 38.36 2wk3 n ASN 222 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2wk3 h LYS 223 N 0.00 0.79 -0.39 -3.83 1.63 -1.89 -0.05 116.57 112.83 2wk3 h LYS 223 Ca -0.06 -0.07 0.02 0.00 -0.85 0.00 0.00 60.65 59.69 2wk3 h LYS 223 Cb 0.24 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.68 2wk3 h LYS 223 CO 0.08 0.56 0.22 -0.92 -3.45 0.00 0.00 179.45 175.94 2wk3 h TYR 224 N 0.79 0.41 0.00 1.91 3.20 -1.96 0.32 116.97 121.64 2wk3 h TYR 224 Ca 0.21 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.09 2wk3 h TYR 224 Cb -0.04 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.10 2wk3 h TYR 224 CO -0.02 0.24 -0.29 0.25 -1.64 0.00 0.00 178.16 176.70 2wk3 n THR 225 N -4.88 0.44 0.05 1.81 -2.24 -0.91 -0.70 114.28 107.85 2wk3 n THR 225 Ca 0.01 -0.26 0.01 0.00 -2.27 0.00 0.00 64.05 61.55 2wk3 n THR 225 Cb 0.07 -0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 67.92 2wk3 n THR 225 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2wk3 n LEU 226 N -2.13 0.05 0.11 3.22 4.32 -0.08 -4.51 117.00 117.98 2wk3 n LEU 226 Ca 0.05 -0.19 0.00 0.00 -0.02 0.00 0.00 56.01 55.84 2wk3 n LEU 226 Cb 0.43 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 2wk3 n LEU 226 CO 0.33 0.01 -0.00 1.21 -1.22 0.00 0.00 177.39 177.72 2wk3 n GLU 227 N -1.39 0.00 0.02 3.23 2.13 0.11 -4.76 120.64 119.97 2wk3 n GLU 227 Ca -0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 2wk3 n GLU 227 Cb 0.06 -0.18 -0.08 0.00 0.27 0.00 0.00 31.44 31.52 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 0.00 -0.43 6.31 2.02 -1.47 -0.66 112.91 118.68 2wk3 h THR 228 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2wk3 h THR 228 Cb 0.00 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 2wk3 h THR 228 CO 0.00 0.00 0.20 -0.09 0.37 0.00 0.00 175.52 176.00 2wk3 h ARG 229 N -0.52 0.62 0.00 6.66 9.65 -1.17 -0.30 114.38 129.32 2wk3 h ARG 229 Ca 0.02 -0.09 -0.02 0.00 -1.10 0.00 0.00 59.98 58.79 2wk3 h ARG 229 Cb 0.58 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.05 2wk3 h ARG 229 CO -0.33 0.54 -0.10 -1.35 2.80 0.00 0.00 179.97 181.53 2wk3 h PRO 230 N 0.55 0.00 -0.04 0.20 0.11 -1.71 -0.56 132.00 130.54 2wk3 h PRO 230 Ca 0.15 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.08 2wk3 h PRO 230 Cb 0.12 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.24 2wk3 h PRO 230 CO -0.02 0.10 -0.65 -0.91 -0.21 0.00 0.00 178.00 176.32 2wk3 h ASN 231 N 0.00 0.64 -0.65 -2.05 -0.26 -0.03 0.15 115.58 113.38 2wk3 h ASN 231 Ca -0.00 -0.71 0.17 0.00 -0.56 0.00 0.00 56.30 55.20 2wk3 h ASN 231 Cb 0.21 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.24 2wk3 h ASN 231 CO 0.01 1.26 0.46 1.56 -1.06 0.00 0.00 177.43 179.66 2wk3 h GLN 232 N 0.08 0.09 -0.48 0.81 4.20 -0.26 -2.48 115.11 117.07 2wk3 h GLN 232 Ca -0.07 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 2wk3 h GLN 232 Cb 1.32 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 29.03 2wk3 h GLN 232 CO 0.13 0.06 0.08 0.39 -0.67 0.00 0.00 178.83 178.82 2wk3 n GLU 233 N -4.38 3.44 -0.99 1.46 1.02 -0.30 -4.91 120.64 115.98 2wk3 n GLU 233 Ca 0.13 -3.03 -0.06 0.00 -0.02 0.00 0.00 57.16 54.18 2wk3 n GLU 233 Cb 0.66 -2.04 -0.02 0.00 -0.02 0.00 0.00 31.44 30.01 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 -0.25 0.54 3.75 0.62 0.00 -0.93 -4.96 105.19 103.96 2wk3 n GLY 234 Ca 0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.31 3.07 -0.54 -0.61 1.01 0.47 -5.00 121.20 118.29 2wk3 s ILE 235 Ca 0.00 0.96 -0.17 0.00 0.00 0.00 0.00 60.65 61.44 2wk3 s ILE 235 Cb 0.00 -3.61 0.10 0.00 0.01 0.00 0.00 42.46 38.96 2wk3 s ILE 235 CO 0.00 0.18 0.58 -0.62 0.00 0.00 0.00 174.94 175.08 2wk3 s ASP 236 N -0.08 6.19 0.19 3.58 -1.08 -1.26 -4.51 116.67 119.69 2wk3 s ASP 236 Ca 0.53 -1.46 -0.09 0.00 -0.52 0.00 0.00 52.55 51.01 2wk3 s ASP 236 Cb -0.37 -2.25 0.08 0.00 -1.46 0.00 0.00 42.92 38.92 2wk3 s ASP 236 CO 0.43 -0.93 1.66 0.58 0.52 0.00 0.00 175.17 177.43 2wk3 h VAL 237 N 5.88 1.27 -0.56 1.11 2.07 -1.94 -0.31 116.25 123.77 2wk3 h VAL 237 Ca -0.29 -1.13 0.09 0.00 0.82 0.00 0.00 66.70 66.19 2wk3 h VAL 237 Cb 1.10 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 31.54 2wk3 h VAL 237 CO 1.03 0.41 0.19 -0.09 0.02 0.00 0.00 177.57 179.13 2wk3 h ARG 238 N 1.01 0.34 -0.24 1.57 2.43 -1.93 0.16 114.38 117.71 2wk3 h ARG 238 Ca 0.18 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.39 2wk3 h ARG 238 Cb 0.53 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.95 2wk3 h ARG 238 CO 0.03 0.23 -0.11 0.37 -1.51 0.00 0.00 179.97 178.97 2wk3 h GLN 239 N 0.35 -0.07 -0.79 0.20 5.75 -1.74 -1.57 115.11 117.24 2wk3 h GLN 239 Ca 0.28 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.86 2wk3 h GLN 239 Cb 0.35 0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.85 2wk3 h GLN 239 CO -0.30 -0.05 0.46 0.93 -2.65 0.00 0.00 178.83 177.22 2wk3 h GLU 240 N -0.07 0.78 -0.23 1.69 4.39 0.06 0.47 114.58 121.67 2wk3 h GLU 240 Ca 0.13 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 2wk3 h GLU 240 Cb 0.27 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2wk3 h GLU 240 CO -0.29 0.52 0.14 -0.07 -1.16 0.00 0.00 179.01 178.15 2wk3 h LEU 241 N 0.81 0.28 -0.89 1.33 3.38 -0.55 0.60 115.31 120.27 2wk3 h LEU 241 Ca 0.36 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.30 2wk3 h LEU 241 Cb 0.26 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2wk3 h LEU 241 CO -0.21 0.24 0.59 -0.07 0.09 0.00 0.00 178.44 179.08 2wk3 h LEU 242 N 0.29 1.02 -0.47 1.67 3.38 -0.45 -0.26 115.31 120.49 2wk3 h LEU 242 Ca 0.08 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2wk3 h LEU 242 Cb 0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2wk3 h LEU 242 CO -0.02 0.74 0.11 0.11 0.09 0.00 0.00 178.44 179.47 2wk3 h LYS 243 N 1.20 0.76 -0.32 1.13 1.79 0.22 -1.09 116.57 120.26 2wk3 h LYS 243 Ca 0.33 -0.19 -0.17 0.00 -2.18 0.00 0.00 60.65 58.43 2wk3 h LYS 243 Cb -0.14 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.42 2wk3 h LYS 243 CO -0.07 0.75 -0.48 0.35 -1.08 0.00 0.00 179.45 178.92 2wk3 h PHE 244 N 0.64 1.10 0.09 -1.35 3.57 -0.66 0.13 116.94 120.45 2wk3 h PHE 244 Ca 0.15 -0.37 0.02 0.00 3.53 0.00 0.00 57.97 61.29 2wk3 h PHE 244 Cb 0.34 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 2wk3 h PHE 244 CO 0.02 1.20 -0.21 1.25 -2.23 0.00 0.00 178.31 178.34 2wk3 h HIS 245 N 0.69 -0.55 -0.90 0.41 2.76 -1.01 -0.46 115.15 116.09 2wk3 h HIS 245 Ca 0.03 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 2wk3 h HIS 245 Cb 1.09 0.23 -0.04 0.00 1.55 0.00 0.00 27.41 30.23 2wk3 h HIS 245 CO 0.07 -0.30 0.53 1.03 -1.30 0.00 0.00 177.93 177.97 2wk3 h SER 246 N -0.38 1.10 0.01 3.26 0.87 -0.95 0.30 113.55 117.76 2wk3 h SER 246 Ca 0.03 -0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.46 2wk3 h SER 246 Cb 0.41 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2wk3 h SER 246 CO -0.13 0.85 -0.25 0.00 -0.53 0.00 0.00 176.83 176.76 2wk3 h ALA 247 N 1.34 0.01 0.00 6.23 0.00 -0.54 -3.40 119.26 122.90 2wk3 h ALA 247 Ca 0.32 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2wk3 h ALA 247 Cb -0.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2wk3 h ALA 247 CO -0.06 0.09 -1.87 0.66 0.00 0.00 0.00 179.25 178.07 2wk3 n TYR 248 N -4.50 0.00 -2.60 0.00 4.02 -0.20 -4.61 117.16 109.27 2wk3 n TYR 248 Ca -0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.36 2wk3 n TYR 248 Cb 0.52 -0.44 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 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 -2.17 4.06 -4.61 -0.72 0.53 0.10 -4.89 117.16 109.47 2wk3 n TYR 249 Ca -0.03 -3.07 -0.34 0.00 -1.02 0.00 0.00 57.90 53.44 2wk3 n TYR 249 Cb 0.52 -2.16 -0.11 0.00 -1.03 0.00 0.00 39.34 36.57 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 2.19 4.68 0.43 7.72 0.15 -1.26 -4.85 113.70 122.76 2wk3 s SER 250 Ca 0.43 -0.02 0.24 0.00 0.70 0.00 0.00 55.95 57.30 2wk3 s SER 250 Cb 0.04 -1.20 1.24 0.00 -1.71 0.00 0.00 66.02 64.38 2wk3 s SER 250 CO 0.00 0.36 1.75 0.77 1.20 0.00 0.00 173.24 177.32 2wk3 h SER 251 N 5.30 0.33 0.77 5.45 4.64 -1.55 -1.37 113.55 127.11 2wk3 h SER 251 Ca -0.48 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2wk3 h SER 251 Cb 1.17 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2wk3 h SER 251 CO 0.53 0.02 0.00 -0.55 -0.87 0.00 0.00 176.83 175.96 2wk3 h ASN 252 N 0.27 0.00 -0.49 4.97 -1.07 -1.81 -1.67 115.58 115.78 2wk3 h ASN 252 Ca 0.63 0.00 0.00 0.00 0.07 0.00 0.00 56.30 57.00 2wk3 h ASN 252 Cb 1.85 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 38.10 2wk3 h ASN 252 CO -0.27 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.41 2wk3 n LEU 253 N -2.38 5.08 -4.48 6.14 4.77 -0.52 -4.90 117.00 120.73 2wk3 n LEU 253 Ca 0.02 -2.90 -0.33 0.00 -0.03 0.00 0.00 56.01 52.77 2wk3 n LEU 253 Cb 0.24 -0.63 -0.13 0.00 -2.33 0.00 0.00 43.42 40.57 2wk3 n LEU 253 CO 0.21 0.66 -0.45 -0.04 -1.33 0.00 0.00 177.39 176.44 2wk3 s MET 254 N -2.67 2.50 -0.02 3.23 -1.94 -0.63 -0.27 119.30 119.50 2wk3 s MET 254 Ca 0.50 -0.70 0.05 0.00 -1.71 0.00 0.00 55.69 53.84 2wk3 s MET 254 Cb 0.38 -2.37 -0.01 0.00 2.01 0.00 0.00 34.83 34.84 2wk3 s MET 254 CO 0.15 0.62 -0.18 0.00 -0.01 0.00 0.00 175.02 175.60 2wk3 s ALA 255 N -0.73 1.49 0.03 3.03 0.00 -0.34 -1.92 121.76 123.31 2wk3 s ALA 255 Ca 0.11 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.38 2wk3 s ALA 255 Cb -0.11 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 2wk3 s ALA 255 CO 0.00 0.36 -0.18 0.08 0.00 0.00 0.00 175.76 176.02 2wk3 s VAL 256 N -0.38 1.47 -0.03 0.00 1.01 -0.02 -0.60 120.40 121.86 2wk3 s VAL 256 Ca 0.06 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.99 2wk3 s VAL 256 Cb -0.07 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 35.05 2wk3 s VAL 256 CO -0.00 0.20 -0.01 -0.69 0.00 0.00 0.00 175.10 174.59 2wk3 s VAL 257 N -0.73 0.26 -0.06 2.92 1.01 -0.41 -0.73 120.40 122.66 2wk3 s VAL 257 Ca 0.06 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.09 2wk3 s VAL 257 Cb -0.08 -0.33 0.01 0.00 0.00 0.00 0.00 36.38 35.98 2wk3 s VAL 257 CO 0.01 0.16 -0.12 -0.69 0.00 0.00 0.00 175.10 174.45 2wk3 s VAL 258 N 0.93 1.13 -0.08 2.92 1.01 -0.71 -0.91 120.40 124.69 2wk3 s VAL 258 Ca -0.10 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.43 2wk3 s VAL 258 Cb -0.13 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 2wk3 s VAL 258 CO -0.01 0.35 -0.24 -0.22 0.00 0.00 0.00 175.10 174.98 2wk3 s LEU 259 N 0.57 2.13 0.21 3.92 0.20 0.90 -0.67 118.68 125.93 2wk3 s LEU 259 Ca -0.13 -0.52 -0.22 0.00 0.69 0.00 0.00 54.13 53.96 2wk3 s LEU 259 Cb -0.15 -1.41 0.07 0.00 -0.43 0.00 0.00 46.19 44.28 2wk3 s LEU 259 CO 0.03 0.20 0.99 -0.83 -0.29 0.00 0.00 176.35 176.45 2wk3 s GLY 260 N 0.10 0.10 0.26 7.98 0.00 -0.54 -1.30 107.32 113.91 2wk3 s GLY 260 Ca -0.11 -0.32 0.16 0.00 0.00 0.00 0.00 44.72 44.44 2wk3 s GLY 260 CO 0.06 1.66 1.36 3.21 0.00 0.00 0.00 173.10 179.40 2wk3 h ARG 261 N 2.00 0.00 -6.82 2.90 3.08 -1.88 0.24 114.38 113.91 2wk3 h ARG 261 Ca -0.28 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.23 2wk3 h ARG 261 Cb 1.22 0.00 0.20 0.00 0.08 0.00 0.00 29.97 31.47 2wk3 h ARG 261 CO 0.35 0.43 -0.30 0.39 -1.07 0.00 0.00 179.97 179.77 2wk3 n GLU 262 N -3.16 0.09 -0.93 0.04 4.71 -1.26 -4.28 120.64 115.85 2wk3 n GLU 262 Ca 0.01 0.08 -0.29 0.00 -0.01 0.00 0.00 57.16 56.94 2wk3 n GLU 262 Cb 0.73 -1.97 0.18 0.00 -1.01 0.00 0.00 31.44 29.37 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 -1.79 2.58 0.24 1.62 1.04 -1.26 -4.60 113.70 111.53 2wk3 s SER 263 Ca 0.64 1.58 -0.07 0.00 0.48 0.00 0.00 55.95 58.58 2wk3 s SER 263 Cb -0.29 -2.24 0.23 0.00 0.10 0.00 0.00 66.02 63.82 2wk3 s SER 263 CO 0.59 -3.22 1.91 -0.07 0.98 0.00 0.00 173.24 173.44 2wk3 h LEU 264 N -1.95 1.06 -0.30 2.42 3.38 -1.95 0.34 115.31 118.32 2wk3 h LEU 264 Ca -0.52 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.42 2wk3 h LEU 264 Cb 1.30 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 2wk3 h LEU 264 CO 0.52 0.77 0.17 0.44 0.09 0.00 0.00 178.44 180.43 2wk3 h ASP 265 N 1.26 0.36 -0.65 -0.43 3.32 -1.99 0.30 116.42 118.59 2wk3 h ASP 265 Ca 0.34 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 2wk3 h ASP 265 Cb -0.14 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 2wk3 h ASP 265 CO -0.08 0.32 0.30 0.44 -1.72 0.00 0.00 179.24 178.50 2wk3 h ASP 266 N 0.37 0.86 -0.48 6.45 3.32 -1.81 -0.31 116.42 124.82 2wk3 h ASP 266 Ca 0.11 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 2wk3 h ASP 266 Cb 0.02 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 2wk3 h ASP 266 CO -0.02 0.76 0.17 -0.07 -1.72 0.00 0.00 179.24 178.37 2wk3 h LEU 267 N 0.90 0.69 -0.46 1.55 3.38 -0.77 -2.41 115.31 118.18 2wk3 h LEU 267 Ca 0.22 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.07 2wk3 h LEU 267 Cb 0.14 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 2wk3 h LEU 267 CO -0.03 0.69 0.12 0.74 0.09 0.00 0.00 178.44 180.06 2wk3 h THR 268 N 0.64 0.79 -0.65 0.22 2.02 0.23 -1.61 112.91 114.56 2wk3 h THR 268 Ca 0.16 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.18 2wk3 h THR 268 Cb 0.24 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 2wk3 h THR 268 CO -0.01 0.05 0.12 0.78 0.37 0.00 0.00 175.52 176.83 2wk3 h ASN 269 N 0.27 0.99 0.07 4.18 2.35 -0.73 -1.27 115.58 121.44 2wk3 h ASN 269 Ca 0.22 -0.22 0.02 0.00 -0.55 0.00 0.00 56.30 55.78 2wk3 h ASN 269 Cb 0.27 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2wk3 h ASN 269 CO -0.27 0.98 -0.23 0.25 -1.65 0.00 0.00 177.43 176.51 2wk3 h LEU 270 N 0.99 -0.65 -0.66 1.61 6.46 -1.19 0.06 115.31 121.92 2wk3 h LEU 270 Ca 0.20 0.08 -0.06 0.00 -0.12 0.00 0.00 57.88 57.98 2wk3 h LEU 270 Cb 0.40 0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.56 2wk3 h LEU 270 CO 0.01 -0.31 0.17 0.58 -0.62 0.00 0.00 178.44 178.27 2wk3 h VAL 271 N -0.40 1.26 -0.74 1.05 2.07 -1.05 0.87 116.25 119.31 2wk3 h VAL 271 Ca 0.04 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 2wk3 h VAL 271 Cb 0.44 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2wk3 h VAL 271 CO -0.16 0.36 0.46 0.58 0.02 0.00 0.00 177.57 178.83 2wk3 h VAL 272 N 0.98 1.20 -0.24 2.57 2.07 -1.10 0.15 116.25 121.89 2wk3 h VAL 272 Ca 0.21 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 2wk3 h VAL 272 Cb 0.36 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2wk3 h VAL 272 CO 0.00 0.21 -0.07 0.50 0.02 0.00 0.00 177.57 178.22 2wk3 h LYS 273 N 1.01 0.47 0.00 1.57 3.64 -0.40 -2.47 116.57 120.39 2wk3 h LYS 273 Ca 0.27 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2wk3 h LYS 273 Cb -0.06 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2wk3 h LYS 273 CO -0.05 0.71 -0.75 -0.07 -2.27 0.00 0.00 179.45 177.02 2wk3 h LEU 274 N 0.20 0.00 0.00 5.20 3.38 -0.53 -3.40 115.31 120.16 2wk3 h LEU 274 Ca 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2wk3 h LEU 274 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2wk3 h LEU 274 CO 0.03 0.01 -0.62 0.49 0.09 0.00 0.00 178.44 178.43 2wk3 n PHE 275 N -2.72 0.00 0.67 1.13 3.01 0.49 -4.57 117.46 115.47 2wk3 n PHE 275 Ca 0.01 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.55 2wk3 n PHE 275 Cb 0.54 -0.03 0.38 0.00 -0.01 0.00 0.00 39.48 40.36 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 -1.33 0.00 -0.16 4.37 3.41 -0.93 -2.22 113.62 116.76 2wk3 n SER 276 Ca -0.00 0.25 0.15 0.00 -0.26 0.00 0.00 58.87 59.00 2wk3 n SER 276 Cb 0.05 -0.38 0.72 0.00 -0.26 0.00 0.00 64.21 64.34 2wk3 n SER 276 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2wk3 n GLU 277 N -1.38 1.04 -2.15 4.33 0.28 -1.26 -4.81 120.64 116.69 2wk3 n GLU 277 Ca 0.06 -0.32 -0.42 0.00 -0.16 0.00 0.00 57.16 56.32 2wk3 n GLU 277 Cb 0.15 -1.49 -0.03 0.00 1.43 0.00 0.00 31.44 31.50 2wk3 n GLU 277 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2wk3 s VAL 278 N -2.19 3.23 0.23 3.84 1.01 -0.94 -4.95 120.40 120.63 2wk3 s VAL 278 Ca 0.38 0.89 -0.30 0.00 0.00 0.00 0.00 61.98 62.95 2wk3 s VAL 278 Cb 0.21 -3.57 -0.09 0.00 0.00 0.00 0.00 36.38 32.93 2wk3 s VAL 278 CO 0.40 0.07 0.97 -0.70 0.00 0.00 0.00 175.10 175.84 2wk3 s GLU 279 N 1.06 4.80 -0.43 2.72 2.12 -1.26 -4.63 118.70 123.07 2wk3 s GLU 279 Ca 0.65 1.54 -0.23 0.00 0.36 0.00 0.00 54.97 57.29 2wk3 s GLU 279 Cb -0.38 -3.28 0.02 0.00 0.26 0.00 0.00 34.13 30.76 2wk3 s GLU 279 CO 0.31 0.42 0.76 1.21 -0.54 0.00 0.00 175.26 177.41 2wk3 s ASN 280 N -0.95 6.41 0.00 -1.70 3.84 -1.26 -1.57 114.94 119.71 2wk3 s ASN 280 Ca 0.43 -0.08 0.22 0.00 0.21 0.00 0.00 52.86 53.64 2wk3 s ASN 280 Cb -0.27 -2.37 0.63 0.00 -0.55 0.00 0.00 41.25 38.69 2wk3 s ASN 280 CO 0.33 -0.86 1.52 0.29 -2.79 0.00 0.00 177.10 175.60 2wk3 n LYS 281 N 6.59 2.73 -4.02 0.43 4.01 -1.26 -4.96 118.16 121.69 2wk3 n LYS 281 Ca 0.02 -2.63 -0.29 0.00 -0.51 0.00 0.00 58.31 54.90 2wk3 n LYS 281 Cb 0.48 -1.55 -0.03 0.00 -0.51 0.00 0.00 35.03 33.42 2wk3 n LYS 281 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2wk3 n ASN 282 N 1.60 -0.78 -4.74 4.39 3.02 -1.26 -4.91 115.26 112.58 2wk3 n ASN 282 Ca 0.24 -1.09 -0.40 0.00 -0.03 0.00 0.00 54.58 53.29 2wk3 n ASN 282 Cb 0.61 -2.66 -0.05 0.00 -0.61 0.00 0.00 39.78 37.07 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 -3.98 4.35 0.22 2.41 1.01 -1.26 -4.99 120.40 118.16 2wk3 s VAL 283 Ca 0.08 1.98 -0.30 0.00 0.00 0.00 0.00 61.98 63.75 2wk3 s VAL 283 Cb -0.04 -4.28 -0.08 0.00 0.00 0.00 0.00 36.38 31.98 2wk3 s VAL 283 CO 0.92 0.42 1.06 -2.84 0.00 0.00 0.00 175.10 174.65 2wk3 s PRO 284 N -0.59 4.67 0.12 2.72 0.02 -1.26 -4.88 135.00 135.80 2wk3 s PRO 284 Ca 0.42 1.69 -0.31 0.00 0.02 0.00 0.00 61.00 62.82 2wk3 s PRO 284 Cb -0.24 -3.25 -0.10 0.00 0.02 0.00 0.00 34.50 30.93 2wk3 s PRO 284 CO 0.29 0.22 1.76 -1.17 -0.33 0.00 0.00 177.00 177.78 2wk3 s LEU 285 N -0.89 4.39 0.86 -5.54 0.20 -1.26 -4.96 118.68 111.48 2wk3 s LEU 285 Ca 0.46 2.69 -0.12 0.00 0.69 0.00 0.00 54.13 57.85 2wk3 s LEU 285 Cb -0.29 -3.57 0.12 0.00 -0.43 0.00 0.00 46.19 42.01 2wk3 s LEU 285 CO 0.36 -0.96 1.17 -2.84 -0.29 0.00 0.00 176.35 173.79 2wk3 s PRO 286 N 2.51 1.31 -0.24 0.98 0.02 -1.26 -5.02 135.00 133.30 2wk3 s PRO 286 Ca 0.78 1.64 -0.20 0.00 0.02 0.00 0.00 61.00 63.25 2wk3 s PRO 286 Cb -0.45 -1.75 0.06 0.00 0.02 0.00 0.00 34.50 32.39 2wk3 s PRO 286 CO 0.35 -2.43 0.63 -2.00 -0.33 0.00 0.00 177.00 173.21 2wk3 s GLU 287 N -4.42 0.70 -0.47 5.54 2.12 -1.26 -4.90 118.70 116.02 2wk3 s GLU 287 Ca 0.70 0.94 0.08 0.00 0.36 0.00 0.00 54.97 57.05 2wk3 s GLU 287 Cb -0.25 0.28 0.30 0.00 0.26 0.00 0.00 34.13 34.72 2wk3 s GLU 287 CO 0.54 -0.11 0.71 1.19 -0.54 0.00 0.00 175.26 177.06 2wk3 n PHE 288 N 3.18 1.45 0.27 5.30 3.72 0.40 -4.95 117.46 126.83 2wk3 n PHE 288 Ca -0.16 -3.84 0.12 0.00 -0.05 0.00 0.00 57.45 53.52 2wk3 n PHE 288 Cb 0.56 -0.44 0.77 0.00 -0.94 0.00 0.00 39.48 39.44 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 3.52 0.00 -5.94 -1.08 0.13 -1.81 -3.35 132.00 123.47 2wk3 h PRO 289 Ca 0.12 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.67 2wk3 h PRO 289 Cb 0.79 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.85 2wk3 h PRO 289 CO 0.62 0.05 0.32 -2.00 -0.23 0.00 0.00 178.00 176.75 2wk3 s GLU 290 N -4.62 4.32 0.25 0.86 2.12 -1.26 -4.82 118.70 115.54 2wk3 s GLU 290 Ca -0.04 0.97 -0.31 0.00 0.36 0.00 0.00 54.97 55.95 2wk3 s GLU 290 Cb 0.15 -3.55 -0.11 0.00 0.26 0.00 0.00 34.13 30.87 2wk3 s GLU 290 CO 0.60 -0.26 1.62 -1.58 -0.54 0.00 0.00 175.26 175.11 2wk3 s HIS 291 N 1.90 2.84 -0.75 5.30 5.65 -1.26 -4.87 115.29 124.10 2wk3 s HIS 291 Ca 0.38 0.64 0.09 0.00 0.25 0.00 0.00 55.06 56.41 2wk3 s HIS 291 Cb -0.17 -4.07 0.45 0.00 -1.18 0.00 0.00 32.58 27.61 2wk3 s HIS 291 CO 0.13 -3.76 1.28 -0.35 -0.65 0.00 0.00 174.74 171.39 2wk3 n PRO 292 N 2.92 0.05 -3.81 2.88 -0.04 -1.26 -4.21 135.00 131.53 2wk3 n PRO 292 Ca 0.11 0.50 -0.36 0.00 -0.04 0.00 0.00 63.50 63.71 2wk3 n PRO 292 Cb 0.37 -1.65 -0.12 0.00 -0.04 0.00 0.00 33.50 32.06 2wk3 n PRO 292 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2wk3 s PHE 293 N -3.17 3.47 0.07 0.54 0.08 -1.26 0.36 117.98 118.07 2wk3 s PHE 293 Ca 0.00 -2.17 0.01 0.00 0.12 0.00 0.00 56.93 54.89 2wk3 s PHE 293 Cb 0.03 -2.82 0.01 0.00 -0.57 0.00 0.00 43.02 39.68 2wk3 s PHE 293 CO 0.11 -0.90 0.09 1.04 -0.10 0.00 0.00 175.22 175.46 2wk3 n GLN 294 N 4.62 0.81 -0.23 0.44 1.13 -1.26 -4.88 117.38 118.02 2wk3 n GLN 294 Ca -0.06 -0.32 0.05 0.00 -1.94 0.00 0.00 57.00 54.73 2wk3 n GLN 294 Cb 0.42 -0.04 0.31 0.00 0.11 0.00 0.00 30.24 31.04 2wk3 n GLN 294 CO 0.00 0.00 0.00 1.05 -1.44 0.00 0.00 177.06 176.67 2wk3 h GLU 295 N 0.00 0.83 0.00 -1.09 9.09 -1.98 0.49 114.58 121.93 2wk3 h GLU 295 Ca -0.03 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.33 2wk3 h GLU 295 Cb 0.13 -0.19 0.00 0.00 -1.65 0.00 0.00 28.75 27.05 2wk3 h GLU 295 CO 0.04 0.55 0.00 -0.85 0.05 0.00 0.00 179.01 178.80 2wk3 n GLU 296 N -4.48 0.03 0.00 1.06 0.00 -1.26 -1.78 120.64 114.21 2wk3 n GLU 296 Ca 0.12 0.23 0.08 0.00 0.00 0.00 0.00 57.16 57.59 2wk3 n GLU 296 Cb 0.21 -1.50 0.04 0.00 0.00 0.00 0.00 31.44 30.19 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 -1.48 0.00 -2.97 -1.84 8.25 0.17 -4.94 115.22 112.41 2wk3 n HIS 297 Ca 0.04 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.31 2wk3 n HIS 297 Cb 0.17 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.29 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 -1.70 3.60 -1.55 2.41 1.43 -0.73 -4.38 118.68 117.75 2wk3 s LEU 298 Ca 0.18 -0.24 -0.05 0.00 -1.03 0.00 0.00 54.13 52.99 2wk3 s LEU 298 Cb 0.14 -2.76 0.04 0.00 0.03 0.00 0.00 46.19 43.65 2wk3 s LEU 298 CO 0.30 -0.81 0.30 0.29 0.23 0.00 0.00 176.35 176.66 2wk3 n LYS 299 N -1.96 -2.02 -4.39 1.70 5.02 -0.26 -4.96 118.16 111.29 2wk3 n LYS 299 Ca 0.07 0.24 -0.26 0.00 -2.02 0.00 0.00 58.31 56.34 2wk3 n LYS 299 Cb 0.59 -4.21 -0.10 0.00 -0.02 0.00 0.00 35.03 31.29 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 -7.03 1.76 -0.03 1.97 -1.52 -1.23 -1.69 119.66 111.90 2wk3 s GLN 300 Ca 0.17 -1.52 0.02 0.00 -1.95 0.00 0.00 55.36 52.09 2wk3 s GLN 300 Cb -0.10 -1.93 0.01 0.00 -0.22 0.00 0.00 33.01 30.77 2wk3 s GLN 300 CO 0.96 0.39 -0.09 -1.17 -0.25 0.00 0.00 175.29 175.13 2wk3 s LEU 301 N -3.02 1.69 -0.02 2.90 2.96 0.12 -1.81 118.68 121.51 2wk3 s LEU 301 Ca 0.25 -0.19 0.06 0.00 -0.22 0.00 0.00 54.13 54.03 2wk3 s LEU 301 Cb -0.07 -0.57 -0.01 0.00 0.50 0.00 0.00 46.19 46.04 2wk3 s LEU 301 CO 0.13 0.04 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.69 2wk3 s TYR 302 N 0.37 1.83 -0.14 5.38 1.51 0.39 -1.72 117.35 124.97 2wk3 s TYR 302 Ca -0.06 -0.37 0.02 0.00 -1.01 0.00 0.00 57.07 55.66 2wk3 s TYR 302 Cb -0.10 -1.18 0.01 0.00 -0.11 0.00 0.00 41.96 40.57 2wk3 s TYR 302 CO 0.01 -0.05 -0.21 0.15 -1.11 0.00 0.00 175.55 174.34 2wk3 s LYS 303 N -0.43 2.92 -0.01 -0.62 1.02 -0.49 0.29 119.74 122.42 2wk3 s LYS 303 Ca 0.07 -0.82 0.03 0.00 0.02 0.00 0.00 55.97 55.27 2wk3 s LYS 303 Cb -0.08 -2.39 -0.01 0.00 -0.52 0.00 0.00 37.83 34.83 2wk3 s LYS 303 CO -0.00 -0.05 -0.10 0.42 -0.92 0.00 0.00 175.35 174.69 2wk3 s ILE 304 N 0.92 0.82 -0.37 2.17 1.01 0.20 -0.89 121.20 125.07 2wk3 s ILE 304 Ca -0.05 -0.44 -0.15 0.00 0.00 0.00 0.00 60.65 60.01 2wk3 s ILE 304 Cb -0.15 -0.69 -0.00 0.00 0.01 0.00 0.00 42.46 41.63 2wk3 s ILE 304 CO -0.04 0.23 0.36 -0.69 0.00 0.00 0.00 174.94 174.81 2wk3 s VAL 305 N -0.21 5.17 0.75 2.92 1.01 -0.89 -1.51 120.40 127.64 2wk3 s VAL 305 Ca 0.03 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 61.74 2wk3 s VAL 305 Cb -0.04 -3.87 0.04 0.00 0.00 0.00 0.00 36.38 32.50 2wk3 s VAL 305 CO -0.00 -0.19 1.09 -2.16 0.00 0.00 0.00 175.10 173.84 2wk3 s PRO 306 N 1.97 2.46 -0.12 2.72 0.04 -1.26 -4.59 135.00 136.23 2wk3 s PRO 306 Ca 0.10 0.67 -0.21 0.00 0.04 0.00 0.00 61.00 61.61 2wk3 s PRO 306 Cb -0.17 -1.96 -0.19 0.00 0.04 0.00 0.00 34.50 32.22 2wk3 s PRO 306 CO 0.12 -1.36 0.59 0.82 0.04 0.00 0.00 177.00 177.20 2wk3 h ILE 307 N -0.90 1.29 -4.24 0.56 1.08 -1.96 -3.46 117.51 109.87 2wk3 h ILE 307 Ca -0.46 -1.92 -0.49 0.00 -0.39 0.00 0.00 64.86 61.61 2wk3 h ILE 307 Cb 1.25 2.41 0.12 0.00 -3.07 0.00 0.00 36.82 37.53 2wk3 h ILE 307 CO 0.60 0.43 0.31 -0.54 -0.69 0.00 0.00 178.15 178.26 2wk3 s LYS 308 N -2.15 1.86 -1.12 2.37 1.02 -1.26 -4.95 119.74 115.52 2wk3 s LYS 308 Ca -0.14 0.68 -0.18 0.00 0.02 0.00 0.00 55.97 56.35 2wk3 s LYS 308 Cb -0.02 -1.89 0.11 0.00 -0.52 0.00 0.00 37.83 35.51 2wk3 s LYS 308 CO 0.50 -1.78 1.44 0.34 -0.92 0.00 0.00 175.35 174.93 2wk3 s ASP 309 N -3.79 6.77 0.23 2.83 2.15 -1.26 -4.85 116.67 118.76 2wk3 s ASP 309 Ca 0.61 -2.27 0.10 0.00 0.43 0.00 0.00 52.55 51.42 2wk3 s ASP 309 Cb -0.15 -2.48 -0.05 0.00 -0.30 0.00 0.00 42.92 39.94 2wk3 s ASP 309 CO 0.55 -1.10 -0.18 0.27 -0.17 0.00 0.00 175.17 174.53 2wk3 s ILE 310 N 3.29 2.11 -0.13 4.11 -4.36 -1.26 -4.89 121.20 120.07 2wk3 s ILE 310 Ca 0.44 -2.24 -0.01 0.00 -0.26 0.00 0.00 60.65 58.58 2wk3 s ILE 310 Cb -0.01 -2.13 0.04 0.00 1.25 0.00 0.00 42.46 41.61 2wk3 s ILE 310 CO -0.03 -0.44 -0.01 -0.13 0.24 0.00 0.00 174.94 174.58 2wk3 s ARG 311 N -3.39 0.91 -0.01 0.37 0.52 -1.26 -4.04 118.95 112.05 2wk3 s ARG 311 Ca 0.24 -0.22 -0.07 0.00 -0.52 0.00 0.00 55.73 55.16 2wk3 s ARG 311 Cb -0.04 -1.60 0.01 0.00 0.52 0.00 0.00 34.95 33.84 2wk3 s ARG 311 CO 0.10 -0.42 0.15 -0.80 0.02 0.00 0.00 175.30 174.35 2wk3 s ASN 312 N 1.83 -0.03 -0.10 0.23 0.01 -0.65 -0.86 114.94 115.37 2wk3 s ASN 312 Ca 0.02 -0.07 0.04 0.00 -0.71 0.00 0.00 52.86 52.14 2wk3 s ASN 312 Cb -0.14 0.24 0.00 0.00 0.41 0.00 0.00 41.25 41.76 2wk3 s ASN 312 CO -0.07 -0.30 -0.23 -0.22 -1.51 0.00 0.00 177.10 174.78 2wk3 s LEU 313 N -1.03 2.05 -0.18 0.60 2.96 -0.62 0.06 118.68 122.52 2wk3 s LEU 313 Ca -0.11 -0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 53.24 2wk3 s LEU 313 Cb -0.06 -1.36 -0.00 0.00 0.50 0.00 0.00 46.19 45.26 2wk3 s LEU 313 CO 0.01 0.13 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.74 2wk3 s TYR 314 N 0.47 2.84 -0.11 5.38 2.02 0.43 -1.19 117.35 127.19 2wk3 s TYR 314 Ca -0.16 -1.08 0.04 0.00 -0.37 0.00 0.00 57.07 55.49 2wk3 s TYR 314 Cb -0.17 -1.96 0.00 0.00 -0.40 0.00 0.00 41.96 39.43 2wk3 s TYR 314 CO 0.06 -0.53 -0.23 0.08 -1.57 0.00 0.00 175.55 173.36 2wk3 s VAL 315 N 1.07 2.12 -0.03 0.71 1.01 -0.46 -0.38 120.40 124.44 2wk3 s VAL 315 Ca -0.00 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.99 2wk3 s VAL 315 Cb -0.15 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.44 2wk3 s VAL 315 CO -0.03 0.56 -0.03 -0.89 0.00 0.00 0.00 175.10 174.70 2wk3 s THR 316 N 0.39 0.43 -0.10 3.92 2.01 0.32 -0.60 115.64 122.01 2wk3 s THR 316 Ca -0.17 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 61.77 2wk3 s THR 316 Cb -0.18 -0.46 -0.01 0.00 0.01 0.00 0.00 72.50 71.87 2wk3 s THR 316 CO 0.08 0.19 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.64 2wk3 s PHE 317 N 0.78 2.64 0.13 4.92 0.40 0.15 -0.69 117.98 126.32 2wk3 s PHE 317 Ca -0.10 -0.75 -0.30 0.00 -0.60 0.00 0.00 56.93 55.18 2wk3 s PHE 317 Cb -0.13 -1.73 -0.07 0.00 0.51 0.00 0.00 43.02 41.60 2wk3 s PHE 317 CO -0.00 -0.24 1.25 -1.25 0.70 0.00 0.00 175.22 175.68 2wk3 s PRO 318 N 0.14 4.43 0.26 0.24 0.04 -1.26 -0.44 135.00 138.40 2wk3 s PRO 318 Ca -0.10 1.91 0.05 0.00 0.04 0.00 0.00 61.00 62.90 2wk3 s PRO 318 Cb -0.16 -3.27 -0.06 0.00 0.04 0.00 0.00 34.50 31.06 2wk3 s PRO 318 CO 0.06 -0.23 -0.02 0.96 0.04 0.00 0.00 177.00 177.80 2wk3 s ILE 319 N 0.54 1.32 0.92 0.56 -4.36 -0.75 -4.87 121.20 114.56 2wk3 s ILE 319 Ca 0.57 -2.07 -0.11 0.00 -0.26 0.00 0.00 60.65 58.78 2wk3 s ILE 319 Cb -0.33 -2.42 0.14 0.00 1.25 0.00 0.00 42.46 41.11 2wk3 s ILE 319 CO 0.33 -0.30 1.10 -2.84 0.24 0.00 0.00 174.94 173.47 2wk3 s PRO 320 N -3.80 1.07 -0.06 0.37 0.02 -1.26 -2.00 135.00 129.33 2wk3 s PRO 320 Ca 0.29 1.14 -0.30 0.00 0.02 0.00 0.00 61.00 62.15 2wk3 s PRO 320 Cb 0.05 -1.76 -0.03 0.00 0.02 0.00 0.00 34.50 32.77 2wk3 s PRO 320 CO 0.10 -2.46 1.27 0.34 -0.33 0.00 0.00 177.00 175.92 2wk3 s ASP 321 N -3.03 6.97 0.00 2.53 3.68 -1.26 -3.92 116.67 121.64 2wk3 s ASP 321 Ca 0.65 1.87 0.20 0.00 2.13 0.00 0.00 52.55 57.40 2wk3 s ASP 321 Cb -0.20 -2.55 0.27 0.00 -1.45 0.00 0.00 42.92 38.98 2wk3 s ASP 321 CO 0.58 -0.66 1.23 0.18 0.13 0.00 0.00 175.17 176.64 2wk3 n LEU 322 N 5.57 2.98 -0.28 -1.34 4.77 -1.26 -4.62 117.00 122.82 2wk3 n LEU 322 Ca 0.12 -1.27 0.09 0.00 -0.03 0.00 0.00 56.01 54.92 2wk3 n LEU 322 Cb 0.45 -0.12 0.24 0.00 -2.33 0.00 0.00 43.42 41.67 2wk3 n LEU 322 CO 0.56 0.59 1.00 -0.61 -1.33 0.00 0.00 177.39 177.61 2wk3 h GLN 323 N 3.93 0.36 0.00 3.23 5.75 -1.99 -0.17 115.11 126.22 2wk3 h GLN 323 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2wk3 h GLN 323 Cb 0.87 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.34 2wk3 h GLN 323 CO 0.00 0.24 0.00 0.36 -2.65 0.00 0.00 178.83 176.78 2wk3 n LYS 324 N -5.07 0.14 -1.09 1.69 2.85 -1.26 -2.53 118.16 112.88 2wk3 n LYS 324 Ca 0.18 0.19 -0.19 0.00 -1.05 0.00 0.00 58.31 57.44 2wk3 n LYS 324 Cb 0.54 -1.50 0.18 0.00 -0.65 0.00 0.00 35.03 33.60 2wk3 n LYS 324 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2wk3 n TYR 325 N -1.34 2.71 0.32 5.58 4.01 -0.08 -4.59 117.16 123.78 2wk3 n TYR 325 Ca 0.05 -1.63 0.21 0.00 -0.16 0.00 0.00 57.90 56.37 2wk3 n TYR 325 Cb 0.11 -0.85 1.05 0.00 -0.31 0.00 0.00 39.34 39.35 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 1.14 0.00 0.00 -0.72 -0.00 -1.66 0.63 116.97 116.36 2wk3 h TYR 326 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.26 2wk3 h TYR 326 Cb 2.63 0.00 0.00 0.00 0.00 0.00 0.00 36.73 39.36 2wk3 h TYR 326 CO 1.41 0.00 0.00 0.87 -0.00 0.00 0.00 178.16 180.44 2wk3 h LYS 327 N 0.00 0.00 0.00 0.10 1.57 -1.88 -3.35 116.57 113.01 2wk3 h LYS 327 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2wk3 h LYS 327 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2wk3 h LYS 327 CO 0.00 0.00 -1.23 -1.13 -0.57 0.00 0.00 179.45 176.53 2wk3 n SER 328 N -2.35 3.94 -3.55 0.86 3.41 0.03 -0.05 113.62 115.90 2wk3 n SER 328 Ca 0.05 -0.01 -0.23 0.00 -0.26 0.00 0.00 58.87 58.42 2wk3 n SER 328 Cb 0.41 0.24 0.05 0.00 -0.26 0.00 0.00 64.21 64.65 2wk3 n SER 328 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2wk3 n ASN 329 N -2.38 -4.13 -0.29 4.04 4.13 0.20 -4.88 115.26 111.95 2wk3 n ASN 329 Ca -0.06 -0.84 0.04 0.00 1.68 0.00 0.00 54.58 55.39 2wk3 n ASN 329 Cb 0.59 -4.23 0.18 0.00 -1.54 0.00 0.00 39.78 34.78 2wk3 n ASN 329 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2wk3 h PRO 330 N -1.65 0.73 -0.18 3.52 0.13 -1.93 -0.40 132.00 132.21 2wk3 h PRO 330 Ca -0.63 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.40 2wk3 h PRO 330 Cb 1.34 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2wk3 h PRO 330 CO 0.50 0.48 -0.17 0.78 -0.23 0.00 0.00 178.00 179.36 2wk3 h GLY 331 N 0.75 0.33 2.00 1.56 0.00 -1.93 -2.66 103.07 103.12 2wk3 h GLY 331 Ca 0.41 -0.22 -0.15 0.00 0.00 0.00 0.00 47.33 47.37 2wk3 h GLY 331 CO -0.27 0.21 -0.71 0.45 0.00 0.00 0.00 176.54 176.21 2wk3 h HIS 332 N 0.29 0.00 -0.43 5.60 3.86 -1.44 -2.08 115.15 120.95 2wk3 h HIS 332 Ca 0.05 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.35 2wk3 h HIS 332 Cb 0.47 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.86 2wk3 h HIS 332 CO 0.01 0.71 -0.05 -0.92 0.86 0.00 0.00 177.93 178.54 2wk3 h TYR 333 N 0.00 -0.12 0.00 2.45 3.20 -1.36 0.40 116.97 121.55 2wk3 h TYR 333 Ca -0.01 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.75 2wk3 h TYR 333 Cb 1.36 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.72 2wk3 h TYR 333 CO 0.00 -0.13 -0.68 -0.07 -1.64 0.00 0.00 178.16 175.64 2wk3 h LEU 334 N 0.06 0.00 -0.22 2.82 3.38 -1.31 -2.70 115.31 117.34 2wk3 h LEU 334 Ca 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 2wk3 h LEU 334 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2wk3 h LEU 334 CO -0.39 0.68 0.03 1.23 0.09 0.00 0.00 178.44 180.08 2wk3 h GLY 335 N 2.98 0.39 0.52 0.83 0.00 -0.73 0.29 103.07 107.36 2wk3 h GLY 335 Ca -0.01 -0.27 0.13 0.00 0.00 0.00 0.00 47.33 47.18 2wk3 h GLY 335 CO 0.09 0.25 0.60 0.84 0.00 0.00 0.00 176.54 178.31 2wk3 h HIS 336 N 0.16 0.98 0.03 5.60 -0.00 -0.08 0.17 115.15 122.00 2wk3 h HIS 336 Ca 0.07 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.46 2wk3 h HIS 336 Cb 0.33 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 27.43 2wk3 h HIS 336 CO 0.02 0.38 -0.01 -0.07 -0.00 0.00 0.00 177.93 178.25 2wk3 h LEU 337 N 0.85 -0.03 -1.51 0.26 4.07 -1.08 -2.26 115.31 115.61 2wk3 h LEU 337 Ca 0.47 -0.19 -0.05 0.00 0.08 0.00 0.00 57.88 58.19 2wk3 h LEU 337 Cb 0.58 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 2wk3 h LEU 337 CO -0.23 0.56 -0.22 0.40 -1.08 0.00 0.00 178.44 177.87 2wk3 h ILE 338 N -1.00 1.17 -0.04 1.22 2.04 -0.44 -2.25 117.51 118.21 2wk3 h ILE 338 Ca -0.00 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.05 2wk3 h ILE 338 Cb 0.22 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2wk3 h ILE 338 CO 0.01 0.23 0.00 0.61 0.00 0.00 0.00 178.15 179.00 2wk3 n GLY 339 N -0.86 -0.02 3.61 5.37 0.00 0.58 -4.69 105.19 109.17 2wk3 n GLY 339 Ca -0.02 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 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 0.12 0.38 -0.50 1.61 -0.00 -0.85 -4.82 115.22 111.16 2wk3 n HIS 340 Ca 0.19 0.36 0.00 0.00 0.46 0.00 0.00 57.72 58.73 2wk3 n HIS 340 Cb 0.33 -1.97 0.00 0.00 -0.12 0.00 0.00 29.99 28.23 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 -3.39 -0.17 -0.45 1.57 1.02 -1.26 -4.29 120.64 113.66 2wk3 n GLU 341 Ca 0.11 -0.37 -0.09 0.00 -0.02 0.00 0.00 57.16 56.79 2wk3 n GLU 341 Cb 0.52 -0.75 0.07 0.00 -0.02 0.00 0.00 31.44 31.26 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 -0.04 -1.91 3.75 0.62 0.00 -1.26 -4.33 105.19 102.02 2wk3 n GLY 342 Ca 0.00 -1.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.09 2wk3 n GLY 342 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wk3 s PRO 343 N -3.83 3.04 0.00 1.61 0.02 -1.26 -1.85 135.00 132.72 2wk3 s PRO 343 Ca 0.23 1.87 0.00 0.00 0.02 0.00 0.00 61.00 63.12 2wk3 s PRO 343 Cb -0.01 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.51 2wk3 s PRO 343 CO 0.17 -1.17 0.00 0.41 -0.33 0.00 0.00 177.00 176.08 2wk3 n GLY 344 N 0.54 3.15 3.75 0.52 0.00 -1.26 -4.63 105.19 107.27 2wk3 n GLY 344 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.58 4.38 0.14 1.61 1.04 -0.77 -2.50 113.70 117.02 2wk3 s SER 345 Ca 0.00 1.99 -0.23 0.00 0.48 0.00 0.00 55.95 58.19 2wk3 s SER 345 Cb 0.00 -2.54 -0.00 0.00 0.10 0.00 0.00 66.02 63.57 2wk3 s SER 345 CO 0.00 -2.12 1.64 0.25 0.98 0.00 0.00 173.24 173.99 2wk3 h LEU 346 N -0.84 -0.69 -0.77 2.42 5.85 -1.84 -2.44 115.31 117.01 2wk3 h LEU 346 Ca -0.45 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.42 2wk3 h LEU 346 Cb 1.25 0.31 -0.05 0.00 0.37 0.00 0.00 40.66 42.54 2wk3 h LEU 346 CO 0.50 -0.27 0.48 0.25 -0.34 0.00 0.00 178.44 179.07 2wk3 h LEU 347 N -0.27 0.79 -0.45 2.25 6.46 -1.86 -2.03 115.31 120.20 2wk3 h LEU 347 Ca 0.11 -0.00 0.09 0.00 -0.12 0.00 0.00 57.88 57.96 2wk3 h LEU 347 Cb 0.43 -0.17 -0.08 0.00 -0.73 0.00 0.00 40.66 40.10 2wk3 h LEU 347 CO -0.31 0.54 -0.10 -1.28 -0.62 0.00 0.00 178.44 176.67 2wk3 h SER 348 N 0.94 -0.40 -0.43 1.25 0.87 -1.71 0.82 113.55 114.89 2wk3 h SER 348 Ca 0.31 0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 60.92 2wk3 h SER 348 Cb 0.03 0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2wk3 h SER 348 CO -0.12 -0.14 -0.07 -0.08 -0.53 0.00 0.00 176.83 175.89 2wk3 h GLU 349 N 0.01 0.81 -0.31 2.24 4.57 -1.08 -1.49 114.58 119.33 2wk3 h GLU 349 Ca 0.22 -0.30 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 2wk3 h GLU 349 Cb 0.33 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 2wk3 h GLU 349 CO -0.46 0.91 0.10 -0.07 -1.18 0.00 0.00 179.01 178.31 2wk3 h LEU 350 N 0.63 0.40 0.06 1.64 3.38 -0.92 -1.52 115.31 118.98 2wk3 h LEU 350 Ca 0.11 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 2wk3 h LEU 350 Cb 0.60 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.26 2wk3 h LEU 350 CO 0.04 0.39 -0.60 0.50 0.09 0.00 0.00 178.44 178.85 2wk3 h LYS 351 N 0.44 0.29 -0.66 1.13 3.64 -0.69 0.39 116.57 121.11 2wk3 h LYS 351 Ca 0.11 -0.40 0.10 0.00 -1.27 0.00 0.00 60.65 59.19 2wk3 h LYS 351 Cb 0.13 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 2wk3 h LYS 351 CO -0.01 1.13 0.44 0.77 -2.27 0.00 0.00 179.45 179.52 2wk3 h SER 352 N -0.35 0.44 0.09 4.20 0.02 -0.95 0.49 113.55 117.48 2wk3 h SER 352 Ca -0.09 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2wk3 h SER 352 Cb 1.40 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.86 2wk3 h SER 352 CO 0.12 0.26 0.00 0.29 -1.14 0.00 0.00 176.83 176.36 2wk3 n LYS 353 N -4.48 0.80 -1.77 3.45 5.02 -0.60 -4.86 118.16 115.71 2wk3 n LYS 353 Ca 0.11 0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.32 2wk3 n LYS 353 Cb 0.37 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.87 2wk3 n LYS 353 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wk3 n GLY 354 N 0.80 0.46 0.10 0.72 0.00 0.17 -4.94 105.19 102.50 2wk3 n GLY 354 Ca 0.20 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 2wk3 n GLY 354 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wk3 n TRP 355 N -3.47 0.15 -4.03 1.61 8.01 0.11 -4.34 117.44 115.48 2wk3 n TRP 355 Ca -0.10 0.05 -0.08 0.00 -1.31 0.00 0.00 57.50 56.07 2wk3 n TRP 355 Cb 0.45 -1.03 -0.10 0.00 -2.01 0.00 0.00 31.31 28.63 2wk3 n TRP 355 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.69 176.82 2wk3 s VAL 356 N -2.51 0.19 -0.10 -0.99 -7.23 -1.11 -2.00 120.40 106.65 2wk3 s VAL 356 Ca -0.15 -1.55 0.08 0.00 -1.81 0.00 0.00 61.98 58.56 2wk3 s VAL 356 Cb 0.07 -1.29 -0.12 0.00 0.56 0.00 0.00 36.38 35.60 2wk3 s VAL 356 CO 0.78 -0.86 0.03 0.59 -0.31 0.00 0.00 175.10 175.34 2wk3 n ASN 357 N 0.32 2.64 -3.87 4.85 3.02 -1.26 -4.05 115.26 116.90 2wk3 n ASN 357 Ca -0.16 -0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.28 2wk3 n ASN 357 Cb 0.60 0.72 -0.09 0.00 -0.61 0.00 0.00 39.78 40.40 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 -2.23 0.10 -0.04 3.41 -4.23 -1.26 -5.03 115.64 106.35 2wk3 s THR 358 Ca -0.05 -0.82 -0.02 0.00 -1.18 0.00 0.00 61.69 59.62 2wk3 s THR 358 Cb 0.03 -0.65 0.02 0.00 1.34 0.00 0.00 72.50 73.24 2wk3 s THR 358 CO 0.39 -0.45 0.10 -0.22 -0.54 0.00 0.00 174.62 173.90 2wk3 s LEU 359 N -1.71 1.23 -0.06 4.79 0.20 -1.26 -2.03 118.68 119.84 2wk3 s LEU 359 Ca -0.10 0.20 0.05 0.00 0.69 0.00 0.00 54.13 54.96 2wk3 s LEU 359 Cb -0.05 0.26 -0.00 0.00 -0.43 0.00 0.00 46.19 45.97 2wk3 s LEU 359 CO -0.01 -0.09 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.07 2wk3 s VAL 360 N 0.62 1.69 0.02 1.68 1.01 0.09 -4.98 120.40 120.53 2wk3 s VAL 360 Ca -0.05 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.08 2wk3 s VAL 360 Cb -0.07 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 2wk3 s VAL 360 CO -0.03 0.48 -0.03 -0.83 0.00 0.00 0.00 175.10 174.69 2wk3 s GLY 361 N 0.07 0.23 0.00 4.51 0.00 -1.26 -0.46 107.32 110.41 2wk3 s GLY 361 Ca -0.07 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.09 2wk3 s GLY 361 CO 0.04 -0.63 0.00 0.61 0.00 0.00 0.00 173.10 173.12 2wk3 n GLY 362 N 1.68 0.97 3.80 0.20 0.00 -0.51 -4.57 105.19 106.77 2wk3 n GLY 362 Ca -0.23 -1.88 -0.38 0.00 0.00 0.00 0.00 46.02 43.53 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 -2.00 4.13 -0.07 1.61 -2.07 -1.26 -0.56 119.66 119.44 2wk3 s GLN 363 Ca 0.00 0.58 0.04 0.00 -1.82 0.00 0.00 55.36 54.16 2wk3 s GLN 363 Cb 0.00 -3.27 0.00 0.00 -1.09 0.00 0.00 33.01 28.65 2wk3 s GLN 363 CO 0.00 0.56 -0.20 0.21 -1.32 0.00 0.00 175.29 174.55 2wk3 s LYS 364 N -0.76 2.32 0.57 9.60 2.20 -0.10 -4.96 119.74 128.61 2wk3 s LYS 364 Ca 0.27 -0.70 -0.20 0.00 -0.36 0.00 0.00 55.97 54.98 2wk3 s LYS 364 Cb -0.18 -1.87 -0.04 0.00 -1.51 0.00 0.00 37.83 34.23 2wk3 s LYS 364 CO 0.16 0.19 1.25 -1.21 -0.36 0.00 0.00 175.35 175.38 2wk3 s GLU 365 N 0.26 3.06 0.00 4.03 2.02 -1.26 -1.34 118.70 125.47 2wk3 s GLU 365 Ca -0.12 1.95 0.00 0.00 0.02 0.00 0.00 54.97 56.83 2wk3 s GLU 365 Cb -0.15 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 32.02 2wk3 s GLU 365 CO 0.05 -1.17 0.00 0.41 0.02 0.00 0.00 175.26 174.58 2wk3 n GLY 366 N 0.61 1.05 2.24 -1.39 0.00 -1.21 -4.67 105.19 101.81 2wk3 n GLY 366 Ca 0.12 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.24 -1.51 4.61 0.00 -0.85 -5.00 120.51 114.53 2wk3 n ALA 367 Ca 0.00 -1.07 -0.55 0.00 0.00 0.00 0.00 53.44 51.82 2wk3 n ALA 367 Cb 0.00 0.87 -0.08 0.00 0.00 0.00 0.00 19.45 20.24 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 0.92 0.00 0.00 5.12 -1.26 -1.88 116.66 119.18 2wk3 n ARG 368 Ca 0.00 0.29 0.00 0.00 -1.93 0.00 0.00 57.85 56.21 2wk3 n ARG 368 Cb 0.39 -2.17 0.00 0.00 -1.16 0.00 0.00 32.46 29.52 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 5.87 2.01 3.28 -0.13 0.00 -1.26 -0.46 105.19 114.51 2wk3 n GLY 369 Ca 0.38 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.39 -0.27 0.25 1.61 -0.12 -0.79 -4.07 117.98 112.20 2wk3 s PHE 370 Ca 0.00 0.45 0.04 0.00 -0.05 0.00 0.00 56.93 57.37 2wk3 s PHE 370 Cb 0.00 0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 42.52 2wk3 s PHE 370 CO 0.00 -0.41 0.16 -1.33 -0.05 0.00 0.00 175.22 173.59 2wk3 n MET 371 N 1.34 0.43 -4.22 1.99 2.81 -0.85 -2.01 117.12 116.61 2wk3 n MET 371 Ca -0.21 -2.31 -0.16 0.00 -1.81 0.00 0.00 57.70 53.21 2wk3 n MET 371 Cb 0.56 1.66 -0.11 0.00 -0.71 0.00 0.00 33.22 34.62 2wk3 n MET 371 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 2wk3 s PHE 372 N -2.81 1.26 -0.14 2.03 0.40 -0.45 -1.81 117.98 116.47 2wk3 s PHE 372 Ca 0.22 -0.61 0.02 0.00 -0.60 0.00 0.00 56.93 55.97 2wk3 s PHE 372 Cb 0.01 -0.67 0.00 0.00 0.51 0.00 0.00 43.02 42.88 2wk3 s PHE 372 CO 0.16 0.09 -0.21 0.12 0.70 0.00 0.00 175.22 176.08 2wk3 s PHE 373 N -2.36 2.68 0.24 0.36 2.19 0.41 -0.92 117.98 120.58 2wk3 s PHE 373 Ca 0.08 -1.21 0.11 0.00 0.33 0.00 0.00 56.93 56.24 2wk3 s PHE 373 Cb -0.03 -1.81 -0.05 0.00 -1.31 0.00 0.00 43.02 39.82 2wk3 s PHE 373 CO 0.02 -0.54 -0.19 0.96 1.83 0.00 0.00 175.22 177.30 2wk3 s ILE 374 N 0.71 2.22 -0.18 3.12 -5.25 0.28 -0.67 121.20 121.42 2wk3 s ILE 374 Ca -0.09 -2.26 -0.04 0.00 -0.99 0.00 0.00 60.65 57.27 2wk3 s ILE 374 Cb -0.16 -2.17 0.08 0.00 2.95 0.00 0.00 42.46 43.16 2wk3 s ILE 374 CO 0.01 -0.40 0.19 -0.63 -1.79 0.00 0.00 174.94 172.33 2wk3 s ILE 375 N -2.45 -0.28 -0.00 8.37 1.01 0.23 -1.42 121.20 126.66 2wk3 s ILE 375 Ca 0.25 -0.06 0.07 0.00 0.00 0.00 0.00 60.65 60.92 2wk3 s ILE 375 Cb -0.05 -0.61 -0.02 0.00 0.01 0.00 0.00 42.46 41.79 2wk3 s ILE 375 CO 0.12 -0.17 -0.23 0.20 0.00 0.00 0.00 174.94 174.85 2wk3 s ASN 376 N 2.29 2.74 0.03 3.58 0.01 0.39 -1.36 114.94 122.62 2wk3 s ASN 376 Ca 0.05 -0.45 0.00 0.00 -0.71 0.00 0.00 52.86 51.76 2wk3 s ASN 376 Cb -0.15 -0.29 -0.02 0.00 0.41 0.00 0.00 41.25 41.19 2wk3 s ASN 376 CO -0.11 0.27 -0.04 0.68 -1.51 0.00 0.00 177.10 176.39 2wk3 s VAL 377 N -0.60 0.19 0.67 1.60 -7.23 -0.34 -0.73 120.40 113.97 2wk3 s VAL 377 Ca 0.09 -1.13 -0.05 0.00 -1.81 0.00 0.00 61.98 59.09 2wk3 s VAL 377 Cb -0.09 -0.57 0.06 0.00 0.56 0.00 0.00 36.38 36.34 2wk3 s VAL 377 CO -0.00 -0.59 0.96 1.51 -0.31 0.00 0.00 175.10 176.67 2wk3 s ASP 378 N -1.79 4.86 -0.04 4.85 3.84 -0.86 -1.59 116.67 125.94 2wk3 s ASP 378 Ca -0.10 0.29 0.05 0.00 -0.00 0.00 0.00 52.55 52.79 2wk3 s ASP 378 Cb -0.06 -0.97 -0.01 0.00 -1.38 0.00 0.00 42.92 40.50 2wk3 s ASP 378 CO -0.03 -1.53 -0.18 -0.76 -0.00 0.00 0.00 175.17 172.68 2wk3 s LEU 379 N -5.14 1.95 0.90 2.11 1.43 -0.04 -4.12 118.68 115.77 2wk3 s LEU 379 Ca 0.60 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 53.21 2wk3 s LEU 379 Cb -0.10 -1.00 0.14 0.00 0.03 0.00 0.00 46.19 45.26 2wk3 s LEU 379 CO 0.43 0.17 1.17 0.42 0.23 0.00 0.00 176.35 178.78 2wk3 s THR 380 N -0.07 1.98 0.34 5.49 -4.23 -0.85 -4.68 115.64 113.62 2wk3 s THR 380 Ca -0.02 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.55 2wk3 s THR 380 Cb -0.11 -2.84 0.30 0.00 1.34 0.00 0.00 72.50 71.20 2wk3 s THR 380 CO 0.02 0.00 1.89 -0.33 -0.54 0.00 0.00 174.62 175.66 2wk3 h GLU 381 N -1.44 0.79 -0.09 3.99 5.08 -1.90 -1.61 114.58 119.39 2wk3 h GLU 381 Ca -0.48 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 57.81 2wk3 h GLU 381 Cb 1.32 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 2wk3 h GLU 381 CO 0.59 0.52 -0.02 0.93 -1.00 0.00 0.00 179.01 180.03 2wk3 h GLU 382 N 0.81 0.18 0.00 2.33 4.39 -1.91 -3.14 114.58 117.25 2wk3 h GLU 382 Ca 0.42 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 60.04 2wk3 h GLU 382 Cb 0.51 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2wk3 h GLU 382 CO -0.18 0.50 -0.04 0.78 -1.16 0.00 0.00 179.01 178.90 2wk3 h GLY 383 N -0.14 0.00 1.43 -3.84 0.00 -1.60 0.59 103.07 99.51 2wk3 h GLY 383 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 2wk3 h GLY 383 CO 0.01 0.00 0.14 -2.00 0.00 0.00 0.00 176.54 174.69 2wk3 h LEU 384 N 0.00 0.67 -0.39 3.11 5.85 -1.25 -2.12 115.31 121.18 2wk3 h LEU 384 Ca -0.00 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2wk3 h LEU 384 Cb 0.09 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.95 2wk3 h LEU 384 CO 0.01 0.64 -0.10 0.18 -0.34 0.00 0.00 178.44 178.83 2wk3 n LEU 385 N -4.31 0.71 -1.50 2.25 4.77 0.20 -4.07 117.00 115.05 2wk3 n LEU 385 Ca 0.04 -0.14 -0.03 0.00 -0.03 0.00 0.00 56.01 55.85 2wk3 n LEU 385 Cb 0.19 -0.12 0.10 0.00 -2.33 0.00 0.00 43.42 41.26 2wk3 n LEU 385 CO 0.39 0.13 0.19 1.41 -1.33 0.00 0.00 177.39 178.18 2wk3 n HIS 386 N -0.69 0.89 -0.27 -1.77 8.25 -0.80 -4.87 115.22 115.96 2wk3 n HIS 386 Ca 0.16 -1.56 -0.03 0.00 -0.26 0.00 0.00 57.72 56.03 2wk3 n HIS 386 Cb 0.28 -0.25 0.09 0.00 1.12 0.00 0.00 29.99 31.23 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 3.33 1.12 -0.56 1.59 2.07 -1.69 0.14 116.25 122.25 2wk3 h VAL 387 Ca 0.02 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 2wk3 h VAL 387 Cb 1.38 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2wk3 h VAL 387 CO 0.24 0.17 0.25 -0.08 0.02 0.00 0.00 177.57 178.18 2wk3 h GLU 388 N 0.95 0.80 -0.18 1.57 4.81 -1.92 0.15 114.58 120.76 2wk3 h GLU 388 Ca 0.30 -0.11 -0.13 0.00 -0.13 0.00 0.00 59.36 59.29 2wk3 h GLU 388 Cb 0.00 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.23 2wk3 h GLU 388 CO -0.11 0.63 -0.40 -0.44 -0.73 0.00 0.00 179.01 177.96 2wk3 h ASP 389 N 0.80 0.67 -0.53 1.04 3.32 -1.63 -1.61 116.42 118.48 2wk3 h ASP 389 Ca 0.20 -0.56 0.06 0.00 0.02 0.00 0.00 57.03 56.74 2wk3 h ASP 389 Cb 0.11 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.41 2wk3 h ASP 389 CO -0.02 1.11 0.24 0.40 -1.72 0.00 0.00 179.24 179.24 2wk3 h ILE 390 N 0.26 0.89 -0.38 0.35 2.04 -0.15 -1.36 117.51 119.15 2wk3 h ILE 390 Ca 0.00 -0.16 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 2wk3 h ILE 390 Cb 1.01 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 2wk3 h ILE 390 CO 0.09 0.08 -0.15 0.40 0.00 0.00 0.00 178.15 178.58 2wk3 h ILE 391 N 0.46 1.26 -0.88 -0.67 2.04 -0.62 -1.03 117.51 118.07 2wk3 h ILE 391 Ca 0.25 -1.18 0.02 0.00 1.00 0.00 0.00 64.86 64.95 2wk3 h ILE 391 Cb 0.22 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 2wk3 h ILE 391 CO -0.21 0.40 0.58 0.25 0.00 0.00 0.00 178.15 179.17 2wk3 h LEU 392 N 0.62 0.98 -1.06 1.44 5.85 -0.50 -0.01 115.31 122.63 2wk3 h LEU 392 Ca 0.10 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 2wk3 h LEU 392 Cb 0.60 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2wk3 h LEU 392 CO 0.04 0.69 -0.31 0.45 -0.34 0.00 0.00 178.44 178.98 2wk3 h HIS 393 N 1.15 0.31 0.04 1.25 3.86 -0.16 0.12 115.15 121.72 2wk3 h HIS 393 Ca 0.33 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.48 2wk3 h HIS 393 Cb -0.06 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.33 2wk3 h HIS 393 CO -0.00 0.56 -0.02 0.52 0.86 0.00 0.00 177.93 179.85 2wk3 h MET 394 N 0.24 -0.05 0.00 2.45 2.86 -0.08 0.23 114.93 120.59 2wk3 h MET 394 Ca 0.03 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 2wk3 h MET 394 Cb 0.67 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 2wk3 h MET 394 CO 0.05 -0.02 -0.30 0.74 1.06 0.00 0.00 176.91 178.44 2wk3 h PHE 395 N -0.07 0.00 -0.16 -0.22 -1.00 -0.66 0.09 116.94 114.92 2wk3 h PHE 395 Ca -0.01 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.73 2wk3 h PHE 395 Cb 0.06 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.61 2wk3 h PHE 395 CO -0.07 0.30 -0.07 1.96 -1.61 0.00 0.00 178.31 178.82 2wk3 h GLN 396 N 0.00 0.32 -0.06 1.51 4.20 -0.26 0.13 115.11 120.95 2wk3 h GLN 396 Ca -0.00 -0.14 0.01 0.00 0.06 0.00 0.00 58.65 58.57 2wk3 h GLN 396 Cb 0.64 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 2wk3 h GLN 396 CO 0.04 0.64 0.01 -0.92 -0.67 0.00 0.00 178.83 177.93 2wk3 h TYR 397 N -0.00 0.02 -0.74 2.96 3.20 0.22 -1.58 116.97 121.05 2wk3 h TYR 397 Ca 0.04 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.05 2wk3 h TYR 397 Cb 0.54 -0.00 -0.10 0.00 1.54 0.00 0.00 36.73 38.71 2wk3 h TYR 397 CO 0.06 0.01 0.27 0.82 -1.64 0.00 0.00 178.16 177.68 2wk3 h ILE 398 N 0.04 0.64 -0.77 1.81 2.04 -0.93 -1.41 117.51 118.93 2wk3 h ILE 398 Ca 0.03 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 2wk3 h ILE 398 Cb 0.02 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.26 2wk3 h ILE 398 CO -0.04 0.07 0.41 -0.61 0.00 0.00 0.00 178.15 177.99 2wk3 h GLN 399 N 0.40 1.08 -0.59 2.37 5.75 -0.34 0.06 115.11 123.84 2wk3 h GLN 399 Ca 0.41 -0.13 0.06 0.00 -0.15 0.00 0.00 58.65 58.84 2wk3 h GLN 399 Cb 0.62 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.93 2wk3 h GLN 399 CO -0.42 0.80 0.39 -0.22 -2.65 0.00 0.00 178.83 176.73 2wk3 h LYS 400 N 1.08 0.56 -0.32 1.69 1.63 -0.27 0.18 116.57 121.12 2wk3 h LYS 400 Ca 0.27 -0.03 -0.17 0.00 -0.85 0.00 0.00 60.65 59.87 2wk3 h LYS 400 Cb 0.04 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.54 2wk3 h LYS 400 CO -0.04 0.37 -0.47 -0.07 -3.45 0.00 0.00 179.45 175.79 2wk3 h LEU 401 N 0.58 0.96 -0.00 5.20 3.38 -0.56 -1.12 115.31 123.74 2wk3 h LEU 401 Ca 0.25 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.74 2wk3 h LEU 401 Cb 0.26 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2wk3 h LEU 401 CO -0.07 1.28 -0.13 0.03 0.09 0.00 0.00 178.44 179.64 2wk3 h ARG 402 N 0.67 -0.21 -0.59 1.13 3.08 -0.44 -2.23 114.38 115.79 2wk3 h ARG 402 Ca 0.03 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.22 2wk3 h ARG 402 Cb 1.07 0.05 -0.10 0.00 0.08 0.00 0.00 29.97 31.07 2wk3 h ARG 402 CO 0.11 -0.14 0.02 0.00 -1.07 0.00 0.00 179.97 178.89 2wk3 h ALA 403 N 0.75 0.59 0.00 0.04 0.00 -0.58 -2.76 119.26 117.30 2wk3 h ALA 403 Ca 0.05 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2wk3 h ALA 403 Cb 0.27 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2wk3 h ALA 403 CO -0.13 -0.38 -0.04 0.93 0.00 0.00 0.00 179.25 179.62 2wk3 h GLU 404 N 0.13 0.00 -1.54 0.00 4.39 -1.04 -3.50 114.58 113.02 2wk3 h GLU 404 Ca 0.31 0.00 0.17 0.00 0.34 0.00 0.00 59.36 60.17 2wk3 h GLU 404 Cb 0.49 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.07 2wk3 h GLU 404 CO -0.49 0.00 -0.43 0.41 -1.16 0.00 0.00 179.01 177.34 2wk3 n GLY 405 N 1.16 -2.34 3.77 -3.84 0.00 -0.85 -4.89 105.19 98.19 2wk3 n GLY 405 Ca 0.04 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.68 3.81 -0.35 1.61 0.02 -1.26 -4.95 135.00 131.20 2wk3 s PRO 406 Ca 0.00 2.41 0.03 0.00 0.02 0.00 0.00 61.00 63.46 2wk3 s PRO 406 Cb 0.00 -2.73 0.10 0.00 0.02 0.00 0.00 34.50 31.89 2wk3 s PRO 406 CO 0.00 -0.71 0.07 -0.65 -0.33 0.00 0.00 177.00 175.37 2wk3 s GLN 407 N -2.35 1.58 0.29 5.54 -1.52 -1.26 -4.99 119.66 116.95 2wk3 s GLN 407 Ca 0.59 -1.85 0.03 0.00 -1.95 0.00 0.00 55.36 52.17 2wk3 s GLN 407 Cb -0.43 -3.25 0.71 0.00 -0.22 0.00 0.00 33.01 29.81 2wk3 s GLN 407 CO 0.56 -0.95 1.67 1.49 -0.25 0.00 0.00 175.29 177.82 2wk3 h GLU 408 N 7.68 0.30 0.00 2.91 4.81 -2.00 -0.23 114.58 128.04 2wk3 h GLU 408 Ca -0.06 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 2wk3 h GLU 408 Cb 1.02 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 2wk3 h GLU 408 CO 0.54 0.20 -0.17 0.11 -0.73 0.00 0.00 179.01 178.96 2wk3 h TRP 409 N 0.31 0.00 -0.17 0.92 5.08 -1.98 0.10 115.95 120.21 2wk3 h TRP 409 Ca 0.55 0.00 -0.20 0.00 1.08 0.00 0.00 58.89 60.32 2wk3 h TRP 409 Cb 1.07 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.24 2wk3 h TRP 409 CO -0.19 0.17 -0.66 0.28 -1.28 0.00 0.00 178.44 176.75 2wk3 h VAL 410 N 0.00 1.30 -0.45 0.12 2.07 -1.48 -0.93 116.25 116.87 2wk3 h VAL 410 Ca -0.00 -1.88 0.01 0.00 0.82 0.00 0.00 66.70 65.65 2wk3 h VAL 410 Cb 0.36 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 2wk3 h VAL 410 CO 0.02 0.59 0.29 0.15 0.02 0.00 0.00 177.57 178.64 2wk3 h PHE 411 N 0.45 0.55 -0.69 1.57 3.57 -1.04 -1.38 116.94 119.97 2wk3 h PHE 411 Ca -0.04 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.60 2wk3 h PHE 411 Cb 1.29 -0.18 -0.09 0.00 2.79 0.00 0.00 35.95 39.76 2wk3 h PHE 411 CO 0.09 0.34 0.25 1.96 -2.23 0.00 0.00 178.31 178.71 2wk3 h GLN 412 N 0.59 0.39 -0.46 1.11 1.08 -0.63 0.12 115.11 117.31 2wk3 h GLN 412 Ca 0.17 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.31 2wk3 h GLN 412 Cb -0.04 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.28 2wk3 h GLN 412 CO -0.05 0.26 0.15 1.49 -0.95 0.00 0.00 178.83 179.72 2wk3 h GLU 413 N 0.40 0.70 -0.30 1.46 4.81 -0.64 -0.22 114.58 120.79 2wk3 h GLU 413 Ca 0.37 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.46 2wk3 h GLU 413 Cb 0.52 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2wk3 h GLU 413 CO -0.38 0.67 0.17 -0.07 -0.73 0.00 0.00 179.01 178.68 2wk3 h LEU 414 N 0.60 0.27 -0.24 1.64 3.38 -0.57 -1.10 115.31 119.29 2wk3 h LEU 414 Ca 0.15 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.17 2wk3 h LEU 414 Cb 0.26 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2wk3 h LEU 414 CO -0.01 0.20 -0.05 0.50 0.09 0.00 0.00 178.44 179.18 2wk3 h LYS 415 N 0.35 0.01 -0.03 1.13 3.64 -0.51 0.75 116.57 121.92 2wk3 h LYS 415 Ca 0.12 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2wk3 h LYS 415 Cb 0.01 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2wk3 h LYS 415 CO -0.06 0.01 -0.01 -0.44 -2.27 0.00 0.00 179.45 176.68 2wk3 h ASP 416 N 0.01 -0.03 -0.28 4.20 3.32 -0.79 0.26 116.42 123.12 2wk3 h ASP 416 Ca 0.12 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 2wk3 h ASP 416 Cb 0.17 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2wk3 h ASP 416 CO -0.24 -0.01 0.17 -0.07 -1.72 0.00 0.00 179.24 177.37 2wk3 h LEU 417 N -0.00 0.33 -1.31 1.55 4.07 -1.05 -0.98 115.31 117.92 2wk3 h LEU 417 Ca 0.02 -0.05 -0.00 0.00 0.08 0.00 0.00 57.88 57.93 2wk3 h LEU 417 Cb 0.02 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 41.65 2wk3 h LEU 417 CO -0.03 0.28 0.38 0.78 -1.08 0.00 0.00 178.44 178.77 2wk3 h ASN 418 N 0.36 0.75 -0.47 -0.43 4.21 -0.40 0.30 115.58 119.90 2wk3 h ASN 418 Ca 0.10 -0.04 -0.07 0.00 1.21 0.00 0.00 56.30 57.51 2wk3 h ASN 418 Cb 0.01 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 37.00 2wk3 h ASN 418 CO -0.02 0.58 0.07 0.00 -1.29 0.00 0.00 177.43 176.76 2wk3 h ALA 419 N 1.55 1.12 -0.03 -0.83 0.00 0.05 -0.15 119.26 120.97 2wk3 h ALA 419 Ca 0.23 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2wk3 h ALA 419 Cb -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2wk3 h ALA 419 CO -0.04 0.57 -0.21 0.28 0.00 0.00 0.00 179.25 179.85 2wk3 h VAL 420 N 0.80 1.48 -0.78 0.00 2.07 -0.07 -0.21 116.25 119.55 2wk3 h VAL 420 Ca 0.17 -1.73 0.17 0.00 0.82 0.00 0.00 66.70 66.13 2wk3 h VAL 420 Cb 0.39 2.51 -0.05 0.00 -1.52 0.00 0.00 31.29 32.61 2wk3 h VAL 420 CO 0.01 0.48 0.52 0.00 0.02 0.00 0.00 177.57 178.60 2wk3 h ALA 421 N 0.36 2.24 0.00 1.67 0.00 -0.36 -1.66 119.26 121.52 2wk3 h ALA 421 Ca -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wk3 h ALA 421 Cb 0.89 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2wk3 h ALA 421 CO 0.04 -0.46 -0.00 0.35 0.00 0.00 0.00 179.25 179.18 2wk3 h PHE 422 N 0.33 -0.00 -0.93 0.00 3.57 -0.38 -1.60 116.94 117.93 2wk3 h PHE 422 Ca 0.39 -0.00 0.24 0.00 3.53 0.00 0.00 57.97 62.12 2wk3 h PHE 422 Cb 1.02 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 39.63 2wk3 h PHE 422 CO -0.00 0.90 0.46 -0.09 -2.23 0.00 0.00 178.31 177.34 2wk3 h ARG 423 N -0.98 0.43 -0.26 1.11 2.43 -0.81 -2.20 114.38 114.10 2wk3 h ARG 423 Ca -0.00 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 2wk3 h ARG 423 Cb 0.90 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.31 2wk3 h ARG 423 CO 0.00 0.28 -0.04 1.19 -1.51 0.00 0.00 179.97 179.89 2wk3 n PHE 424 N -5.01 0.87 -1.69 2.20 3.01 -0.65 -4.55 117.46 111.65 2wk3 n PHE 424 Ca 0.24 -1.21 -0.44 0.00 1.01 0.00 0.00 57.45 57.06 2wk3 n PHE 424 Cb 0.71 -0.37 -0.02 0.00 -0.01 0.00 0.00 39.48 39.79 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 -0.89 2.11 -1.68 -1.08 4.81 -0.61 -4.92 118.16 115.90 2wk3 n LYS 425 Ca 0.26 0.75 -0.43 0.00 -0.87 0.00 0.00 58.31 58.02 2wk3 n LYS 425 Cb 0.92 -2.38 -0.01 0.00 0.02 0.00 0.00 35.03 33.58 2wk3 n LYS 425 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2wk3 n ASP 426 N 1.60 2.51 -4.69 3.14 8.00 -1.26 -4.95 116.55 120.90 2wk3 n ASP 426 Ca 0.09 1.20 -0.42 0.00 0.71 0.00 0.00 54.79 56.37 2wk3 n ASP 426 Cb 0.34 -1.45 -0.03 0.00 -0.02 0.00 0.00 41.12 39.96 2wk3 n ASP 426 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2wk3 s LYS 427 N -1.76 4.17 0.57 -1.24 2.20 -1.26 -4.99 119.74 117.43 2wk3 s LYS 427 Ca 0.57 2.44 -0.13 0.00 -0.36 0.00 0.00 55.97 58.48 2wk3 s LYS 427 Cb -0.60 -3.65 -0.06 0.00 -1.51 0.00 0.00 37.83 32.02 2wk3 s LYS 427 CO 0.61 -0.79 0.99 -1.21 -0.36 0.00 0.00 175.35 174.59 2wk3 s GLU 428 N 2.86 3.74 0.28 4.03 8.01 -1.26 -4.31 118.70 132.04 2wk3 s GLU 428 Ca 0.77 0.79 -0.29 0.00 0.01 0.00 0.00 54.97 56.25 2wk3 s GLU 428 Cb -0.42 -2.13 -0.10 0.00 -4.31 0.00 0.00 34.13 27.18 2wk3 s GLU 428 CO 0.34 -0.42 1.35 1.03 0.01 0.00 0.00 175.26 177.57 2wk3 s ARG 429 N -4.69 4.34 0.27 1.61 0.52 -1.26 -4.93 118.95 114.81 2wk3 s ARG 429 Ca 0.56 2.21 -0.02 0.00 -0.52 0.00 0.00 55.73 57.96 2wk3 s ARG 429 Cb -0.11 -3.11 0.41 0.00 0.52 0.00 0.00 34.95 32.67 2wk3 s ARG 429 CO 0.44 -0.27 1.90 -1.35 0.02 0.00 0.00 175.30 176.05 2wk3 h PRO 430 N 4.24 1.14 -0.20 3.54 0.11 -1.96 -2.67 132.00 136.20 2wk3 h PRO 430 Ca -0.47 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 65.59 2wk3 h PRO 430 Cb 1.22 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 2wk3 h PRO 430 CO 0.71 0.76 0.08 -0.09 -0.21 0.00 0.00 178.00 179.25 2wk3 h ARG 431 N 1.18 0.17 -0.11 1.05 2.43 -1.91 -1.38 114.38 115.82 2wk3 h ARG 431 Ca 0.41 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.48 2wk3 h ARG 431 Cb 0.10 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2wk3 h ARG 431 CO -0.14 0.11 -0.30 0.78 -1.51 0.00 0.00 179.97 178.91 2wk3 h GLY 432 N 0.18 0.21 1.22 2.80 0.00 -1.93 -3.03 103.07 102.52 2wk3 h GLY 432 Ca 0.09 -0.17 -0.29 0.00 0.00 0.00 0.00 47.33 46.95 2wk3 h GLY 432 CO -0.08 0.16 -1.21 -1.82 0.00 0.00 0.00 176.54 173.58 2wk3 h TYR 433 N 0.18 1.02 -0.46 5.60 3.20 -1.09 -0.43 116.97 124.99 2wk3 h TYR 433 Ca 0.03 -0.63 -0.06 0.00 3.14 0.00 0.00 58.73 61.21 2wk3 h TYR 433 Cb 0.62 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 2wk3 h TYR 433 CO 0.01 1.47 0.07 1.79 -1.64 0.00 0.00 178.16 179.86 2wk3 h THR 434 N 0.29 1.25 0.04 1.81 1.35 -1.31 -0.50 112.91 115.84 2wk3 h THR 434 Ca -0.18 -0.91 0.01 0.00 -0.55 0.00 0.00 66.41 64.78 2wk3 h THR 434 Cb 1.88 0.94 -0.01 0.00 -1.73 0.00 0.00 68.15 69.23 2wk3 h THR 434 CO 0.23 0.32 -0.09 -1.28 -0.25 0.00 0.00 175.52 174.45 2wk3 h SER 435 N 0.64 -0.25 -0.20 5.36 0.87 -1.45 0.02 113.55 118.53 2wk3 h SER 435 Ca 0.14 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 2wk3 h SER 435 Cb 0.39 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 2wk3 h SER 435 CO 0.01 -0.14 0.05 0.50 -0.53 0.00 0.00 176.83 176.73 2wk3 h LYS 436 N -0.18 0.32 -0.18 2.24 1.63 -0.98 -2.39 116.57 117.04 2wk3 h LYS 436 Ca 0.02 -0.08 -0.09 0.00 -0.85 0.00 0.00 60.65 59.65 2wk3 h LYS 436 Cb 0.20 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 2wk3 h LYS 436 CO -0.06 0.44 -0.30 0.82 -3.45 0.00 0.00 179.45 176.90 2wk3 h ILE 437 N 0.15 1.27 -0.30 2.00 2.04 -0.86 -2.23 117.51 119.59 2wk3 h ILE 437 Ca 0.06 -1.30 0.06 0.00 1.00 0.00 0.00 64.86 64.68 2wk3 h ILE 437 Cb 0.26 1.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 2wk3 h ILE 437 CO -0.00 0.40 -0.05 0.00 0.00 0.00 0.00 178.15 178.50 2wk3 h ALA 438 N 1.38 0.22 -0.53 1.87 0.00 -0.72 0.18 119.26 121.66 2wk3 h ALA 438 Ca 0.04 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2wk3 h ALA 438 Cb 0.69 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2wk3 h ALA 438 CO 0.05 -0.45 0.33 0.78 0.00 0.00 0.00 179.25 179.97 2wk3 h GLY 439 N 0.03 0.75 1.83 0.00 0.00 -1.14 -3.11 103.07 101.44 2wk3 h GLY 439 Ca 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2wk3 h GLY 439 CO -0.28 0.23 -0.13 0.16 0.00 0.00 0.00 176.54 176.51 2wk3 h ILE 440 N 0.66 0.00 -0.09 2.60 3.07 -0.61 -3.13 117.51 120.02 2wk3 h ILE 440 Ca 0.21 -0.60 0.03 0.00 1.55 0.00 0.00 64.86 66.05 2wk3 h ILE 440 Cb -0.01 1.51 -0.00 0.00 -0.27 0.00 0.00 36.82 38.05 2wk3 h ILE 440 CO -0.08 0.00 0.13 -0.07 -1.05 0.00 0.00 178.15 177.08 2wk3 h LEU 441 N 0.00 0.00 -0.55 0.16 3.38 -0.63 0.15 115.31 117.82 2wk3 h LEU 441 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wk3 h LEU 441 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2wk3 h LEU 441 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.94 2wk3 n HIS 442 N -3.58 0.78 0.36 1.13 8.25 -1.18 -3.81 115.22 117.16 2wk3 n HIS 442 Ca -0.01 0.29 0.04 0.00 -0.26 0.00 0.00 57.72 57.79 2wk3 n HIS 442 Cb 0.23 -0.97 -0.05 0.00 1.12 0.00 0.00 29.99 30.31 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 -2.19 0.00 -3.91 4.41 4.02 0.51 -5.05 117.16 114.95 2wk3 n TYR 443 Ca 0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.81 2wk3 n TYR 443 Cb 0.26 -0.03 -0.11 0.00 -0.02 0.00 0.00 39.34 39.43 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 -1.97 0.10 0.31 -0.72 2.02 -1.20 -5.08 117.35 110.81 2wk3 s TYR 444 Ca 0.02 -0.21 -0.29 0.00 -0.37 0.00 0.00 57.07 56.22 2wk3 s TYR 444 Cb 0.07 -0.09 -0.13 0.00 -0.40 0.00 0.00 41.96 41.41 2wk3 s TYR 444 CO 0.37 -0.19 1.28 -2.30 -1.57 0.00 0.00 175.55 173.14 2wk3 n PRO 445 N 1.88 1.99 -0.21 -1.71 -0.02 -1.26 -4.81 135.00 130.85 2wk3 n PRO 445 Ca -0.21 0.70 0.10 0.00 -2.02 0.00 0.00 63.50 62.07 2wk3 n PRO 445 Cb 0.56 -2.27 0.20 0.00 -0.02 0.00 0.00 33.50 31.97 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 1.18 -0.04 0.27 2.45 4.32 -1.26 -0.60 117.00 123.32 2wk3 n LEU 446 Ca 0.07 1.04 0.17 0.00 -0.02 0.00 0.00 56.01 57.28 2wk3 n LEU 446 Cb 0.34 -0.39 0.71 0.00 -1.62 0.00 0.00 43.42 42.46 2wk3 n LEU 446 CO 0.62 -1.07 1.00 -0.33 -1.22 0.00 0.00 177.39 176.39 2wk3 h GLU 447 N 0.00 0.00 -0.02 3.23 3.07 -1.87 -2.88 114.58 116.11 2wk3 h GLU 447 Ca 0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 2wk3 h GLU 447 Cb 0.83 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 2wk3 h GLU 447 CO -0.57 0.00 -0.04 0.39 -1.40 0.00 0.00 179.01 177.40 2wk3 n GLU 448 N -3.03 1.25 0.09 2.33 1.02 0.23 -1.98 120.64 120.55 2wk3 n GLU 448 Ca 0.00 -1.36 0.11 0.00 -0.02 0.00 0.00 57.16 55.90 2wk3 n GLU 448 Cb 0.28 -1.29 0.59 0.00 -0.02 0.00 0.00 31.44 31.00 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 2.91 0.94 0.15 2.62 -1.51 -1.41 1.21 116.25 121.16 2wk3 h VAL 449 Ca 0.00 -0.06 -0.22 0.00 -1.23 0.00 0.00 66.70 65.19 2wk3 h VAL 449 Cb 0.64 0.75 0.02 0.00 -2.13 0.00 0.00 31.29 30.57 2wk3 h VAL 449 CO 0.00 0.03 -1.02 -0.07 -1.23 0.00 0.00 177.57 175.28 2wk3 h LEU 450 N 0.17 0.50 0.07 4.19 4.07 -1.84 -3.38 115.31 119.09 2wk3 h LEU 450 Ca 0.14 -0.93 -0.26 0.00 0.08 0.00 0.00 57.88 56.91 2wk3 h LEU 450 Cb 0.32 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 2wk3 h LEU 450 CO -0.02 1.48 -1.24 0.71 -1.08 0.00 0.00 178.44 178.29 2wk3 h THR 451 N -0.30 1.48 -0.99 0.22 1.35 -1.54 -3.39 112.91 109.74 2wk3 h THR 451 Ca -0.19 -3.13 0.34 0.00 -0.55 0.00 0.00 66.41 62.88 2wk3 h THR 451 Cb 1.73 2.84 -0.18 0.00 -1.73 0.00 0.00 68.15 70.81 2wk3 h THR 451 CO 0.15 0.88 0.28 0.00 -0.25 0.00 0.00 175.52 176.59 2wk3 h ALA 452 N 0.75 1.65 -0.01 6.62 0.00 0.13 0.32 119.26 128.72 2wk3 h ALA 452 Ca -0.12 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2wk3 h ALA 452 Cb 1.91 0.45 0.00 0.00 0.00 0.00 0.00 17.79 20.15 2wk3 h ALA 452 CO 0.16 -0.74 -0.03 0.39 0.00 0.00 0.00 179.25 179.02 2wk3 n GLU 453 N -5.36 1.29 -0.01 0.00 1.02 -1.26 -4.20 120.64 112.11 2wk3 n GLU 453 Ca 0.30 -0.56 -0.05 0.00 -0.02 0.00 0.00 57.16 56.83 2wk3 n GLU 453 Cb 1.01 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.92 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 -0.36 0.00 -2.67 -0.32 4.01 0.10 -5.06 117.16 112.85 2wk3 n TYR 454 Ca 0.19 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.56 2wk3 n TYR 454 Cb 0.28 -0.19 -0.05 0.00 -0.31 0.00 0.00 39.34 39.06 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 -6.98 4.36 -0.02 7.72 1.02 -0.51 -4.74 118.68 119.52 2wk3 s LEU 455 Ca -0.09 1.97 0.08 0.00 0.02 0.00 0.00 54.13 56.10 2wk3 s LEU 455 Cb 0.02 -3.95 -0.02 0.00 0.02 0.00 0.00 46.19 42.26 2wk3 s LEU 455 CO 0.13 -0.16 -0.26 -0.76 0.02 0.00 0.00 176.35 175.32 2wk3 s LEU 456 N -2.01 2.05 0.00 1.79 1.43 -1.26 -4.83 118.68 115.85 2wk3 s LEU 456 Ca 0.50 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 2wk3 s LEU 456 Cb -0.22 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 44.69 2wk3 s LEU 456 CO 0.28 0.31 0.00 -0.62 0.23 0.00 0.00 176.35 176.55 2wk3 n GLU 457 N 2.42 0.63 -4.59 1.70 1.02 0.92 -4.96 120.64 117.78 2wk3 n GLU 457 Ca -0.16 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.65 2wk3 n GLU 457 Cb 0.51 -0.67 -0.16 0.00 -0.02 0.00 0.00 31.44 31.10 2wk3 n GLU 457 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2wk3 s GLU 458 N -1.34 3.14 -0.03 3.49 2.02 -0.65 -5.02 118.70 120.31 2wk3 s GLU 458 Ca 0.00 -0.79 -0.21 0.00 0.02 0.00 0.00 54.97 53.99 2wk3 s GLU 458 Cb 0.00 -2.55 -0.05 0.00 0.10 0.00 0.00 34.13 31.63 2wk3 s GLU 458 CO 0.00 0.01 0.59 0.12 0.02 0.00 0.00 175.26 176.00 2wk3 s PHE 459 N 0.81 3.65 -0.41 1.61 5.36 -1.26 -4.02 117.98 123.72 2wk3 s PHE 459 Ca -0.06 1.17 0.06 0.00 -0.96 0.00 0.00 56.93 57.13 2wk3 s PHE 459 Cb -0.15 -2.63 0.20 0.00 -0.34 0.00 0.00 43.02 40.10 2wk3 s PHE 459 CO -0.01 0.29 0.42 0.54 -1.46 0.00 0.00 175.22 175.00 2wk3 n ARG 460 N 2.99 0.42 0.31 10.12 5.12 -1.26 -4.94 116.66 129.42 2wk3 n ARG 460 Ca -0.06 -3.21 0.19 0.00 -1.93 0.00 0.00 57.85 52.83 2wk3 n ARG 460 Cb 0.51 -1.50 1.04 0.00 -1.16 0.00 0.00 32.46 31.35 2wk3 n ARG 460 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2wk3 h PRO 461 N 4.97 0.00 -0.28 5.56 0.13 -1.96 -1.48 132.00 138.95 2wk3 h PRO 461 Ca 0.19 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.20 2wk3 h PRO 461 Cb 0.89 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 2wk3 h PRO 461 CO 0.41 0.00 -0.29 0.38 -0.23 0.00 0.00 178.00 178.27 2wk3 h ASP 462 N 0.00 0.73 -0.33 1.44 -0.00 -1.99 -0.96 116.42 115.31 2wk3 h ASP 462 Ca 0.01 -0.48 -0.17 0.00 -0.00 0.00 0.00 57.03 56.39 2wk3 h ASP 462 Cb 0.10 -0.21 -0.00 0.00 -0.00 0.00 0.00 39.33 39.22 2wk3 h ASP 462 CO -0.00 1.06 -0.46 -0.07 -0.00 0.00 0.00 179.24 179.77 2wk3 h LEU 463 N 0.42 0.98 0.18 0.15 3.38 -1.79 0.10 115.31 118.74 2wk3 h LEU 463 Ca 0.04 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 2wk3 h LEU 463 Cb 0.86 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2wk3 h LEU 463 CO 0.07 1.29 -0.15 0.40 0.09 0.00 0.00 178.44 180.14 2wk3 h ILE 464 N 0.70 0.68 -0.85 1.22 2.04 -1.29 0.11 117.51 120.12 2wk3 h ILE 464 Ca 0.04 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.98 2wk3 h ILE 464 Cb 1.06 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 37.75 2wk3 h ILE 464 CO 0.11 0.00 0.50 -0.08 0.00 0.00 0.00 178.15 178.68 2wk3 h GLU 465 N -0.34 0.84 -0.73 2.37 4.81 -1.14 -1.02 114.58 119.36 2wk3 h GLU 465 Ca -0.01 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2wk3 h GLU 465 Cb 0.31 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 2wk3 h GLU 465 CO -0.02 0.55 0.47 1.98 -0.73 0.00 0.00 179.01 181.26 2wk3 h MET 466 N 0.86 0.89 -0.03 1.92 4.05 0.34 -0.95 114.93 122.01 2wk3 h MET 466 Ca 0.40 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.75 2wk3 h MET 466 Cb 0.32 -0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 30.92 2wk3 h MET 466 CO -0.23 0.59 -0.03 0.28 0.23 0.00 0.00 176.91 177.75 2wk3 h VAL 467 N 0.92 1.40 -1.00 -5.77 2.07 -0.30 -3.10 116.25 110.46 2wk3 h VAL 467 Ca 0.28 -1.24 0.28 0.00 0.82 0.00 0.00 66.70 66.84 2wk3 h VAL 467 Cb -0.02 2.18 -0.13 0.00 -1.52 0.00 0.00 31.29 31.79 2wk3 h VAL 467 CO -0.09 0.33 0.58 0.25 0.02 0.00 0.00 177.57 178.66 2wk3 h LEU 468 N -0.42 0.61 -1.80 2.57 5.85 -1.03 0.29 115.31 121.38 2wk3 h LEU 468 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2wk3 h LEU 468 Cb 0.55 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.66 2wk3 h LEU 468 CO 0.01 0.01 0.00 -0.78 -0.34 0.00 0.00 178.44 177.34 2wk3 h ASP 469 N 0.48 0.00 0.90 1.25 3.58 -1.09 0.35 116.42 121.88 2wk3 h ASP 469 Ca 0.68 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.13 2wk3 h ASP 469 Cb 1.40 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.45 2wk3 h ASP 469 CO -0.53 0.00 -0.23 0.29 -2.88 0.00 0.00 179.24 175.90 2wk3 n LYS 470 N -2.80 0.07 -2.86 0.28 4.76 0.10 -4.49 118.16 113.22 2wk3 n LYS 470 Ca -0.01 0.04 -0.43 0.00 -2.87 0.00 0.00 58.31 55.04 2wk3 n LYS 470 Cb 0.17 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 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 -1.68 6.11 -4.21 -0.35 4.77 0.11 -4.78 117.00 116.96 2wk3 n LEU 471 Ca 0.06 -4.88 -0.19 0.00 -0.03 0.00 0.00 56.01 50.97 2wk3 n LEU 471 Cb 0.36 -1.44 -0.12 0.00 -2.33 0.00 0.00 43.42 39.90 2wk3 n LEU 471 CO 0.31 1.36 -0.46 -0.13 -1.33 0.00 0.00 177.39 177.14 2wk3 s ARG 472 N -0.79 0.92 0.56 3.23 0.52 -1.26 -5.03 118.95 117.11 2wk3 s ARG 472 Ca 0.36 -1.09 0.25 0.00 -0.52 0.00 0.00 55.73 54.73 2wk3 s ARG 472 Cb 0.02 -0.89 1.62 0.00 0.52 0.00 0.00 34.95 36.21 2wk3 s ARG 472 CO 0.02 0.19 2.21 -1.35 0.02 0.00 0.00 175.30 176.39 2wk3 h PRO 473 N 3.95 0.00 0.00 3.54 0.11 -1.90 -0.32 132.00 137.38 2wk3 h PRO 473 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2wk3 h PRO 473 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wk3 h PRO 473 CO 0.44 0.01 0.00 1.05 -0.21 0.00 0.00 178.00 179.29 2wk3 h GLU 474 N 0.00 0.00 -0.43 1.05 9.09 -1.96 -2.80 114.58 119.54 2wk3 h GLU 474 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2wk3 h GLU 474 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.11 2wk3 h GLU 474 CO 0.00 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.15 2wk3 n ASN 475 N -2.55 4.51 -4.86 3.06 3.02 -0.13 -4.35 115.26 113.97 2wk3 n ASN 475 Ca 0.02 -2.80 -0.36 0.00 -0.03 0.00 0.00 54.58 51.41 2wk3 n ASN 475 Cb 0.27 -0.56 -0.06 0.00 -0.61 0.00 0.00 39.78 38.81 2wk3 n ASN 475 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2wk3 s VAL 476 N -2.48 5.03 0.01 2.41 0.11 -1.06 -4.22 120.40 120.20 2wk3 s VAL 476 Ca 0.46 0.62 0.07 0.00 -2.93 0.00 0.00 61.98 60.20 2wk3 s VAL 476 Cb 0.34 -3.68 -0.02 0.00 -1.53 0.00 0.00 36.38 31.49 2wk3 s VAL 476 CO 0.14 0.34 -0.21 -0.13 -3.33 0.00 0.00 175.10 171.91 2wk3 s ARG 477 N -1.73 1.59 -0.06 1.54 0.52 0.14 -1.10 118.95 119.85 2wk3 s ARG 477 Ca 0.32 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.67 2wk3 s ARG 477 Cb -0.15 -1.62 0.02 0.00 0.52 0.00 0.00 34.95 33.72 2wk3 s ARG 477 CO 0.17 0.43 -0.03 0.08 0.02 0.00 0.00 175.30 175.97 2wk3 s VAL 478 N -0.64 0.56 -0.06 3.52 1.01 -0.75 -0.52 120.40 123.51 2wk3 s VAL 478 Ca 0.08 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.03 2wk3 s VAL 478 Cb -0.09 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.67 2wk3 s VAL 478 CO 0.00 0.26 -0.16 0.00 0.00 0.00 0.00 175.10 175.21 2wk3 s ALA 479 N 1.37 1.46 -0.14 5.51 0.00 0.49 -0.46 121.76 130.00 2wk3 s ALA 479 Ca -0.04 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.34 2wk3 s ALA 479 Cb -0.13 -0.56 -0.00 0.00 0.00 0.00 0.00 23.12 22.42 2wk3 s ALA 479 CO -0.03 0.21 -0.17 0.42 0.00 0.00 0.00 175.76 176.19 2wk3 s ILE 480 N 0.34 2.64 -0.21 0.00 1.01 0.15 -0.43 121.20 124.69 2wk3 s ILE 480 Ca -0.10 -0.80 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 2wk3 s ILE 480 Cb -0.14 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.23 2wk3 s ILE 480 CO 0.04 0.53 -0.06 -0.69 0.00 0.00 0.00 174.94 174.75 2wk3 s VAL 481 N 0.58 3.28 -0.24 2.92 1.01 0.11 -0.63 120.40 127.43 2wk3 s VAL 481 Ca -0.10 -0.53 -0.26 0.00 0.00 0.00 0.00 61.98 61.09 2wk3 s VAL 481 Cb -0.16 -2.48 0.11 0.00 0.00 0.00 0.00 36.38 33.86 2wk3 s VAL 481 CO 0.03 0.44 0.97 -0.55 0.00 0.00 0.00 175.10 176.00 2wk3 s SER 482 N 1.34 -0.48 0.60 3.32 0.15 -0.57 -1.64 113.70 116.42 2wk3 s SER 482 Ca 0.04 0.83 0.31 0.00 0.70 0.00 0.00 55.95 57.83 2wk3 s SER 482 Cb -0.14 0.81 1.82 0.00 -1.71 0.00 0.00 66.02 66.80 2wk3 s SER 482 CO -0.03 -0.22 2.20 0.11 1.20 0.00 0.00 173.24 176.50 2wk3 h LYS 483 N 3.89 0.00 0.00 5.44 1.79 -1.83 -2.72 116.57 123.14 2wk3 h LYS 483 Ca -0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2wk3 h LYS 483 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2wk3 h LYS 483 CO 0.16 0.00 0.07 -1.13 -1.08 0.00 0.00 179.45 177.47 2wk3 n SER 484 N -3.72 0.40 -0.56 0.86 3.41 -1.26 -0.77 113.62 111.97 2wk3 n SER 484 Ca -0.01 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 2wk3 n SER 484 Cb 0.18 -0.69 0.44 0.00 -0.26 0.00 0.00 64.21 63.88 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 -2.04 0.10 -1.65 7.33 0.99 -1.02 -4.88 117.46 116.28 2wk3 n PHE 485 Ca -0.01 -0.05 -0.52 0.00 -0.00 0.00 0.00 57.45 56.87 2wk3 n PHE 485 Cb 0.09 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.52 2wk3 n PHE 485 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2wk3 n GLU 486 N 0.34 1.50 0.00 -1.08 -0.58 0.05 -1.49 120.64 119.37 2wk3 n GLU 486 Ca 0.18 0.55 0.00 0.00 -0.42 0.00 0.00 57.16 57.46 2wk3 n GLU 486 Cb 0.37 -2.25 0.00 0.00 -0.57 0.00 0.00 31.44 28.98 2wk3 n GLU 486 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wk3 n GLY 487 N 3.40 2.50 1.65 0.62 0.00 -1.26 -4.87 105.19 107.23 2wk3 n GLY 487 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 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 4.01 -4.32 1.61 5.02 -0.56 -4.97 118.16 116.95 2wk3 n LYS 488 Ca 0.00 -3.08 -0.28 0.00 -2.02 0.00 0.00 58.31 52.93 2wk3 n LYS 488 Cb 0.00 -2.14 -0.11 0.00 -0.02 0.00 0.00 35.03 32.76 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 -2.87 2.86 0.00 -0.18 -4.23 -1.26 -4.85 115.64 105.12 2wk3 s THR 489 Ca 0.52 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 2wk3 s THR 489 Cb 0.41 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.89 2wk3 s THR 489 CO 0.13 -0.01 0.66 -0.90 -0.54 0.00 0.00 174.62 173.96 2wk3 n ASP 490 N 0.45 1.16 -4.11 3.99 5.68 -1.17 -4.97 116.55 117.58 2wk3 n ASP 490 Ca -0.13 -1.44 -0.13 0.00 -0.50 0.00 0.00 54.79 52.59 2wk3 n ASP 490 Cb 0.54 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.41 2wk3 n ASP 490 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2wk3 s ARG 491 N -0.44 0.67 -0.05 0.11 0.52 -0.02 -5.02 118.95 114.73 2wk3 s ARG 491 Ca 0.00 -0.96 -0.01 0.00 -0.52 0.00 0.00 55.73 54.24 2wk3 s ARG 491 Cb 0.00 -0.36 0.03 0.00 0.52 0.00 0.00 34.95 35.14 2wk3 s ARG 491 CO 0.00 0.05 0.01 0.99 0.02 0.00 0.00 175.30 176.38 2wk3 s THR 492 N -2.01 0.19 0.30 0.02 2.01 -1.26 -0.41 115.64 114.48 2wk3 s THR 492 Ca -0.02 0.18 -0.27 0.00 0.31 0.00 0.00 61.69 61.88 2wk3 s THR 492 Cb -0.06 -0.35 -0.09 0.00 0.01 0.00 0.00 72.50 72.01 2wk3 s THR 492 CO -0.01 0.20 0.98 -0.70 -0.69 0.00 0.00 174.62 174.40 2wk3 s GLU 493 N 1.65 4.62 -0.04 4.92 -6.30 -0.39 -4.90 118.70 118.26 2wk3 s GLU 493 Ca -0.01 1.47 -0.21 0.00 -2.50 0.00 0.00 54.97 53.72 2wk3 s GLU 493 Cb -0.13 -2.96 -0.31 0.00 0.00 0.00 0.00 34.13 30.73 2wk3 s GLU 493 CO -0.03 0.28 0.92 1.05 0.02 0.00 0.00 175.26 177.50 2wk3 h GLU 494 N 3.46 0.33 -0.28 4.30 4.11 -1.96 -0.90 114.58 123.64 2wk3 h GLU 494 Ca -0.46 -0.55 -0.12 0.00 0.07 0.00 0.00 59.36 58.30 2wk3 h GLU 494 Cb 1.20 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 2wk3 h GLU 494 CO 0.66 1.26 -0.31 -1.49 0.07 0.00 0.00 179.01 179.19 2wk3 h TRP 495 N -0.31 0.67 0.00 2.06 4.06 -2.00 -3.37 115.95 117.06 2wk3 h TRP 495 Ca -0.15 -0.17 -0.11 0.00 2.06 0.00 0.00 58.89 60.52 2wk3 h TRP 495 Cb 1.68 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 29.66 2wk3 h TRP 495 CO 0.19 0.83 -1.43 0.66 -3.56 0.00 0.00 178.44 175.13 2wk3 n TYR 496 N -4.08 0.00 -0.04 0.49 4.02 -1.25 -5.02 117.16 111.28 2wk3 n TYR 496 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2wk3 n TYR 496 Cb 0.46 -0.31 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 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 2.59 0.97 3.68 2.72 0.00 -0.34 -4.92 105.19 109.88 2wk3 n GLY 497 Ca -0.10 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2wk3 n GLY 497 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wk3 s THR 498 N -2.00 3.51 -0.29 2.61 2.01 -1.24 -4.61 115.64 115.62 2wk3 s THR 498 Ca 0.00 0.81 -0.28 0.00 0.31 0.00 0.00 61.69 62.52 2wk3 s THR 498 Cb 0.00 -3.52 0.01 0.00 0.01 0.00 0.00 72.50 69.00 2wk3 s THR 498 CO 0.00 -0.03 1.03 -1.10 -0.69 0.00 0.00 174.62 173.83 2wk3 s GLN 499 N 3.12 4.12 0.29 4.92 -1.52 -1.26 -1.26 119.66 128.07 2wk3 s GLN 499 Ca 0.70 1.11 0.01 0.00 -1.95 0.00 0.00 55.36 55.23 2wk3 s GLN 499 Cb -0.34 -3.71 -0.02 0.00 -0.22 0.00 0.00 33.01 28.72 2wk3 s GLN 499 CO 0.29 -0.79 0.31 1.52 -0.25 0.00 0.00 175.29 176.36 2wk3 s TYR 500 N 3.44 1.31 -0.02 0.91 1.13 0.45 -2.10 117.35 122.48 2wk3 s TYR 500 Ca 0.44 -1.42 0.03 0.00 -1.41 0.00 0.00 57.07 54.70 2wk3 s TYR 500 Cb -0.13 -0.44 -0.00 0.00 -1.10 0.00 0.00 41.96 40.28 2wk3 s TYR 500 CO 0.12 -0.89 -0.11 0.21 -2.51 0.00 0.00 175.55 172.38 2wk3 s LYS 501 N -3.58 1.01 0.06 -3.49 2.20 -0.07 -0.84 119.74 115.03 2wk3 s LYS 501 Ca 0.36 -0.37 0.03 0.00 -0.36 0.00 0.00 55.97 55.63 2wk3 s LYS 501 Cb 0.03 -0.94 -0.04 0.00 -1.51 0.00 0.00 37.83 35.37 2wk3 s LYS 501 CO 0.20 0.17 0.04 -1.14 -0.36 0.00 0.00 175.35 174.27 2wk3 s GLN 502 N 0.00 2.79 -0.20 4.03 0.74 -1.26 -1.39 119.66 124.37 2wk3 s GLN 502 Ca -0.00 -0.69 -0.17 0.00 0.05 0.00 0.00 55.36 54.55 2wk3 s GLN 502 Cb -0.07 -2.68 0.05 0.00 1.10 0.00 0.00 33.01 31.41 2wk3 s GLN 502 CO 0.00 0.58 0.52 -1.21 -0.55 0.00 0.00 175.29 174.63 2wk3 s GLU 503 N -2.12 0.59 0.19 1.67 2.02 -0.70 -5.00 118.70 115.35 2wk3 s GLU 503 Ca 0.26 0.76 -0.32 0.00 0.02 0.00 0.00 54.97 55.69 2wk3 s GLU 503 Cb -0.12 0.26 -0.11 0.00 0.10 0.00 0.00 34.13 34.25 2wk3 s GLU 503 CO 0.18 -0.09 1.73 0.00 0.02 0.00 0.00 175.26 177.10 2wk3 s ALA 504 N 0.47 3.89 -0.00 5.21 0.00 -1.26 -0.70 121.76 129.36 2wk3 s ALA 504 Ca -0.02 1.54 -0.30 0.00 0.00 0.00 0.00 51.96 53.18 2wk3 s ALA 504 Cb -0.04 -3.70 -0.06 0.00 0.00 0.00 0.00 23.12 19.32 2wk3 s ALA 504 CO -0.02 -0.97 1.46 0.42 0.00 0.00 0.00 175.76 176.65 2wk3 s ILE 505 N 1.50 3.62 0.35 0.00 1.01 -0.68 -4.85 121.20 122.15 2wk3 s ILE 505 Ca 0.76 0.98 -0.29 0.00 0.00 0.00 0.00 60.65 62.10 2wk3 s ILE 505 Cb -0.48 -3.63 -0.11 0.00 0.01 0.00 0.00 42.46 38.24 2wk3 s ILE 505 CO 0.33 -0.02 1.53 -2.84 0.00 0.00 0.00 174.94 173.94 2wk3 s PRO 506 N 2.65 4.10 0.48 2.79 0.02 -1.26 -4.81 135.00 138.97 2wk3 s PRO 506 Ca 0.66 2.59 0.26 0.00 0.02 0.00 0.00 61.00 64.53 2wk3 s PRO 506 Cb -0.32 -2.98 1.31 0.00 0.02 0.00 0.00 34.50 32.53 2wk3 s PRO 506 CO 0.27 -0.58 1.84 -0.44 -0.33 0.00 0.00 177.00 177.76 2wk3 h ASP 507 N 3.56 0.20 -0.36 2.53 3.32 -1.99 -1.81 116.42 121.88 2wk3 h ASP 507 Ca -0.50 0.03 0.05 0.00 0.02 0.00 0.00 57.03 56.63 2wk3 h ASP 507 Cb 1.23 -0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.73 2wk3 h ASP 507 CO 0.69 0.06 0.08 -0.33 -1.72 0.00 0.00 179.24 178.01 2wk3 h GLU 508 N 0.19 0.20 -0.39 3.56 3.07 -1.99 -0.22 114.58 118.99 2wk3 h GLU 508 Ca 0.50 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 59.29 2wk3 h GLU 508 Cb 1.65 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.50 2wk3 h GLU 508 CO -0.12 0.13 0.01 0.28 -1.40 0.00 0.00 179.01 177.91 2wk3 h VAL 509 N 0.20 1.26 -0.52 3.13 2.07 -1.70 -1.18 116.25 119.51 2wk3 h VAL 509 Ca 0.17 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 66.77 2wk3 h VAL 509 Cb 0.19 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 2wk3 h VAL 509 CO -0.22 0.33 0.23 0.40 0.02 0.00 0.00 177.57 178.33 2wk3 h ILE 510 N 0.52 0.89 -0.48 4.57 1.08 -1.27 -1.21 117.51 121.60 2wk3 h ILE 510 Ca 0.11 -0.15 -0.10 0.00 -0.39 0.00 0.00 64.86 64.33 2wk3 h ILE 510 Cb 0.46 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 34.60 2wk3 h ILE 510 CO 0.02 0.08 -0.08 0.11 -0.69 0.00 0.00 178.15 177.59 2wk3 h LYS 511 N 0.44 0.91 -0.70 2.37 6.56 -0.83 0.46 116.57 125.78 2wk3 h LYS 511 Ca 0.24 -0.33 0.06 0.00 -1.06 0.00 0.00 60.65 59.56 2wk3 h LYS 511 Cb 0.20 -0.06 -0.04 0.00 -0.57 0.00 0.00 32.23 31.76 2wk3 h LYS 511 CO -0.20 0.98 0.46 0.87 -2.06 0.00 0.00 179.45 179.50 2wk3 h LYS 512 N 0.76 0.71 -0.15 3.15 1.57 -0.97 0.89 116.57 122.53 2wk3 h LYS 512 Ca 0.13 -0.04 -0.22 0.00 -1.87 0.00 0.00 60.65 58.64 2wk3 h LYS 512 Cb 0.62 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.78 2wk3 h LYS 512 CO 0.04 0.47 -0.78 -1.49 -0.57 0.00 0.00 179.45 177.13 2wk3 h TRP 513 N 0.74 1.07 -0.51 -1.35 6.55 0.05 -2.78 115.95 119.72 2wk3 h TRP 513 Ca 0.30 -0.48 0.06 0.00 0.95 0.00 0.00 58.89 59.72 2wk3 h TRP 513 Cb 0.23 -0.16 -0.03 0.00 -0.86 0.00 0.00 29.16 28.34 2wk3 h TRP 513 CO -0.00 1.31 0.34 1.96 -1.05 0.00 0.00 178.44 181.00 2wk3 h GLN 514 N 0.53 0.43 -0.76 0.49 4.20 0.69 -2.47 115.11 118.21 2wk3 h GLN 514 Ca -0.05 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2wk3 h GLN 514 Cb 1.41 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.09 2wk3 h GLN 514 CO 0.16 0.28 0.00 0.09 -0.67 0.00 0.00 178.83 178.69 2wk3 n ASN 515 N -4.47 3.47 -4.70 1.46 3.02 0.23 -4.94 115.26 109.32 2wk3 n ASN 515 Ca 0.07 -2.47 -0.43 0.00 -0.03 0.00 0.00 54.58 51.72 2wk3 n ASN 515 Cb 0.25 -0.58 -0.03 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 0.35 2.28 -3.94 5.41 0.00 -0.93 -5.00 120.51 118.68 2wk3 n ALA 516 Ca 0.15 0.34 -0.26 0.00 0.00 0.00 0.00 53.44 53.66 2wk3 n ALA 516 Cb 0.74 -2.57 -0.01 0.00 0.00 0.00 0.00 19.45 17.61 2wk3 n ALA 516 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wk3 n ASP 517 N 5.24 2.64 -4.77 0.00 5.68 -1.26 -4.86 116.55 119.23 2wk3 n ASP 517 Ca 0.18 -2.72 -0.37 0.00 -0.50 0.00 0.00 54.79 51.38 2wk3 n ASP 517 Cb 0.36 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.34 2wk3 n ASP 517 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2wk3 s LEU 518 N 0.00 4.02 -0.14 -2.12 1.43 -1.26 -4.76 118.68 115.86 2wk3 s LEU 518 Ca 0.25 2.37 0.02 0.00 -1.03 0.00 0.00 54.13 55.74 2wk3 s LEU 518 Cb -0.02 -4.21 0.01 0.00 0.03 0.00 0.00 46.19 42.00 2wk3 s LEU 518 CO 0.16 -0.96 -0.21 0.21 0.23 0.00 0.00 176.35 175.77 2wk3 s ASN 519 N -1.27 3.05 0.00 2.29 3.84 -1.26 -5.03 114.94 116.56 2wk3 s ASN 519 Ca 0.63 -0.59 0.20 0.00 0.21 0.00 0.00 52.86 53.31 2wk3 s ASN 519 Cb -0.30 -1.41 0.95 0.00 -0.55 0.00 0.00 41.25 39.94 2wk3 s ASN 519 CO 0.37 0.08 1.61 0.61 -2.79 0.00 0.00 177.10 176.98 2wk3 n GLY 520 N 4.08 -0.99 0.12 1.21 0.00 -1.26 -2.10 105.19 106.25 2wk3 n GLY 520 Ca -0.20 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.34 0.25 -3.58 1.61 4.01 -1.26 -4.75 118.16 113.09 2wk3 n LYS 521 Ca 0.08 0.31 -0.38 0.00 -0.51 0.00 0.00 58.31 57.81 2wk3 n LYS 521 Cb 0.17 -1.85 -0.11 0.00 -0.51 0.00 0.00 35.03 32.74 2wk3 n LYS 521 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 2wk3 s PHE 522 N -3.20 3.24 -0.01 2.13 2.99 -0.89 -4.54 117.98 117.70 2wk3 s PHE 522 Ca 0.08 0.17 0.04 0.00 0.00 0.00 0.00 56.93 57.22 2wk3 s PHE 522 Cb 0.11 -2.38 -0.01 0.00 0.00 0.00 0.00 43.02 40.74 2wk3 s PHE 522 CO 0.52 -0.12 -0.13 0.15 -0.00 0.00 0.00 175.22 175.63 2wk3 s LYS 523 N 1.65 1.12 0.90 0.44 -0.14 -1.04 -4.94 119.74 117.73 2wk3 s LYS 523 Ca 0.08 -0.48 -0.15 0.00 -1.36 0.00 0.00 55.97 54.06 2wk3 s LYS 523 Cb -0.16 -1.07 -0.04 0.00 -1.68 0.00 0.00 37.83 34.88 2wk3 s LYS 523 CO 0.10 0.28 0.05 1.28 -0.76 0.00 0.00 175.35 176.30 2wk3 n LEU 524 N 2.78 -1.89 -4.68 3.17 4.32 -1.26 -4.28 117.00 115.16 2wk3 n LEU 524 Ca -0.14 0.36 -0.30 0.00 -0.02 0.00 0.00 56.01 55.90 2wk3 n LEU 524 Cb 0.55 -1.06 0.15 0.00 -1.62 0.00 0.00 43.42 41.44 2wk3 n LEU 524 CO 0.24 -4.30 0.66 -2.84 -1.22 0.00 0.00 177.39 169.94 2wk3 s PRO 525 N -2.85 1.15 0.50 3.23 0.02 -1.26 -4.87 135.00 130.92 2wk3 s PRO 525 Ca 0.54 1.20 0.08 0.00 0.02 0.00 0.00 61.00 62.84 2wk3 s PRO 525 Cb -0.24 -1.77 0.04 0.00 0.02 0.00 0.00 34.50 32.55 2wk3 s PRO 525 CO 0.70 -2.43 0.62 0.95 -0.33 0.00 0.00 177.00 176.51 2wk3 s THR 526 N -2.76 2.42 0.11 0.99 -4.23 -1.26 -5.03 115.64 105.89 2wk3 s THR 526 Ca 0.65 -1.11 -0.34 0.00 -1.18 0.00 0.00 61.69 59.70 2wk3 s THR 526 Cb -0.20 -2.53 -0.18 0.00 1.34 0.00 0.00 72.50 70.93 2wk3 s THR 526 CO 0.58 0.00 0.98 2.29 -0.54 0.00 0.00 174.62 177.93 2wk3 n LYS 527 N -1.97 0.44 -2.69 3.99 0.00 -1.26 -4.87 118.16 111.81 2wk3 n LYS 527 Ca 0.10 0.16 -0.42 0.00 -0.00 0.00 0.00 58.31 58.14 2wk3 n LYS 527 Cb 0.61 -1.54 -0.03 0.00 -0.00 0.00 0.00 35.03 34.07 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 -0.23 6.40 0.00 -5.58 3.84 -1.26 -4.91 114.94 113.20 2wk3 s ASN 528 Ca 0.78 -0.09 0.21 0.00 0.21 0.00 0.00 52.86 53.97 2wk3 s ASN 528 Cb -1.03 -2.50 0.94 0.00 -0.55 0.00 0.00 41.25 38.11 2wk3 s ASN 528 CO 0.55 -1.37 1.69 -0.62 -2.79 0.00 0.00 177.10 174.55 2wk3 n GLU 529 N 8.02 0.04 0.05 0.43 -0.58 -1.26 -3.01 120.64 124.33 2wk3 n GLU 529 Ca 0.06 0.13 0.13 0.00 -0.42 0.00 0.00 57.16 57.05 2wk3 n GLU 529 Cb 0.48 -1.50 0.49 0.00 -0.57 0.00 0.00 31.44 30.34 2wk3 n GLU 529 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2wk3 n PHE 530 N -1.47 0.45 -1.68 -0.32 3.01 -1.26 -4.86 117.46 111.32 2wk3 n PHE 530 Ca 0.06 0.13 -0.52 0.00 1.01 0.00 0.00 57.45 58.13 2wk3 n PHE 530 Cb 0.24 -0.70 -0.06 0.00 -0.01 0.00 0.00 39.48 38.96 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 -1.87 0.36 -2.08 4.37 5.41 -1.17 -4.85 119.36 119.54 2wk3 n ILE 531 Ca 0.06 -0.06 -0.32 0.00 1.00 0.00 0.00 62.75 63.43 2wk3 n ILE 531 Cb 0.39 -1.48 -0.00 0.00 -0.71 0.00 0.00 39.64 37.84 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 3.22 3.57 0.00 0.38 0.04 -1.26 -4.92 135.00 136.03 2wk3 s PRO 532 Ca 0.93 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.94 2wk3 s PRO 532 Cb -0.87 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 31.59 2wk3 s PRO 532 CO 0.56 -0.59 0.00 0.25 0.04 0.00 0.00 177.00 177.26 2wk3 n THR 533 N -2.17 0.00 -3.31 1.26 -2.24 -1.26 -5.02 114.28 101.55 2wk3 n THR 533 Ca 0.07 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.41 2wk3 n THR 533 Cb 0.54 0.89 -0.07 0.00 -2.10 0.00 0.00 70.33 69.59 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 6.17 -0.16 3.42 2.47 -1.26 -4.92 114.94 120.66 2wk3 s ASN 534 Ca 0.00 -1.31 0.16 0.00 0.42 0.00 0.00 52.86 52.13 2wk3 s ASN 534 Cb 0.00 -2.22 0.62 0.00 -1.45 0.00 0.00 41.25 38.20 2wk3 s ASN 534 CO 0.00 -0.76 1.53 0.49 -3.72 0.00 0.00 177.10 174.64 2wk3 n PHE 535 N 5.49 1.31 -1.70 0.43 3.01 -1.26 -4.50 117.46 120.25 2wk3 n PHE 535 Ca -0.11 -0.75 -0.43 0.00 1.01 0.00 0.00 57.45 57.17 2wk3 n PHE 535 Cb 0.43 -0.33 -0.03 0.00 -0.01 0.00 0.00 39.48 39.54 2wk3 n PHE 535 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2wk3 n GLU 536 N 0.21 2.68 -2.85 -1.08 2.13 -1.26 -4.69 120.64 115.78 2wk3 n GLU 536 Ca 0.23 0.97 -0.43 0.00 0.66 0.00 0.00 57.16 58.59 2wk3 n GLU 536 Cb 0.93 -2.83 -0.04 0.00 0.27 0.00 0.00 31.44 29.77 2wk3 n GLU 536 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2wk3 s ILE 537 N 1.87 4.40 0.42 6.31 -1.09 -1.26 -4.89 121.20 126.97 2wk3 s ILE 537 Ca 0.79 0.26 -0.26 0.00 -2.23 0.00 0.00 60.65 59.21 2wk3 s ILE 537 Cb -0.53 -4.53 -0.10 0.00 -1.58 0.00 0.00 42.46 35.72 2wk3 s ILE 537 CO 0.36 -1.11 1.30 0.18 -1.23 0.00 0.00 174.94 174.45 2wk3 n LEU 538 N 7.42 4.23 -4.76 2.97 4.77 -1.26 -4.92 117.00 125.45 2wk3 n LEU 538 Ca 0.01 1.12 -0.36 0.00 -0.03 0.00 0.00 56.01 56.75 2wk3 n LEU 538 Cb 0.47 -1.52 0.02 0.00 -2.33 0.00 0.00 43.42 40.07 2wk3 n LEU 538 CO 0.63 -0.54 0.84 -2.84 -1.33 0.00 0.00 177.39 174.16 2wk3 s PRO 539 N -2.24 3.16 0.12 3.23 0.02 -1.26 -4.94 135.00 133.09 2wk3 s PRO 539 Ca 0.61 1.81 -0.31 0.00 0.02 0.00 0.00 61.00 63.13 2wk3 s PRO 539 Cb -0.50 -2.03 -0.10 0.00 0.02 0.00 0.00 34.50 31.90 2wk3 s PRO 539 CO 0.58 -1.05 1.71 -1.17 -0.33 0.00 0.00 177.00 176.74 2wk3 s LEU 540 N -3.84 4.38 0.50 -5.54 2.96 -1.26 -4.97 118.68 110.91 2wk3 s LEU 540 Ca 0.74 2.63 -0.22 0.00 -0.22 0.00 0.00 54.13 57.07 2wk3 s LEU 540 Cb -0.30 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.76 2wk3 s LEU 540 CO 0.33 -0.92 1.21 -1.61 -1.32 0.00 0.00 176.35 174.03 2wk3 s GLU 541 N 2.31 3.50 0.28 1.98 2.02 -1.26 -4.94 118.70 122.59 2wk3 s GLU 541 Ca 0.76 1.86 0.02 0.00 0.02 0.00 0.00 54.97 57.64 2wk3 s GLU 541 Cb -0.43 -2.28 0.61 0.00 0.10 0.00 0.00 34.13 32.13 2wk3 s GLU 541 CO 0.33 -0.79 1.80 1.57 0.02 0.00 0.00 175.26 178.19 2wk3 h LYS 542 N 1.71 0.81 -0.95 1.61 5.09 -2.06 -2.75 116.57 120.03 2wk3 h LYS 542 Ca -0.50 -0.05 -0.65 0.00 0.09 0.00 0.00 60.65 59.54 2wk3 h LYS 542 Cb 1.27 -0.18 -0.31 0.00 0.10 0.00 0.00 32.23 33.10 2wk3 h LYS 542 CO 0.59 0.54 0.56 -0.85 -2.09 0.00 0.00 179.45 178.20 2wk3 n GLU 543 N -4.72 2.84 -3.26 0.07 0.28 -1.26 -4.99 120.64 109.60 2wk3 n GLU 543 Ca 0.20 -3.44 -0.39 0.00 -0.16 0.00 0.00 57.16 53.37 2wk3 n GLU 543 Cb 0.45 -2.28 -0.06 0.00 1.43 0.00 0.00 31.44 30.98 2wk3 n GLU 543 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2wk3 s ALA 544 N -3.77 3.51 0.16 -1.84 0.00 -1.04 -5.08 121.76 113.69 2wk3 s ALA 544 Ca 0.62 -0.03 0.05 0.00 0.00 0.00 0.00 51.96 52.60 2wk3 s ALA 544 Cb 0.49 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 2wk3 s ALA 544 CO 0.00 0.18 0.13 0.95 0.00 0.00 0.00 175.76 177.02 2wk3 s THR 545 N -0.17 4.48 0.34 0.00 -4.23 -1.26 -5.02 115.64 109.77 2wk3 s THR 545 Ca 0.29 -1.06 0.16 0.00 -1.18 0.00 0.00 61.69 59.91 2wk3 s THR 545 Cb -0.18 -3.27 0.13 0.00 1.34 0.00 0.00 72.50 70.52 2wk3 s THR 545 CO 0.16 -0.08 1.84 1.55 -0.54 0.00 0.00 174.62 177.55 2wk3 h PRO 546 N 2.50 0.00 -6.10 3.99 0.13 -1.98 -3.45 132.00 127.10 2wk3 h PRO 546 Ca -0.48 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.11 2wk3 h PRO 546 Cb 1.20 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 2wk3 h PRO 546 CO 0.63 0.34 -0.56 0.71 -0.23 0.00 0.00 178.00 178.89 2wk3 s TYR 547 N -4.07 2.70 0.61 1.56 2.02 -1.26 -5.05 117.35 113.86 2wk3 s TYR 547 Ca -0.02 -0.36 -0.19 0.00 -0.37 0.00 0.00 57.07 56.13 2wk3 s TYR 547 Cb 0.14 -1.57 -0.02 0.00 -0.40 0.00 0.00 41.96 40.11 2wk3 s TYR 547 CO 0.70 0.39 1.28 -2.14 -1.57 0.00 0.00 175.55 174.21 2wk3 s PRO 548 N -3.81 2.77 0.00 -1.71 0.02 -1.26 -4.79 135.00 126.22 2wk3 s PRO 548 Ca 0.36 2.03 0.04 0.00 0.02 0.00 0.00 61.00 63.45 2wk3 s PRO 548 Cb -0.03 -1.94 -0.03 0.00 0.02 0.00 0.00 34.50 32.52 2wk3 s PRO 548 CO 0.22 -1.42 -0.10 0.00 -0.33 0.00 0.00 177.00 175.38 2wk3 s ALA 549 N -1.43 2.90 -0.45 -1.55 0.00 0.13 -4.80 121.76 116.56 2wk3 s ALA 549 Ca 0.79 -1.05 -0.28 0.00 0.00 0.00 0.00 51.96 51.42 2wk3 s ALA 549 Cb -0.36 -1.04 0.03 0.00 0.00 0.00 0.00 23.12 21.75 2wk3 s ALA 549 CO 0.39 0.60 1.09 -1.17 0.00 0.00 0.00 175.76 176.67 2wk3 s LEU 550 N -1.34 3.73 0.00 0.00 2.96 -1.26 -0.84 118.68 121.92 2wk3 s LEU 550 Ca 0.16 0.49 0.05 0.00 -0.22 0.00 0.00 54.13 54.61 2wk3 s LEU 550 Cb -0.11 -3.49 0.10 0.00 0.50 0.00 0.00 46.19 43.19 2wk3 s LEU 550 CO 0.06 -1.17 0.92 2.30 -1.32 0.00 0.00 176.35 177.14 2wk3 n ILE 551 N 6.64 0.56 -3.65 6.68 -5.35 0.58 -4.92 119.36 119.90 2wk3 n ILE 551 Ca 0.11 -0.78 -0.05 0.00 -0.27 0.00 0.00 62.75 61.76 2wk3 n ILE 551 Cb 0.49 0.77 -0.07 0.00 -1.74 0.00 0.00 39.64 39.09 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 -0.75 0.60 -0.46 6.28 2.20 -1.20 -4.95 119.74 121.45 2wk3 s LYS 552 Ca 0.09 1.25 0.05 0.00 -0.36 0.00 0.00 55.97 56.99 2wk3 s LYS 552 Cb 0.05 0.39 0.19 0.00 -1.51 0.00 0.00 37.83 36.95 2wk3 s LYS 552 CO 0.07 -0.18 0.42 -3.47 -0.36 0.00 0.00 175.35 171.83 2wk3 n ASP 553 N 4.79 0.36 -4.78 1.43 2.03 -1.26 -1.10 116.55 118.03 2wk3 n ASP 553 Ca -0.17 -2.61 -0.31 0.00 0.52 0.00 0.00 54.79 52.22 2wk3 n ASP 553 Cb 0.54 -0.60 -0.07 0.00 -0.72 0.00 0.00 41.12 40.27 2wk3 n ASP 553 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2wk3 s THR 554 N -0.52 1.34 0.18 5.18 -4.23 -0.08 -5.01 115.64 112.49 2wk3 s THR 554 Ca 0.32 -1.90 -0.13 0.00 -1.18 0.00 0.00 61.69 58.80 2wk3 s THR 554 Cb 0.06 -2.24 0.08 0.00 1.34 0.00 0.00 72.50 71.74 2wk3 s THR 554 CO -0.17 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 175.75 2wk3 h ALA 555 N 1.27 0.72 0.04 3.99 0.00 -2.00 -3.12 119.26 120.16 2wk3 h ALA 555 Ca -0.43 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.21 2wk3 h ALA 555 Cb 1.31 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2wk3 h ALA 555 CO 0.71 0.17 -1.08 1.98 0.00 0.00 0.00 179.25 181.04 2wk3 h MET 556 N 0.77 0.10 -2.46 0.00 1.85 -1.90 -3.38 114.93 109.91 2wk3 h MET 556 Ca 0.21 -0.16 -0.09 0.00 -0.61 0.00 0.00 59.70 59.05 2wk3 h MET 556 Cb -0.07 0.06 -0.21 0.00 0.43 0.00 0.00 31.60 31.80 2wk3 h MET 556 CO -0.04 1.07 -0.06 -1.54 -0.40 0.00 0.00 176.91 175.94 2wk3 s SER 557 N -6.87 -0.51 -0.18 1.39 1.04 -1.18 -0.62 113.70 106.77 2wk3 s SER 557 Ca -0.01 0.82 0.01 0.00 0.48 0.00 0.00 55.95 57.25 2wk3 s SER 557 Cb 0.09 0.84 0.03 0.00 0.10 0.00 0.00 66.02 67.07 2wk3 s SER 557 CO 0.84 -0.32 -0.17 -0.75 0.98 0.00 0.00 173.24 173.82 2wk3 s LYS 558 N -0.33 2.70 -0.26 4.02 2.20 0.31 -0.90 119.74 127.49 2wk3 s LYS 558 Ca -0.05 -0.83 -0.01 0.00 -0.36 0.00 0.00 55.97 54.71 2wk3 s LYS 558 Cb -0.03 -2.50 0.03 0.00 -1.51 0.00 0.00 37.83 33.82 2wk3 s LYS 558 CO 0.03 -0.27 -0.06 -1.17 -0.36 0.00 0.00 175.35 173.53 2wk3 s LEU 559 N 1.32 3.29 -0.09 5.43 2.96 -0.26 -1.56 118.68 129.77 2wk3 s LEU 559 Ca 0.03 -0.95 -0.09 0.00 -0.22 0.00 0.00 54.13 52.91 2wk3 s LEU 559 Cb -0.14 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 2wk3 s LEU 559 CO -0.11 -0.15 0.20 0.26 -1.32 0.00 0.00 176.35 175.23 2wk3 s TRP 560 N 1.31 3.63 -0.06 5.38 0.52 0.10 -0.31 118.94 129.51 2wk3 s TRP 560 Ca -0.01 0.64 -0.06 0.00 0.02 0.00 0.00 56.10 56.69 2wk3 s TRP 560 Cb -0.17 -2.02 0.02 0.00 -1.15 0.00 0.00 33.47 30.14 2wk3 s TRP 560 CO -0.04 0.72 0.17 0.12 0.02 0.00 0.00 176.95 177.93 2wk3 s PHE 561 N -1.04 -0.17 -0.16 -1.98 5.36 -0.02 -1.31 117.98 118.66 2wk3 s PHE 561 Ca 0.17 0.41 -0.07 0.00 -0.96 0.00 0.00 56.93 56.49 2wk3 s PHE 561 Cb -0.13 0.06 0.07 0.00 -0.34 0.00 0.00 43.02 42.67 2wk3 s PHE 561 CO 0.06 -0.10 0.35 0.21 -1.46 0.00 0.00 175.22 174.28 2wk3 s LYS 562 N -0.01 0.27 -0.01 10.12 2.20 -0.79 0.19 119.74 131.72 2wk3 s LYS 562 Ca -0.01 0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 56.12 2wk3 s LYS 562 Cb -0.02 0.07 -0.03 0.00 -1.51 0.00 0.00 37.83 36.35 2wk3 s LYS 562 CO 0.00 -0.22 1.02 -1.14 -0.36 0.00 0.00 175.35 174.65 2wk3 s GLN 563 N 2.06 4.51 -0.19 4.03 0.74 -1.26 -2.28 119.66 127.27 2wk3 s GLN 563 Ca -0.04 1.47 -0.39 0.00 0.05 0.00 0.00 55.36 56.45 2wk3 s GLN 563 Cb -0.11 -3.46 -0.15 0.00 1.10 0.00 0.00 33.01 30.39 2wk3 s GLN 563 CO -0.11 -0.14 1.71 -3.47 -0.55 0.00 0.00 175.29 172.73 2wk3 n ASP 564 N 4.15 2.48 -0.55 6.67 2.03 0.31 -4.85 116.55 126.80 2wk3 n ASP 564 Ca 0.07 1.06 0.07 0.00 0.52 0.00 0.00 54.79 56.52 2wk3 n ASP 564 Cb 0.50 -1.19 0.20 0.00 -0.72 0.00 0.00 41.12 39.90 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 5.16 2.81 0.00 1.67 3.85 -1.26 -4.80 116.55 123.98 2wk3 n ASP 565 Ca 0.25 -3.25 0.00 0.00 -0.71 0.00 0.00 54.79 51.08 2wk3 n ASP 565 Cb 0.17 -0.51 0.00 0.00 -1.35 0.00 0.00 41.12 39.43 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 -1.06 0.00 -0.10 0.11 5.02 -1.26 -4.99 118.16 115.89 2wk3 n LYS 566 Ca 0.20 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.38 2wk3 n LYS 566 Cb 0.78 -0.28 -0.13 0.00 -0.02 0.00 0.00 35.03 35.39 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 -2.40 0.00 -3.18 2.13 3.01 -1.26 -5.01 117.46 110.75 2wk3 n PHE 567 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.23 2wk3 n PHE 567 Cb 0.14 -0.89 0.05 0.00 -0.01 0.00 0.00 39.48 38.77 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 -2.85 -2.23 -4.01 1.38 3.01 -1.26 -5.01 117.46 106.49 2wk3 n PHE 568 Ca -0.33 0.66 -0.27 0.00 1.01 0.00 0.00 57.45 58.52 2wk3 n PHE 568 Cb 1.03 -4.67 -0.04 0.00 -0.01 0.00 0.00 39.48 35.79 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 -6.87 4.06 -1.43 4.37 1.43 -1.26 -4.97 118.68 114.00 2wk3 s LEU 569 Ca 0.38 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.40 2wk3 s LEU 569 Cb -0.17 -2.66 -0.06 0.00 0.03 0.00 0.00 46.19 43.33 2wk3 s LEU 569 CO 0.47 0.08 2.62 -0.81 0.23 0.00 0.00 176.35 178.94 2wk3 n PRO 570 N -0.32 3.15 -4.27 1.29 -0.04 -1.26 -4.61 135.00 128.93 2wk3 n PRO 570 Ca -0.08 -2.14 -0.15 0.00 -0.04 0.00 0.00 63.50 61.10 2wk3 n PRO 570 Cb 0.54 -2.85 -0.10 0.00 -0.04 0.00 0.00 33.50 31.05 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 2.73 1.13 0.05 0.54 1.02 -1.26 -2.36 119.74 121.59 2wk3 s LYS 571 Ca 0.60 -1.50 -0.10 0.00 0.02 0.00 0.00 55.97 54.98 2wk3 s LYS 571 Cb 0.16 -0.66 0.01 0.00 -0.52 0.00 0.00 37.83 36.81 2wk3 s LYS 571 CO -0.05 0.05 0.22 0.00 -0.92 0.00 0.00 175.35 174.65 2wk3 s ALA 572 N -3.32 -0.42 -0.13 5.17 0.00 0.34 -1.14 121.76 122.25 2wk3 s ALA 572 Ca 0.19 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.92 2wk3 s ALA 572 Cb 0.03 0.31 -0.00 0.00 0.00 0.00 0.00 23.12 23.46 2wk3 s ALA 572 CO 0.03 -0.39 -0.17 -0.80 0.00 0.00 0.00 175.76 174.42 2wk3 s ASN 573 N -2.16 3.58 -0.29 0.00 0.01 0.26 -2.47 114.94 113.87 2wk3 s ASN 573 Ca -0.04 -0.46 0.02 0.00 -0.71 0.00 0.00 52.86 51.67 2wk3 s ASN 573 Cb -0.00 -1.53 0.07 0.00 0.41 0.00 0.00 41.25 40.19 2wk3 s ASN 573 CO -0.05 0.13 -0.05 -0.76 -1.51 0.00 0.00 177.10 174.87 2wk3 s LEU 574 N 0.54 3.83 -0.14 0.60 1.43 -0.29 -1.46 118.68 123.19 2wk3 s LEU 574 Ca -0.11 -1.51 -0.02 0.00 -1.03 0.00 0.00 54.13 51.46 2wk3 s LEU 574 Cb -0.16 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 2wk3 s LEU 574 CO 0.04 -0.25 -0.09 0.20 0.23 0.00 0.00 176.35 176.48 2wk3 s ASN 575 N 1.14 4.36 -0.05 2.29 0.02 -0.02 -1.15 114.94 121.54 2wk3 s ASN 575 Ca -0.04 -0.24 0.02 0.00 -1.02 0.00 0.00 52.86 51.58 2wk3 s ASN 575 Cb -0.20 -1.68 0.02 0.00 0.02 0.00 0.00 41.25 39.41 2wk3 s ASN 575 CO -0.05 0.17 -0.08 -0.36 0.02 0.00 0.00 177.10 176.81 2wk3 s PHE 576 N 0.34 1.02 -0.20 2.20 0.40 0.12 -0.96 117.98 120.90 2wk3 s PHE 576 Ca -0.08 -0.33 -0.06 0.00 -0.60 0.00 0.00 56.93 55.86 2wk3 s PHE 576 Cb -0.15 -0.82 -0.03 0.00 0.51 0.00 0.00 43.02 42.53 2wk3 s PHE 576 CO 0.04 -0.22 0.01 -1.21 0.70 0.00 0.00 175.22 174.55 2wk3 s GLU 577 N 0.79 3.68 -0.37 0.44 2.02 0.48 -1.27 118.70 124.47 2wk3 s GLU 577 Ca -0.13 -0.49 -0.13 0.00 0.02 0.00 0.00 54.97 54.25 2wk3 s GLU 577 Cb -0.15 -3.11 0.01 0.00 0.10 0.00 0.00 34.13 30.98 2wk3 s GLU 577 CO 0.02 0.05 0.24 -0.06 0.02 0.00 0.00 175.26 175.52 2wk3 s PHE 578 N 0.93 3.23 -0.08 1.61 0.40 -0.45 -0.99 117.98 122.62 2wk3 s PHE 578 Ca 0.02 -0.65 -0.21 0.00 -0.60 0.00 0.00 56.93 55.49 2wk3 s PHE 578 Cb -0.14 -2.49 -0.04 0.00 0.51 0.00 0.00 43.02 40.85 2wk3 s PHE 578 CO 0.02 -0.55 0.58 -0.06 0.70 0.00 0.00 175.22 175.91 2wk3 s PHE 579 N 1.64 3.56 -0.09 0.36 0.40 0.70 -1.28 117.98 123.27 2wk3 s PHE 579 Ca 0.04 1.07 -0.06 0.00 -0.60 0.00 0.00 56.93 57.38 2wk3 s PHE 579 Cb -0.19 -2.66 0.03 0.00 0.51 0.00 0.00 43.02 40.72 2wk3 s PHE 579 CO 0.08 0.17 0.22 0.45 0.70 0.00 0.00 175.22 176.84 2wk3 s SER 580 N 0.56 -0.23 0.35 1.36 0.15 -0.09 -2.62 113.70 113.18 2wk3 s SER 580 Ca 0.31 0.46 0.27 0.00 0.70 0.00 0.00 55.95 57.68 2wk3 s SER 580 Cb -0.17 0.40 1.10 0.00 -1.71 0.00 0.00 66.02 65.64 2wk3 s SER 580 CO 0.14 -0.12 1.80 1.55 1.20 0.00 0.00 173.24 177.81 2wk3 h PRO 581 N 6.54 0.00 -0.01 5.44 0.13 -1.87 -2.96 132.00 139.27 2wk3 h PRO 581 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2wk3 h PRO 581 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2wk3 h PRO 581 CO 0.38 0.00 -0.04 1.19 -0.23 0.00 0.00 178.00 179.30 2wk3 n PHE 582 N -2.50 0.00 0.21 1.56 3.01 -1.26 -2.46 117.46 116.02 2wk3 n PHE 582 Ca 0.02 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.58 2wk3 n PHE 582 Cb 0.26 -0.07 0.25 0.00 -0.01 0.00 0.00 39.48 39.92 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 3.97 0.93 0.00 4.37 0.00 -1.84 -3.38 119.26 123.31 2wk3 h ALA 583 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2wk3 h ALA 583 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2wk3 h ALA 583 CO 0.00 0.19 -0.00 0.98 0.00 0.00 0.00 179.25 180.41 2wk3 n TYR 584 N -3.17 0.00 -0.33 0.00 4.19 -1.23 -3.23 117.16 113.40 2wk3 n TYR 584 Ca 0.02 0.00 0.13 0.00 3.31 0.00 0.00 57.90 61.37 2wk3 n TYR 584 Cb 0.53 0.01 0.35 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 3.02 0.74 -3.72 2.97 3.04 -1.66 -3.44 116.25 117.21 2wk3 h VAL 585 Ca 0.00 -0.25 -0.12 0.00 -1.01 0.00 0.00 66.70 65.32 2wk3 h VAL 585 Cb 1.00 -0.05 -0.07 0.00 -2.01 0.00 0.00 31.29 30.16 2wk3 h VAL 585 CO 0.00 0.13 -0.09 1.51 -1.01 0.00 0.00 177.57 178.11 2wk3 s ASP 586 N -5.52 0.25 0.26 3.17 1.47 -1.26 -5.03 116.67 110.01 2wk3 s ASP 586 Ca -0.11 -1.14 -0.01 0.00 1.18 0.00 0.00 52.55 52.47 2wk3 s ASP 586 Cb 0.24 0.65 0.53 0.00 -0.34 0.00 0.00 42.92 43.99 2wk3 s ASP 586 CO 0.80 -1.27 1.78 -0.65 0.68 0.00 0.00 175.17 176.51 2wk3 h PRO 587 N 2.17 0.69 -0.81 2.11 0.11 -1.92 -0.17 132.00 134.19 2wk3 h PRO 587 Ca -0.28 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.78 2wk3 h PRO 587 Cb 1.25 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 2wk3 h PRO 587 CO 0.37 0.45 0.44 1.25 -0.21 0.00 0.00 178.00 180.30 2wk3 h LEU 588 N 0.71 1.02 -0.54 2.35 5.85 -1.90 -1.68 115.31 121.11 2wk3 h LEU 588 Ca 0.46 -0.10 -0.16 0.00 0.84 0.00 0.00 57.88 58.92 2wk3 h LEU 588 Cb 0.60 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2wk3 h LEU 588 CO -0.33 0.83 -0.67 0.45 -0.34 0.00 0.00 178.44 178.38 2wk3 h HIS 589 N 1.13 0.37 -0.04 1.25 3.86 -1.48 -2.27 115.15 117.97 2wk3 h HIS 589 Ca 0.28 -0.16 0.02 0.00 -1.16 0.00 0.00 60.37 59.36 2wk3 h HIS 589 Cb 0.04 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 2wk3 h HIS 589 CO 0.00 0.86 -0.09 1.03 0.86 0.00 0.00 177.93 180.60 2wk3 h SER 590 N 0.20 -0.27 -0.32 2.45 0.87 -0.67 0.11 113.55 115.92 2wk3 h SER 590 Ca -0.02 0.05 0.09 0.00 -1.23 0.00 0.00 61.79 60.68 2wk3 h SER 590 Cb 1.21 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.28 2wk3 h SER 590 CO 0.11 -0.13 0.25 0.78 -0.53 0.00 0.00 176.83 177.31 2wk3 h ASN 591 N -0.14 0.00 0.21 6.23 2.35 -1.10 -2.35 115.58 120.79 2wk3 h ASN 591 Ca 0.05 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.46 2wk3 h ASN 591 Cb 0.20 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.59 2wk3 h ASN 591 CO -0.12 0.00 -1.63 0.24 -1.65 0.00 0.00 177.43 174.27 2wk3 h MET 592 N 0.00 0.44 -0.93 0.81 2.86 -0.65 -0.51 114.93 116.95 2wk3 h MET 592 Ca 0.15 -0.75 0.16 0.00 -2.06 0.00 0.00 59.70 57.20 2wk3 h MET 592 Cb 0.66 0.28 -0.10 0.00 0.06 0.00 0.00 31.60 32.50 2wk3 h MET 592 CO -0.00 1.36 0.52 0.00 1.06 0.00 0.00 176.91 179.85 2wk3 h ALA 593 N 0.12 1.46 0.05 6.32 0.00 -0.51 0.24 119.26 126.93 2wk3 h ALA 593 Ca -0.31 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2wk3 h ALA 593 Cb 2.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.84 2wk3 h ALA 593 CO 0.21 -0.05 -0.03 -0.92 0.00 0.00 0.00 179.25 178.46 2wk3 h TYR 594 N 0.71 -0.06 -0.34 0.00 3.20 -1.30 -1.76 116.97 117.41 2wk3 h TYR 594 Ca 0.51 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.42 2wk3 h TYR 594 Cb 0.74 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.00 2wk3 h TYR 594 CO -0.05 0.56 0.11 -0.07 -1.64 0.00 0.00 178.16 177.07 2wk3 h LEU 595 N -0.82 0.11 -0.47 2.82 4.07 -0.76 0.20 115.31 120.46 2wk3 h LEU 595 Ca -0.01 0.04 0.09 0.00 0.08 0.00 0.00 57.88 58.09 2wk3 h LEU 595 Cb 0.65 0.03 -0.09 0.00 1.08 0.00 0.00 40.66 42.33 2wk3 h LEU 595 CO 0.01 0.10 -0.12 0.22 -1.08 0.00 0.00 178.44 177.57 2wk3 h TYR 596 N 0.25 -0.27 -0.20 1.13 3.20 -0.46 0.19 116.97 120.82 2wk3 h TYR 596 Ca 0.15 0.04 -0.21 0.00 3.14 0.00 0.00 58.73 61.86 2wk3 h TYR 596 Cb 0.13 0.19 0.01 0.00 1.54 0.00 0.00 36.73 38.60 2wk3 h TYR 596 CO -0.15 -0.21 -0.70 -0.07 -1.64 0.00 0.00 178.16 175.39 2wk3 h LEU 597 N -0.01 0.94 -0.74 2.82 4.07 -0.26 -0.56 115.31 121.57 2wk3 h LEU 597 Ca 0.23 -0.58 0.05 0.00 0.08 0.00 0.00 57.88 57.66 2wk3 h LEU 597 Cb 0.35 -0.27 -0.05 0.00 1.08 0.00 0.00 40.66 41.77 2wk3 h LEU 597 CO -0.49 1.37 0.45 -0.33 -1.08 0.00 0.00 178.44 178.36 2wk3 h GLU 598 N 0.58 0.82 -0.83 1.13 4.39 -0.13 -1.25 114.58 119.28 2wk3 h GLU 598 Ca -0.03 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2wk3 h GLU 598 Cb 1.32 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.75 2wk3 h GLU 598 CO 0.15 0.54 0.45 -0.07 -1.16 0.00 0.00 179.01 178.91 2wk3 h LEU 599 N 0.84 1.03 -0.10 1.33 3.38 -0.20 -0.14 115.31 121.45 2wk3 h LEU 599 Ca 0.32 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 2wk3 h LEU 599 Cb 0.12 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2wk3 h LEU 599 CO -0.15 0.83 0.06 0.25 0.09 0.00 0.00 178.44 179.53 2wk3 h LEU 600 N 1.16 0.12 -1.06 1.67 6.46 -0.57 -1.47 115.31 121.63 2wk3 h LEU 600 Ca 0.29 -0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 58.00 2wk3 h LEU 600 Cb 0.04 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 39.89 2wk3 h LEU 600 CO -0.05 0.13 0.54 0.11 -0.62 0.00 0.00 178.44 178.55 2wk3 h LYS 601 N 0.10 1.18 -0.24 1.25 1.57 -1.00 0.46 116.57 119.91 2wk3 h LYS 601 Ca 0.04 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2wk3 h LYS 601 Cb 0.03 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 2wk3 h LYS 601 CO -0.01 0.82 -0.03 0.22 -0.57 0.00 0.00 179.45 179.89 2wk3 h ASP 602 N 1.21 0.33 0.51 0.86 1.82 -0.81 -2.05 116.42 118.29 2wk3 h ASP 602 Ca 0.32 -0.05 -0.30 0.00 -0.39 0.00 0.00 57.03 56.61 2wk3 h ASP 602 Cb -0.07 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 39.86 2wk3 h ASP 602 CO -0.06 0.41 -1.42 -1.28 -1.61 0.00 0.00 179.24 175.28 2wk3 h SER 603 N 0.34 0.43 0.68 2.28 0.87 -0.16 -3.15 113.55 114.86 2wk3 h SER 603 Ca 0.08 -0.53 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2wk3 h SER 603 Cb 0.28 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2wk3 h SER 603 CO 0.01 1.43 0.00 0.18 -0.53 0.00 0.00 176.83 177.92 2wk3 n LEU 604 N -3.50 0.00 0.18 2.23 4.77 0.04 -4.44 117.00 116.28 2wk3 n LEU 604 Ca -0.13 0.41 -0.14 0.00 -0.03 0.00 0.00 56.01 56.12 2wk3 n LEU 604 Cb 1.04 -0.41 -0.08 0.00 -2.33 0.00 0.00 43.42 41.64 2wk3 n LEU 604 CO 0.52 -0.07 0.66 -1.13 -1.33 0.00 0.00 177.39 176.04 2wk3 h ASN 605 N 0.00 -0.37 -0.87 -1.43 -0.73 -1.32 0.14 115.58 111.00 2wk3 h ASN 605 Ca 0.00 -0.09 0.22 0.00 1.87 0.00 0.00 56.30 58.31 2wk3 h ASN 605 Cb 0.34 0.10 -0.13 0.00 0.27 0.00 0.00 38.32 38.89 2wk3 h ASN 605 CO 0.00 -0.13 0.29 -0.33 -0.37 0.00 0.00 177.43 176.89 2wk3 h GLU 606 N -0.60 0.27 0.08 6.67 5.08 -1.78 -1.49 114.58 122.81 2wk3 h GLU 606 Ca -0.04 -0.02 -0.25 0.00 -1.00 0.00 0.00 59.36 58.05 2wk3 h GLU 606 Cb 0.44 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2wk3 h GLU 606 CO 0.07 0.18 -1.15 -0.92 -1.00 0.00 0.00 179.01 176.19 2wk3 h TYR 607 N 0.28 0.31 0.00 4.33 3.20 -1.69 -3.27 116.97 120.13 2wk3 h TYR 607 Ca 0.55 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 62.19 2wk3 h TYR 607 Cb 1.07 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.33 2wk3 h TYR 607 CO -0.22 1.17 0.00 0.00 -1.64 0.00 0.00 178.16 177.48 2wk3 h ALA 608 N 0.74 1.00 -0.52 1.82 0.00 0.23 -3.32 119.26 119.21 2wk3 h ALA 608 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2wk3 h ALA 608 Cb 1.89 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 2wk3 h ALA 608 CO 0.18 0.00 0.18 -0.92 0.00 0.00 0.00 179.25 178.68 2wk3 h TYR 609 N 0.00 0.82 -0.61 0.00 3.20 -1.38 0.27 116.97 119.28 2wk3 h TYR 609 Ca 0.00 -0.08 0.05 0.00 3.14 0.00 0.00 58.73 61.84 2wk3 h TYR 609 Cb 0.79 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.77 2wk3 h TYR 609 CO 0.00 0.70 0.33 0.00 -1.64 0.00 0.00 178.16 177.55 2wk3 h ALA 610 N 1.03 0.80 -0.85 1.82 0.00 -1.77 -0.93 119.26 119.36 2wk3 h ALA 610 Ca 0.17 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2wk3 h ALA 610 Cb 0.25 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2wk3 h ALA 610 CO -0.01 -0.00 0.56 0.00 0.00 0.00 0.00 179.25 179.81 2wk3 h ALA 611 N 1.32 1.45 -0.56 0.00 0.00 -1.25 -1.45 119.26 118.76 2wk3 h ALA 611 Ca 0.27 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 2wk3 h ALA 611 Cb 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2wk3 h ALA 611 CO -0.17 0.48 -0.03 1.49 0.00 0.00 0.00 179.25 181.01 2wk3 h GLU 612 N 1.09 1.02 0.00 0.00 4.81 0.25 -1.15 114.58 120.59 2wk3 h GLU 612 Ca 0.33 -0.34 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 2wk3 h GLU 612 Cb -0.01 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2wk3 h GLU 612 CO -0.09 1.03 -0.29 -0.07 -0.73 0.00 0.00 179.01 178.85 2wk3 h LEU 613 N 0.90 0.00 -1.91 1.64 3.38 -0.80 -1.20 115.31 117.32 2wk3 h LEU 613 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2wk3 h LEU 613 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2wk3 h LEU 613 CO 0.04 0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.86 2wk3 n ALA 614 N -2.39 2.92 -2.14 1.53 0.00 -0.53 -4.88 120.51 115.02 2wk3 n ALA 614 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2wk3 n ALA 614 Cb 0.37 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 0.55 0.56 2.70 0.00 0.00 -0.45 -4.64 105.19 103.91 2wk3 n GLY 615 Ca 0.13 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.30 0.91 0.34 0.99 0.20 -0.63 -2.58 118.68 117.60 2wk3 s LEU 616 Ca 0.00 -0.71 0.03 0.00 0.69 0.00 0.00 54.13 54.15 2wk3 s LEU 616 Cb 0.00 -0.49 -0.04 0.00 -0.43 0.00 0.00 46.19 45.24 2wk3 s LEU 616 CO 0.00 -0.31 0.14 -0.94 -0.29 0.00 0.00 176.35 174.95 2wk3 s SER 617 N 1.94 2.06 0.01 3.68 1.04 0.13 -2.97 113.70 119.58 2wk3 s SER 617 Ca 0.00 -1.57 -0.12 0.00 0.48 0.00 0.00 55.95 54.74 2wk3 s SER 617 Cb -0.16 0.36 0.02 0.00 0.10 0.00 0.00 66.02 66.33 2wk3 s SER 617 CO -0.08 -0.86 0.26 -0.72 0.98 0.00 0.00 173.24 172.82 2wk3 s TYR 618 N -3.43 -0.09 -0.07 5.02 -0.85 -1.26 -1.18 117.35 115.49 2wk3 s TYR 618 Ca 0.32 0.05 0.02 0.00 -0.52 0.00 0.00 57.07 56.94 2wk3 s TYR 618 Cb 0.05 0.05 0.01 0.00 0.38 0.00 0.00 41.96 42.45 2wk3 s TYR 618 CO 0.16 -0.40 -0.14 0.34 -1.52 0.00 0.00 175.55 173.99 2wk3 s ASP 619 N -1.61 2.02 -0.16 -0.18 2.15 0.78 -4.97 116.67 114.69 2wk3 s ASP 619 Ca -0.11 -0.34 -0.04 0.00 0.43 0.00 0.00 52.55 52.49 2wk3 s ASP 619 Cb -0.04 -0.93 0.07 0.00 -0.30 0.00 0.00 42.92 41.72 2wk3 s ASP 619 CO 0.01 0.05 0.14 -0.22 -0.17 0.00 0.00 175.17 174.98 2wk3 s LEU 620 N 0.65 0.12 0.05 -1.34 2.96 -1.26 -1.06 118.68 118.81 2wk3 s LEU 620 Ca -0.15 -0.31 -0.08 0.00 -0.22 0.00 0.00 54.13 53.38 2wk3 s LEU 620 Cb -0.16 0.04 -0.00 0.00 0.50 0.00 0.00 46.19 46.57 2wk3 s LEU 620 CO 0.04 -0.32 0.15 0.00 -1.32 0.00 0.00 176.35 174.90 2wk3 s GLN 621 N 2.22 0.71 0.27 1.98 -2.07 -0.21 -4.91 119.66 117.65 2wk3 s GLN 621 Ca 0.04 -0.81 -0.23 0.00 -1.82 0.00 0.00 55.36 52.54 2wk3 s GLN 621 Cb -0.15 0.28 -0.09 0.00 -1.09 0.00 0.00 33.01 31.96 2wk3 s GLN 621 CO -0.09 -0.20 0.84 0.54 -1.32 0.00 0.00 175.29 175.06 2wk3 s ASN 622 N -2.40 7.23 0.42 12.60 6.03 -1.26 -0.17 114.94 137.38 2wk3 s ASN 622 Ca -0.01 1.65 0.03 0.00 -1.03 0.00 0.00 52.86 53.50 2wk3 s ASN 622 Cb 0.01 -2.51 -0.01 0.00 -3.03 0.00 0.00 41.25 35.71 2wk3 s ASN 622 CO -0.07 -0.01 0.11 0.35 -2.03 0.00 0.00 177.10 175.46 2wk3 n THR 623 N 0.69 0.00 1.37 0.54 -2.24 -1.22 -4.87 114.28 108.55 2wk3 n THR 623 Ca -0.00 -2.33 0.11 0.00 -2.27 0.00 0.00 64.05 59.56 2wk3 n THR 623 Cb 0.50 0.76 0.66 0.00 -2.10 0.00 0.00 70.33 70.16 2wk3 n THR 623 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2wk3 n ILE 624 N -0.97 0.05 -0.02 2.28 -5.35 -1.26 -2.65 119.36 111.45 2wk3 n ILE 624 Ca -0.09 0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 2wk3 n ILE 624 Cb 0.60 -0.65 0.00 0.00 -1.74 0.00 0.00 39.64 37.85 2wk3 n ILE 624 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2wk3 n TYR 625 N -1.05 0.00 0.00 4.28 0.53 -1.26 -4.62 117.16 115.04 2wk3 n TYR 625 Ca 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.04 2wk3 n TYR 625 Cb 0.09 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.40 2wk3 n TYR 625 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2wk3 n GLY 626 N 0.47 1.31 3.86 2.72 0.00 -1.08 -0.92 105.19 111.56 2wk3 n GLY 626 Ca 0.00 -2.10 -0.31 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.64 3.85 -0.05 1.61 -1.94 -0.41 -3.44 119.30 117.29 2wk3 s MET 627 Ca 0.00 0.65 0.02 0.00 -1.71 0.00 0.00 55.69 54.64 2wk3 s MET 627 Cb 0.00 -2.31 0.01 0.00 2.01 0.00 0.00 34.83 34.55 2wk3 s MET 627 CO 0.00 -0.10 -0.09 -0.47 -0.01 0.00 0.00 175.02 174.36 2wk3 s TYR 628 N -2.43 1.07 -0.05 -0.03 5.04 0.76 -1.35 117.35 120.36 2wk3 s TYR 628 Ca 0.54 -0.34 0.03 0.00 -2.44 0.00 0.00 57.07 54.86 2wk3 s TYR 628 Cb -0.10 -0.83 0.01 0.00 0.35 0.00 0.00 41.96 41.39 2wk3 s TYR 628 CO 0.30 -0.20 -0.13 -1.17 -1.34 0.00 0.00 175.55 173.01 2wk3 s LEU 629 N 0.66 1.76 -0.02 6.97 0.20 -0.39 -1.05 118.68 126.80 2wk3 s LEU 629 Ca -0.11 -0.30 0.01 0.00 0.69 0.00 0.00 54.13 54.42 2wk3 s LEU 629 Cb -0.14 -0.82 0.02 0.00 -0.43 0.00 0.00 46.19 44.82 2wk3 s LEU 629 CO 0.02 0.08 -0.03 -0.55 -0.29 0.00 0.00 176.35 175.58 2wk3 s SER 630 N 0.38 0.57 -0.11 3.68 0.15 -0.22 0.13 113.70 118.27 2wk3 s SER 630 Ca -0.09 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.49 2wk3 s SER 630 Cb -0.13 -0.22 0.02 0.00 -1.71 0.00 0.00 66.02 63.98 2wk3 s SER 630 CO 0.03 -0.04 -0.10 -0.69 1.20 0.00 0.00 173.24 173.64 2wk3 s VAL 631 N 0.61 1.16 0.08 4.45 1.01 -0.30 -0.15 120.40 127.25 2wk3 s VAL 631 Ca -0.07 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.59 2wk3 s VAL 631 Cb -0.10 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 2wk3 s VAL 631 CO -0.01 0.39 -0.16 -0.54 0.00 0.00 0.00 175.10 174.78 2wk3 s LYS 632 N 1.52 0.90 0.00 2.72 1.02 -0.32 -1.14 119.74 124.44 2wk3 s LYS 632 Ca 0.02 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 55.00 2wk3 s LYS 632 Cb -0.13 -0.96 0.00 0.00 -0.52 0.00 0.00 37.83 36.22 2wk3 s LYS 632 CO -0.07 0.22 0.00 0.41 -0.92 0.00 0.00 175.35 174.99 2wk3 n GLY 633 N 1.21 0.59 3.70 -3.33 0.00 -1.03 0.19 105.19 106.52 2wk3 n GLY 633 Ca -0.21 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.19 2.82 0.31 1.61 2.02 -1.07 -0.51 117.35 120.35 2wk3 s TYR 634 Ca 0.00 0.57 0.15 0.00 -0.37 0.00 0.00 57.07 57.42 2wk3 s TYR 634 Cb 0.00 -3.88 0.71 0.00 -0.40 0.00 0.00 41.96 38.39 2wk3 s TYR 634 CO 0.00 -3.35 1.79 -2.95 -1.57 0.00 0.00 175.55 169.47 2wk3 h ASN 635 N 7.50 0.00 -0.32 2.29 -1.07 -1.76 -3.34 115.58 118.88 2wk3 h ASN 635 Ca -0.42 0.00 0.03 0.00 0.07 0.00 0.00 56.30 55.98 2wk3 h ASN 635 Cb 1.20 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.41 2wk3 h ASN 635 CO 0.91 0.40 -0.19 -0.67 0.07 0.00 0.00 177.43 177.95 2wk3 n ASP 636 N -3.88 -0.34 -1.23 6.14 4.64 -1.26 -1.51 116.55 119.10 2wk3 n ASP 636 Ca -0.01 0.94 0.09 0.00 -1.38 0.00 0.00 54.79 54.43 2wk3 n ASP 636 Cb 0.45 -0.26 0.29 0.00 -1.04 0.00 0.00 41.12 40.57 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 -3.71 3.09 0.03 -0.67 5.02 -1.26 -4.64 118.16 116.04 2wk3 n LYS 637 Ca 0.01 -2.60 -0.12 0.00 -2.02 0.00 0.00 58.31 53.57 2wk3 n LYS 637 Cb 0.08 -1.62 -0.07 0.00 -0.02 0.00 0.00 35.03 33.41 2wk3 n LYS 637 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2wk3 h GLN 638 N 3.55 0.02 -1.02 1.97 4.15 -1.38 -1.83 115.11 120.57 2wk3 h GLN 638 Ca 0.00 -0.00 0.26 0.00 0.77 0.00 0.00 58.65 59.68 2wk3 h GLN 638 Cb 1.10 -0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.71 2wk3 h GLN 638 CO 0.08 0.03 0.68 -1.35 -1.93 0.00 0.00 178.83 176.34 2wk3 h PRO 639 N -0.00 0.32 -0.59 -2.39 0.11 -1.82 -1.54 132.00 126.08 2wk3 h PRO 639 Ca 0.00 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 2wk3 h PRO 639 Cb 0.02 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 2wk3 h PRO 639 CO -0.00 0.21 0.11 0.82 -0.21 0.00 0.00 178.00 178.93 2wk3 h ILE 640 N 0.33 1.26 -0.08 4.15 2.04 -1.67 -0.63 117.51 122.91 2wk3 h ILE 640 Ca 0.56 -0.97 -0.12 0.00 1.00 0.00 0.00 64.86 65.32 2wk3 h ILE 640 Cb 1.55 0.74 0.01 0.00 -0.74 0.00 0.00 36.82 38.37 2wk3 h ILE 640 CO -0.22 0.36 -0.43 0.25 0.00 0.00 0.00 178.15 178.10 2wk3 h LEU 641 N 0.88 0.52 -0.43 1.44 5.85 -1.28 -2.46 115.31 119.83 2wk3 h LEU 641 Ca 0.18 -0.65 0.09 0.00 0.84 0.00 0.00 57.88 58.34 2wk3 h LEU 641 Cb 0.41 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.19 2wk3 h LEU 641 CO 0.01 1.09 -0.30 0.25 -0.34 0.00 0.00 178.44 179.15 2wk3 h LEU 642 N -0.01 -1.01 -0.07 2.25 6.46 -1.37 0.47 115.31 122.03 2wk3 h LEU 642 Ca -0.03 0.19 0.01 0.00 -0.12 0.00 0.00 57.88 57.93 2wk3 h LEU 642 Cb 1.08 0.49 -0.01 0.00 -0.73 0.00 0.00 40.66 41.49 2wk3 h LEU 642 CO 0.09 -0.30 0.02 0.11 -0.62 0.00 0.00 178.44 177.74 2wk3 h LYS 643 N -0.22 0.05 -0.95 1.25 1.57 -1.04 -1.41 116.57 115.83 2wk3 h LYS 643 Ca 0.19 -0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.10 2wk3 h LYS 643 Cb 0.52 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.74 2wk3 h LYS 643 CO -0.55 0.03 0.60 -0.22 -0.57 0.00 0.00 179.45 178.75 2wk3 h LYS 644 N 0.05 0.80 0.13 3.15 1.63 -0.91 0.15 116.57 121.57 2wk3 h LYS 644 Ca 0.03 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2wk3 h LYS 644 Cb 0.02 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.47 2wk3 h LYS 644 CO -0.03 0.53 -0.06 0.82 -3.45 0.00 0.00 179.45 177.26 2wk3 h ILE 645 N 0.83 1.05 -0.22 2.00 2.04 0.15 0.48 117.51 123.84 2wk3 h ILE 645 Ca 0.48 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 2wk3 h ILE 645 Cb 0.64 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2wk3 h ILE 645 CO -0.25 0.20 0.09 0.40 0.00 0.00 0.00 178.15 178.60 2wk3 h ILE 646 N -0.58 1.16 -0.79 -0.67 1.08 -0.97 0.19 117.51 116.93 2wk3 h ILE 646 Ca -0.02 -0.46 0.13 0.00 -0.39 0.00 0.00 64.86 64.12 2wk3 h ILE 646 Cb 0.45 1.06 -0.06 0.00 -3.07 0.00 0.00 36.82 35.21 2wk3 h ILE 646 CO 0.03 0.15 0.52 -0.08 -0.69 0.00 0.00 178.15 178.08 2wk3 h GLU 647 N 0.21 0.53 0.07 2.37 4.81 -0.70 -0.78 114.58 121.09 2wk3 h GLU 647 Ca 0.07 -0.03 -0.25 0.00 -0.13 0.00 0.00 59.36 59.02 2wk3 h GLU 647 Cb 0.16 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2wk3 h GLU 647 CO -0.01 0.35 -1.10 -0.22 -0.73 0.00 0.00 179.01 177.31 2wk3 h LYS 648 N 0.55 0.30 0.00 1.92 1.63 0.24 -3.15 116.57 118.06 2wk3 h LYS 648 Ca 0.38 -0.41 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 2wk3 h LYS 648 Cb 0.72 0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.48 2wk3 h LYS 648 CO -0.14 1.14 -0.14 0.00 -3.45 0.00 0.00 179.45 176.86 2wk3 h MET 649 N 0.12 0.00 -0.45 1.90 -0.00 0.68 -2.77 114.93 114.41 2wk3 h MET 649 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.60 2wk3 h MET 649 Cb 1.78 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.38 2wk3 h MET 649 CO 0.18 0.14 0.00 0.00 -0.00 0.00 0.00 176.91 177.23 2wk3 n ALA 650 N -2.18 2.41 -2.19 -3.00 0.00 -0.49 -4.06 120.51 110.99 2wk3 n ALA 650 Ca 0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 53.44 52.38 2wk3 n ALA 650 Cb 0.38 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 18.96 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 1.50 0.00 -2.45 0.00 -2.24 -1.15 -4.25 114.28 105.69 2wk3 n THR 651 Ca 0.20 -0.39 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 2wk3 n THR 651 Cb 0.61 0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 69.43 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 0.00 3.49 -0.26 4.78 5.36 -1.06 -5.00 117.98 125.30 2wk3 s PHE 652 Ca 0.13 1.42 -0.04 0.00 -0.96 0.00 0.00 56.93 57.48 2wk3 s PHE 652 Cb 0.15 -3.37 0.01 0.00 -0.34 0.00 0.00 43.02 39.47 2wk3 s PHE 652 CO -0.07 -1.03 -0.00 -2.00 -1.46 0.00 0.00 175.22 170.66 2wk3 s GLU 653 N 0.47 3.10 0.06 10.12 2.12 -1.26 -5.10 118.70 128.21 2wk3 s GLU 653 Ca 0.55 -0.82 -0.30 0.00 0.36 0.00 0.00 54.97 54.75 2wk3 s GLU 653 Cb -0.30 -3.14 -0.05 0.00 0.26 0.00 0.00 34.13 30.91 2wk3 s GLU 653 CO 0.32 -0.35 1.06 0.42 -0.54 0.00 0.00 175.26 176.17 2wk3 s ILE 654 N 1.44 4.42 -0.03 -3.70 1.01 -1.26 -5.02 121.20 118.06 2wk3 s ILE 654 Ca 0.03 1.81 -0.27 0.00 0.00 0.00 0.00 60.65 62.22 2wk3 s ILE 654 Cb -0.16 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 2wk3 s ILE 654 CO -0.02 0.18 0.84 -0.62 0.00 0.00 0.00 174.94 175.33 2wk3 s ASP 655 N 0.75 7.18 0.19 3.58 -1.08 -1.26 -4.97 116.67 121.06 2wk3 s ASP 655 Ca 0.53 1.43 -0.12 0.00 -0.52 0.00 0.00 52.55 53.88 2wk3 s ASP 655 Cb -0.25 -2.49 0.12 0.00 -1.46 0.00 0.00 42.92 38.83 2wk3 s ASP 655 CO 0.30 -0.18 1.84 -0.08 0.52 0.00 0.00 175.17 177.56 2wk3 h GLU 656 N 6.74 0.90 -0.97 4.34 4.81 -1.99 -2.02 114.58 126.39 2wk3 h GLU 656 Ca -0.41 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 58.77 2wk3 h GLU 656 Cb 1.21 -0.19 -0.06 0.00 0.63 0.00 0.00 28.75 30.34 2wk3 h GLU 656 CO 0.75 0.64 0.64 0.87 -0.73 0.00 0.00 179.01 181.18 2wk3 h LYS 657 N 0.91 1.20 -0.22 1.92 1.79 -2.01 -2.18 116.57 117.99 2wk3 h LYS 657 Ca 0.24 -0.07 -0.06 0.00 -2.18 0.00 0.00 60.65 58.58 2wk3 h LYS 657 Cb -0.04 -0.27 -0.01 0.00 -1.58 0.00 0.00 32.23 30.34 2wk3 h LYS 657 CO -0.05 0.80 -0.09 0.00 -1.08 0.00 0.00 179.45 179.03 2wk3 h ARG 658 N 1.24 0.45 -0.88 3.15 2.47 -1.95 -2.36 114.38 116.49 2wk3 h ARG 658 Ca 0.38 -0.19 0.23 0.00 -1.26 0.00 0.00 59.98 59.15 2wk3 h ARG 658 Cb -0.01 -0.02 -0.13 0.00 -1.65 0.00 0.00 29.97 28.16 2wk3 h ARG 658 CO -0.12 0.71 0.31 0.35 0.56 0.00 0.00 179.97 181.78 2wk3 h PHE 659 N 0.16 0.48 -0.01 3.04 3.57 -1.13 -0.13 116.94 122.92 2wk3 h PHE 659 Ca 0.05 0.05 -0.15 0.00 3.53 0.00 0.00 57.97 61.44 2wk3 h PHE 659 Cb 0.57 -0.07 0.01 0.00 2.79 0.00 0.00 35.95 39.25 2wk3 h PHE 659 CO 0.06 -0.14 -0.59 0.93 -2.23 0.00 0.00 178.31 176.34 2wk3 h GLU 660 N 0.28 0.41 -0.17 1.11 4.39 -1.07 -0.24 114.58 119.30 2wk3 h GLU 660 Ca 0.56 -0.43 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 2wk3 h GLU 660 Cb 1.10 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 2wk3 h GLU 660 CO -0.60 1.10 0.10 0.82 -1.16 0.00 0.00 179.01 179.27 2wk3 h ILE 661 N -0.09 1.07 -0.49 3.13 2.04 -1.28 -0.10 117.51 121.77 2wk3 h ILE 661 Ca -0.07 -0.17 -0.13 0.00 1.00 0.00 0.00 64.86 65.49 2wk3 h ILE 661 Cb 1.30 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 2wk3 h ILE 661 CO 0.12 0.07 -0.20 0.40 0.00 0.00 0.00 178.15 178.53 2wk3 h ILE 662 N 0.20 1.27 -0.50 -0.67 2.04 -1.05 -0.45 117.51 118.35 2wk3 h ILE 662 Ca 0.06 -1.36 0.10 0.00 1.00 0.00 0.00 64.86 64.66 2wk3 h ILE 662 Cb 0.02 1.10 -0.09 0.00 -0.74 0.00 0.00 36.82 37.11 2wk3 h ILE 662 CO -0.01 0.47 -0.05 0.50 0.00 0.00 0.00 178.15 179.06 2wk3 h LYS 663 N 0.86 0.07 -0.46 2.37 3.64 -0.86 0.51 116.57 122.71 2wk3 h LYS 663 Ca 0.12 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 2wk3 h LYS 663 Cb 0.77 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 2wk3 h LYS 663 CO 0.06 0.04 -0.11 1.49 -2.27 0.00 0.00 179.45 178.67 2wk3 h GLU 664 N 0.07 0.83 -0.13 1.90 4.22 -0.67 -1.52 114.58 119.28 2wk3 h GLU 664 Ca 0.25 -0.28 -0.11 0.00 0.08 0.00 0.00 59.36 59.29 2wk3 h GLU 664 Cb 0.38 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2wk3 h GLU 664 CO -0.46 0.90 -0.42 0.00 -2.18 0.00 0.00 179.01 176.85 2wk3 h ALA 665 N 1.13 1.04 -0.10 2.92 0.00 -0.39 -2.52 119.26 121.34 2wk3 h ALA 665 Ca 0.13 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 2wk3 h ALA 665 Cb 0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2wk3 h ALA 665 CO 0.04 0.61 -0.51 -0.92 0.00 0.00 0.00 179.25 178.47 2wk3 h TYR 666 N 0.25 0.34 -0.37 0.00 3.20 -0.37 -0.82 116.97 119.19 2wk3 h TYR 666 Ca 0.02 -0.11 -0.05 0.00 3.14 0.00 0.00 58.73 61.73 2wk3 h TYR 666 Cb 0.85 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 2wk3 h TYR 666 CO 0.02 0.73 0.02 1.98 -1.64 0.00 0.00 178.16 179.27 2wk3 h MET 667 N 0.22 0.65 -0.49 1.82 4.05 -0.90 -1.72 114.93 118.56 2wk3 h MET 667 Ca 0.01 -0.20 -0.03 0.00 -0.28 0.00 0.00 59.70 59.20 2wk3 h MET 667 Cb 0.98 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.69 2wk3 h MET 667 CO 0.08 0.74 0.16 0.00 0.23 0.00 0.00 176.91 178.12 2wk3 h ARG 668 N 0.47 0.72 0.48 0.39 3.08 -1.04 -1.35 114.38 117.13 2wk3 h ARG 668 Ca 0.11 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2wk3 h ARG 668 Cb 0.43 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2wk3 h ARG 668 CO 0.02 0.62 -0.23 1.03 -1.07 0.00 0.00 179.97 180.33 2wk3 h SER 669 N 0.71 -0.54 -0.93 7.04 0.87 -0.62 0.54 113.55 120.62 2wk3 h SER 669 Ca 0.17 -0.07 0.16 0.00 -1.23 0.00 0.00 61.79 60.82 2wk3 h SER 669 Cb 0.19 0.14 -0.16 0.00 -0.44 0.00 0.00 62.40 62.13 2wk3 h SER 669 CO -0.01 -0.23 -0.32 -0.07 -0.53 0.00 0.00 176.83 175.67 2wk3 h LEU 670 N -0.87 -1.17 -0.79 2.23 3.38 -1.25 -2.30 115.31 114.54 2wk3 h LEU 670 Ca -0.07 0.29 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 2wk3 h LEU 670 Cb 0.58 0.66 -0.04 0.00 0.09 0.00 0.00 40.66 41.96 2wk3 h LEU 670 CO 0.11 -0.30 0.35 0.78 0.09 0.00 0.00 178.44 179.47 2wk3 h ASN 671 N -0.02 1.06 0.18 -0.43 2.35 -0.38 -2.32 115.58 116.01 2wk3 h ASN 671 Ca 0.38 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2wk3 h ASN 671 Cb 0.63 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.73 2wk3 h ASN 671 CO -0.95 0.92 0.00 0.59 -1.65 0.00 0.00 177.43 176.34 2wk3 n ASN 672 N -4.33 0.00 -0.10 5.81 5.03 0.18 -1.05 115.26 120.80 2wk3 n ASN 672 Ca 0.07 0.27 0.13 0.00 0.87 0.00 0.00 54.58 55.92 2wk3 n ASN 672 Cb 0.16 -0.35 0.50 0.00 -1.02 0.00 0.00 39.78 39.07 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 0.45 0.00 3.10 3.57 -1.29 0.15 116.94 122.92 2wk3 h PHE 673 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2wk3 h PHE 673 Cb 0.09 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.68 2wk3 h PHE 673 CO 0.00 0.21 0.00 2.89 -2.23 0.00 0.00 178.31 179.18 2wk3 n ARG 674 N -4.47 0.12 0.00 1.11 1.85 -0.22 -1.53 116.66 113.52 2wk3 n ARG 674 Ca 0.11 0.58 0.11 0.00 -1.00 0.00 0.00 57.85 57.64 2wk3 n ARG 674 Cb 0.40 -1.85 0.01 0.00 -1.05 0.00 0.00 32.46 29.97 2wk3 n ARG 674 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wk3 n ALA 675 N -1.72 3.34 -0.60 2.89 0.00 0.52 -4.50 120.51 120.43 2wk3 n ALA 675 Ca -0.01 -0.64 -0.30 0.00 0.00 0.00 0.00 53.44 52.49 2wk3 n ALA 675 Cb 0.06 -0.77 0.20 0.00 0.00 0.00 0.00 19.45 18.94 2wk3 n ALA 675 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wk3 n GLU 676 N 0.21 -1.21 -2.37 0.00 -0.58 -0.58 -4.93 120.64 111.18 2wk3 n GLU 676 Ca 0.10 -0.30 -0.33 0.00 -0.42 0.00 0.00 57.16 56.20 2wk3 n GLU 676 Cb 0.48 -2.27 -0.02 0.00 -0.57 0.00 0.00 31.44 29.06 2wk3 n GLU 676 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2wk3 s GLN 677 N -4.49 3.67 0.29 3.49 -0.21 -1.26 -4.84 119.66 116.31 2wk3 s GLN 677 Ca 0.67 1.26 0.04 0.00 0.02 0.00 0.00 55.36 57.35 2wk3 s GLN 677 Cb -0.24 -2.08 0.70 0.00 1.00 0.00 0.00 33.01 32.40 2wk3 s GLN 677 CO 0.61 -0.53 1.73 -1.35 -2.12 0.00 0.00 175.29 173.64 2wk3 h PRO 678 N 1.13 0.54 -0.21 2.91 0.11 -1.89 0.14 132.00 134.74 2wk3 h PRO 678 Ca -0.48 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.45 2wk3 h PRO 678 Cb 1.22 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2wk3 h PRO 678 CO 0.59 0.36 -0.45 1.12 -0.21 0.00 0.00 178.00 179.40 2wk3 h HIS 679 N 0.56 0.64 -0.84 0.65 2.07 -1.87 0.51 115.15 116.86 2wk3 h HIS 679 Ca 0.55 -0.20 -0.01 0.00 -2.85 0.00 0.00 60.37 57.86 2wk3 h HIS 679 Cb 0.94 -0.13 -0.04 0.00 2.57 0.00 0.00 27.41 30.75 2wk3 h HIS 679 CO -0.08 0.89 0.48 1.96 -3.07 0.00 0.00 177.93 178.11 2wk3 h GLN 680 N 0.42 1.15 -0.07 5.12 4.20 -1.11 -0.59 115.11 124.24 2wk3 h GLN 680 Ca 0.03 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 2wk3 h GLN 680 Cb 0.96 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.50 2wk3 h GLN 680 CO 0.09 0.83 0.03 0.45 -0.67 0.00 0.00 178.83 179.55 2wk3 h HIS 681 N 1.17 0.09 -0.61 2.96 3.86 -0.85 0.14 115.15 121.91 2wk3 h HIS 681 Ca 0.30 -0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.59 2wk3 h HIS 681 Cb -0.01 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.37 2wk3 h HIS 681 CO 0.01 0.18 0.27 0.00 0.86 0.00 0.00 177.93 179.25 2wk3 h ALA 682 N 0.90 0.80 -0.49 2.45 0.00 -0.45 -0.08 119.26 122.39 2wk3 h ALA 682 Ca 0.02 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2wk3 h ALA 682 Cb 0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2wk3 h ALA 682 CO -0.00 -0.13 -0.15 0.52 0.00 0.00 0.00 179.25 179.49 2wk3 h MET 683 N 0.48 0.94 -0.32 0.00 2.07 -0.79 -1.85 114.93 115.46 2wk3 h MET 683 Ca 0.30 -0.36 -0.04 0.00 -2.07 0.00 0.00 59.70 57.53 2wk3 h MET 683 Cb 0.31 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 29.97 2wk3 h MET 683 CO -0.26 1.02 0.06 -0.92 1.07 0.00 0.00 176.91 177.87 2wk3 h TYR 684 N 0.83 0.56 -0.29 -0.22 3.20 0.29 -2.28 116.97 119.07 2wk3 h TYR 684 Ca 0.12 -0.08 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 2wk3 h TYR 684 Cb 0.70 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 2wk3 h TYR 684 CO 0.04 0.60 -0.03 1.88 -1.64 0.00 0.00 178.16 179.02 2wk3 h TYR 685 N 0.36 0.46 -0.48 -3.82 0.05 -0.88 -2.51 116.97 110.15 2wk3 h TYR 685 Ca 0.10 -0.04 -0.11 0.00 0.05 0.00 0.00 58.73 58.72 2wk3 h TYR 685 Cb 0.34 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 2wk3 h TYR 685 CO 0.02 0.48 -0.15 1.25 -1.05 0.00 0.00 178.16 178.71 2wk3 h LEU 686 N 0.43 0.92 -0.50 3.88 5.85 -0.98 -0.05 115.31 124.85 2wk3 h LEU 686 Ca 0.09 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 58.58 2wk3 h LEU 686 Cb 0.32 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 2wk3 h LEU 686 CO 0.01 1.06 0.14 0.03 -0.34 0.00 0.00 178.44 179.34 2wk3 h ARG 687 N 0.81 0.28 -0.59 1.25 -0.00 -1.01 -1.57 114.38 113.56 2wk3 h ARG 687 Ca 0.12 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.98 59.51 2wk3 h ARG 687 Cb 0.68 -0.06 -0.02 0.00 0.00 0.00 0.00 29.97 30.57 2wk3 h ARG 687 CO 0.05 0.19 0.08 -0.07 0.00 0.00 0.00 179.97 180.22 2wk3 h LEU 688 N 0.29 0.94 -0.69 3.04 3.38 -1.11 -2.69 115.31 118.48 2wk3 h LEU 688 Ca 0.25 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 2wk3 h LEU 688 Cb 0.31 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2wk3 h LEU 688 CO -0.29 0.98 -0.22 -0.07 0.09 0.00 0.00 178.44 178.92 2wk3 h LEU 689 N 0.88 0.79 0.00 1.67 3.38 -0.42 -3.33 115.31 118.27 2wk3 h LEU 689 Ca 0.18 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2wk3 h LEU 689 Cb 0.44 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2wk3 h LEU 689 CO 0.01 0.99 -0.93 0.23 0.09 0.00 0.00 178.44 178.83 2wk3 n MET 690 N -4.11 0.08 -3.91 1.13 2.81 -0.64 -4.83 117.12 107.64 2wk3 n MET 690 Ca 0.00 -0.01 -0.36 0.00 -1.81 0.00 0.00 57.70 55.52 2wk3 n MET 690 Cb 0.43 -1.52 -0.06 0.00 -0.71 0.00 0.00 33.22 31.37 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 -3.06 5.44 0.17 2.03 2.01 -1.03 -1.29 115.64 119.91 2wk3 s THR 691 Ca 0.07 0.10 -0.25 0.00 0.31 0.00 0.00 61.69 61.92 2wk3 s THR 691 Cb 0.16 -3.41 0.05 0.00 0.01 0.00 0.00 72.50 69.31 2wk3 s THR 691 CO 0.82 0.55 1.58 -0.08 -0.69 0.00 0.00 174.62 176.79 2wk3 h GLU 692 N 4.70 -0.23 -4.72 4.92 4.81 -1.27 -3.41 114.58 119.38 2wk3 h GLU 692 Ca -0.53 0.02 -0.51 0.00 -0.13 0.00 0.00 59.36 58.20 2wk3 h GLU 692 Cb 1.22 0.05 -0.32 0.00 0.63 0.00 0.00 28.75 30.33 2wk3 h GLU 692 CO 0.61 -0.15 -0.81 0.08 -0.73 0.00 0.00 179.01 178.00 2wk3 s VAL 693 N -5.89 1.13 -0.30 0.32 1.01 -1.26 -5.04 120.40 110.37 2wk3 s VAL 693 Ca -0.14 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 2wk3 s VAL 693 Cb 0.13 -1.01 0.17 0.00 0.00 0.00 0.00 36.38 35.67 2wk3 s VAL 693 CO 0.67 0.35 0.76 0.00 0.00 0.00 0.00 175.10 176.87 2wk3 s ALA 694 N 0.44 -2.48 0.06 5.51 0.00 -1.26 -5.09 121.76 118.94 2wk3 s ALA 694 Ca -0.10 1.95 -0.29 0.00 0.00 0.00 0.00 51.96 53.52 2wk3 s ALA 694 Cb -0.13 -2.10 -0.05 0.00 0.00 0.00 0.00 23.12 20.84 2wk3 s ALA 694 CO 0.03 -1.18 0.92 -1.58 0.00 0.00 0.00 175.76 173.95 2wk3 s TRP 695 N 2.81 3.75 0.74 0.00 0.23 -1.26 -5.02 118.94 120.18 2wk3 s TRP 695 Ca 0.06 1.69 -0.11 0.00 -2.03 0.00 0.00 56.10 55.71 2wk3 s TRP 695 Cb -0.12 -3.02 0.04 0.00 0.03 0.00 0.00 33.47 30.40 2wk3 s TRP 695 CO -0.18 0.16 1.11 0.95 0.96 0.00 0.00 176.95 179.95 2wk3 s THR 696 N 0.29 2.89 0.29 2.01 -4.23 -1.26 -4.86 115.64 110.78 2wk3 s THR 696 Ca 0.46 0.24 -0.01 0.00 -1.18 0.00 0.00 61.69 61.20 2wk3 s THR 696 Cb -0.22 -3.28 0.19 0.00 1.34 0.00 0.00 72.50 70.53 2wk3 s THR 696 CO 0.28 -0.36 1.87 0.11 -0.54 0.00 0.00 174.62 175.98 2wk3 h LYS 697 N -0.77 0.88 -0.47 3.99 1.79 -1.97 -0.68 116.57 119.33 2wk3 h LYS 697 Ca -0.45 -0.14 -0.04 0.00 -2.18 0.00 0.00 60.65 57.84 2wk3 h LYS 697 Cb 1.28 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.76 2wk3 h LYS 697 CO 0.64 0.72 0.15 -0.44 -1.08 0.00 0.00 179.45 179.44 2wk3 h ASP 698 N 0.87 0.69 -0.24 0.86 3.32 -1.94 0.33 116.42 120.30 2wk3 h ASP 698 Ca 0.21 -0.20 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 2wk3 h ASP 698 Cb 0.17 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2wk3 h ASP 698 CO -0.02 0.71 -0.12 -0.33 -1.72 0.00 0.00 179.24 177.76 2wk3 h GLU 699 N 0.63 0.65 -0.27 3.56 5.08 -1.74 0.99 114.58 123.48 2wk3 h GLU 699 Ca 0.15 -0.20 -0.18 0.00 -1.00 0.00 0.00 59.36 58.13 2wk3 h GLU 699 Cb 0.27 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2wk3 h GLU 699 CO -0.01 0.75 -0.55 -0.07 -1.00 0.00 0.00 179.01 178.14 2wk3 h LEU 700 N 0.59 0.94 -0.06 1.33 3.38 -0.67 -2.08 115.31 118.74 2wk3 h LEU 700 Ca 0.10 -0.54 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 2wk3 h LEU 700 Cb 0.55 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2wk3 h LEU 700 CO 0.03 1.31 0.04 0.11 0.09 0.00 0.00 178.44 180.03 2wk3 h LYS 701 N 0.61 0.09 -0.30 1.13 1.57 0.09 -2.23 116.57 117.53 2wk3 h LYS 701 Ca 0.01 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2wk3 h LYS 701 Cb 1.16 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 2wk3 h LYS 701 CO 0.12 0.10 0.18 1.49 -0.57 0.00 0.00 179.45 180.77 2wk3 h GLU 702 N 0.05 0.35 0.00 3.15 4.81 -0.79 -1.85 114.58 120.31 2wk3 h GLU 702 Ca 0.02 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2wk3 h GLU 702 Cb 0.03 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2wk3 h GLU 702 CO -0.00 0.23 0.00 0.00 -0.73 0.00 0.00 179.01 178.51 2wk3 n ALA 703 N -2.21 1.58 0.17 2.92 0.00 -0.79 -3.67 120.51 118.51 2wk3 n ALA 703 Ca -0.01 0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2wk3 n ALA 703 Cb 0.05 -1.26 0.15 0.00 0.00 0.00 0.00 19.45 18.38 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 0.00 -1.50 0.00 5.85 -0.70 -2.79 115.31 116.17 2wk3 h LEU 704 Ca 0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2wk3 h LEU 704 Cb 0.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2wk3 h LEU 704 CO 0.00 0.39 -0.21 0.44 -0.34 0.00 0.00 178.44 178.72 2wk3 h ASP 705 N 0.00 0.05 0.15 1.25 3.45 -1.71 -2.61 116.42 117.00 2wk3 h ASP 705 Ca -0.00 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.44 2wk3 h ASP 705 Cb 1.19 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.94 2wk3 h ASP 705 CO 0.05 0.27 0.00 0.47 -1.57 0.00 0.00 179.24 178.46 2wk3 n ASP 706 N -4.26 0.00 -4.63 6.45 8.00 -1.05 -4.70 116.55 116.36 2wk3 n ASP 706 Ca -0.02 -0.28 -0.42 0.00 0.71 0.00 0.00 54.79 54.78 2wk3 n ASP 706 Cb 0.28 -0.13 -0.05 0.00 -0.02 0.00 0.00 41.12 41.20 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 -2.27 4.82 0.29 2.53 1.01 -0.99 -5.00 120.40 120.80 2wk3 s VAL 707 Ca 0.22 1.36 0.11 0.00 0.00 0.00 0.00 61.98 63.67 2wk3 s VAL 707 Cb 0.12 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 2wk3 s VAL 707 CO 0.24 -0.16 -0.12 0.42 0.00 0.00 0.00 175.10 175.48 2wk3 s THR 708 N 2.89 2.65 0.16 3.92 -4.23 -1.26 -5.01 115.64 114.76 2wk3 s THR 708 Ca 0.33 -2.24 -0.20 0.00 -1.18 0.00 0.00 61.69 58.40 2wk3 s THR 708 Cb -0.15 -2.51 0.06 0.00 1.34 0.00 0.00 72.50 71.25 2wk3 s THR 708 CO 0.10 -0.35 1.64 0.25 -0.54 0.00 0.00 174.62 175.72 2wk3 h LEU 709 N 2.11 -0.65 -0.60 4.79 5.85 -1.99 -0.33 115.31 124.49 2wk3 h LEU 709 Ca -0.41 0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.53 2wk3 h LEU 709 Cb 1.26 0.33 -0.07 0.00 0.37 0.00 0.00 40.66 42.55 2wk3 h LEU 709 CO 0.62 -0.23 0.25 -0.65 -0.34 0.00 0.00 178.44 178.09 2wk3 h PRO 710 N -0.16 0.44 -0.62 5.25 0.11 -2.00 -1.37 132.00 133.66 2wk3 h PRO 710 Ca 0.16 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 2wk3 h PRO 710 Cb 0.41 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.39 2wk3 h PRO 710 CO -0.41 0.29 0.24 -0.09 -0.21 0.00 0.00 178.00 177.82 2wk3 h ARG 711 N 0.45 0.93 -0.45 1.05 9.65 -1.71 -2.20 114.38 122.10 2wk3 h ARG 711 Ca 0.29 -0.17 -0.03 0.00 -1.10 0.00 0.00 59.98 58.97 2wk3 h ARG 711 Cb 0.32 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.73 2wk3 h ARG 711 CO -0.27 0.79 0.16 1.25 2.80 0.00 0.00 179.97 184.70 2wk3 h LEU 712 N 0.87 0.64 -1.13 3.80 6.46 -0.81 -1.83 115.31 123.31 2wk3 h LEU 712 Ca 0.21 -0.19 0.20 0.00 -0.12 0.00 0.00 57.88 57.97 2wk3 h LEU 712 Cb 0.22 -0.17 -0.10 0.00 -0.73 0.00 0.00 40.66 39.88 2wk3 h LEU 712 CO -0.02 0.66 0.62 0.11 -0.62 0.00 0.00 178.44 179.19 2wk3 h LYS 713 N 0.59 0.66 0.03 1.25 1.57 -0.96 -2.31 116.57 117.39 2wk3 h LYS 713 Ca 0.15 -0.04 -0.24 0.00 -1.87 0.00 0.00 60.65 58.65 2wk3 h LYS 713 Cb 0.24 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.40 2wk3 h LYS 713 CO -0.01 0.43 -1.01 0.00 -0.57 0.00 0.00 179.45 178.29 2wk3 h ALA 714 N 1.64 0.28 -0.52 3.86 0.00 -1.10 -3.34 119.26 120.08 2wk3 h ALA 714 Ca 0.56 -0.74 0.05 0.00 0.00 0.00 0.00 54.91 54.79 2wk3 h ALA 714 Cb 0.99 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2wk3 h ALA 714 CO -0.34 0.82 0.25 0.35 0.00 0.00 0.00 179.25 180.33 2wk3 h PHE 715 N 0.22 0.45 -0.09 0.00 3.57 -0.79 -3.24 116.94 117.07 2wk3 h PHE 715 Ca -0.10 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.46 2wk3 h PHE 715 Cb 1.66 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 40.23 2wk3 h PHE 715 CO 0.07 0.20 -0.16 0.82 -2.23 0.00 0.00 178.31 177.01 2wk3 h ILE 716 N 0.48 0.58 -0.36 1.41 2.04 -1.60 0.20 117.51 120.26 2wk3 h ILE 716 Ca 0.24 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.09 2wk3 h ILE 716 Cb 0.17 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2wk3 h ILE 716 CO -0.18 0.00 0.18 -0.65 0.00 0.00 0.00 178.15 177.50 2wk3 h PRO 717 N -0.22 0.49 0.04 2.37 0.11 -1.76 -1.60 132.00 131.42 2wk3 h PRO 717 Ca 0.08 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 2wk3 h PRO 717 Cb 0.34 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.35 2wk3 h PRO 717 CO -0.22 0.37 -0.02 0.37 -0.21 0.00 0.00 178.00 178.29 2wk3 h GLN 718 N 0.49 -0.06 -0.69 1.05 5.75 -1.40 -1.69 115.11 118.57 2wk3 h GLN 718 Ca 0.13 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.73 2wk3 h GLN 718 Cb 0.04 0.01 -0.08 0.00 1.07 0.00 0.00 27.48 28.53 2wk3 h GLN 718 CO -0.02 0.20 0.30 1.25 -2.65 0.00 0.00 178.83 177.92 2wk3 h LEU 719 N -0.32 0.35 -0.05 -2.39 6.46 0.01 -2.28 115.31 117.09 2wk3 h LEU 719 Ca -0.01 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2wk3 h LEU 719 Cb 0.29 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 2wk3 h LEU 719 CO 0.01 0.19 0.00 0.18 -0.62 0.00 0.00 178.44 178.20 2wk3 n LEU 720 N -4.94 0.50 0.17 2.25 4.77 -0.66 -3.94 117.00 115.15 2wk3 n LEU 720 Ca 0.11 0.55 0.03 0.00 -0.03 0.00 0.00 56.01 56.68 2wk3 n LEU 720 Cb 0.30 -0.41 0.28 0.00 -2.33 0.00 0.00 43.42 41.27 2wk3 n LEU 720 CO 0.23 -0.15 0.62 0.77 -1.33 0.00 0.00 177.39 177.52 2wk3 h SER 721 N 0.00 0.00 -3.25 -1.43 4.64 -0.69 -3.38 113.55 109.45 2wk3 h SER 721 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 2wk3 h SER 721 Cb 0.61 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.37 2wk3 h SER 721 CO 0.00 0.45 -0.60 -0.13 -0.87 0.00 0.00 176.83 175.68 2wk3 s ARG 722 N -3.62 0.09 0.04 4.77 0.52 -1.25 -0.04 118.95 119.46 2wk3 s ARG 722 Ca -0.00 0.49 -0.04 0.00 -0.52 0.00 0.00 55.73 55.66 2wk3 s ARG 722 Cb 0.12 -0.20 -0.02 0.00 0.52 0.00 0.00 34.95 35.37 2wk3 s ARG 722 CO 0.71 -0.23 0.05 -0.51 0.02 0.00 0.00 175.30 175.35 2wk3 s LEU 723 N 1.70 2.01 0.05 2.53 1.43 -0.89 -4.65 118.68 120.86 2wk3 s LEU 723 Ca -0.04 -0.65 0.07 0.00 -1.03 0.00 0.00 54.13 52.48 2wk3 s LEU 723 Cb -0.12 0.46 -0.03 0.00 0.03 0.00 0.00 46.19 46.53 2wk3 s LEU 723 CO -0.06 -0.52 -0.18 -2.28 0.23 0.00 0.00 176.35 173.54 2wk3 s HIS 724 N -2.87 2.55 -0.13 0.29 5.65 -1.08 -2.97 115.29 116.74 2wk3 s HIS 724 Ca -0.03 -0.26 0.01 0.00 0.25 0.00 0.00 55.06 55.03 2wk3 s HIS 724 Cb 0.00 -1.44 0.02 0.00 -1.18 0.00 0.00 32.58 29.98 2wk3 s HIS 724 CO -0.06 0.27 -0.15 0.42 -0.65 0.00 0.00 174.74 174.57 2wk3 s ILE 725 N -0.96 1.56 -0.14 0.89 1.01 0.21 -0.21 121.20 123.56 2wk3 s ILE 725 Ca 0.15 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.15 2wk3 s ILE 725 Cb -0.10 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 2wk3 s ILE 725 CO 0.06 0.46 -0.15 -0.70 0.00 0.00 0.00 174.94 174.61 2wk3 s GLU 726 N 1.27 3.28 0.06 2.79 2.12 -0.16 -0.53 118.70 127.52 2wk3 s GLU 726 Ca 0.00 -0.73 0.05 0.00 0.36 0.00 0.00 54.97 54.65 2wk3 s GLU 726 Cb -0.14 -2.62 -0.03 0.00 0.26 0.00 0.00 34.13 31.61 2wk3 s GLU 726 CO -0.07 0.10 -0.14 0.00 -0.54 0.00 0.00 175.26 174.62 2wk3 s ALA 727 N 0.61 1.13 -0.20 6.30 0.00 -0.60 -0.39 121.76 128.61 2wk3 s ALA 727 Ca -0.08 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2wk3 s ALA 727 Cb -0.16 -0.12 0.03 0.00 0.00 0.00 0.00 23.12 22.87 2wk3 s ALA 727 CO 0.03 0.18 -0.17 -1.17 0.00 0.00 0.00 175.76 174.62 2wk3 s LEU 728 N -1.50 2.53 -0.20 0.00 0.20 -0.14 -0.72 118.68 118.85 2wk3 s LEU 728 Ca -0.01 -0.86 -0.04 0.00 0.69 0.00 0.00 54.13 53.91 2wk3 s LEU 728 Cb -0.09 -1.50 -0.02 0.00 -0.43 0.00 0.00 46.19 44.15 2wk3 s LEU 728 CO 0.02 -0.06 -0.04 -0.76 -0.29 0.00 0.00 176.35 175.22 2wk3 s LEU 729 N 1.24 3.01 -0.16 -0.68 1.43 -0.42 -0.84 118.68 122.26 2wk3 s LEU 729 Ca 0.01 -0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 52.74 2wk3 s LEU 729 Cb -0.15 -1.75 0.07 0.00 0.03 0.00 0.00 46.19 44.39 2wk3 s LEU 729 CO -0.11 0.04 0.33 -2.28 0.23 0.00 0.00 176.35 174.57 2wk3 s HIS 730 N 1.14 -0.56 -5.00 0.29 2.46 -0.54 -1.88 115.29 111.20 2wk3 s HIS 730 Ca 0.02 1.18 0.00 0.00 0.47 0.00 0.00 55.06 56.73 2wk3 s HIS 730 Cb -0.15 0.13 0.00 0.00 -0.13 0.00 0.00 32.58 32.44 2wk3 s HIS 730 CO -0.00 -0.38 0.00 0.41 -2.47 0.00 0.00 174.74 172.30 2wk3 n GLY 731 N 5.09 -0.14 2.65 1.59 0.00 -0.97 -0.57 105.19 112.83 2wk3 n GLY 731 Ca -0.12 -1.45 -0.38 0.00 0.00 0.00 0.00 46.02 44.07 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 1.23 5.30 -3.88 1.61 5.15 -0.30 -0.53 115.26 123.85 2wk3 n ASN 732 Ca 0.00 -2.66 -0.10 0.00 -0.60 0.00 0.00 54.58 51.22 2wk3 n ASN 732 Cb 0.00 -1.46 -0.09 0.00 -0.53 0.00 0.00 39.78 37.70 2wk3 n ASN 732 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2wk3 s ILE 733 N 3.21 0.11 0.48 -1.44 -4.36 -1.26 -4.86 121.20 113.09 2wk3 s ILE 733 Ca 0.55 -0.94 -0.06 0.00 -0.26 0.00 0.00 60.65 59.93 2wk3 s ILE 733 Cb 0.15 -0.84 -0.04 0.00 1.25 0.00 0.00 42.46 42.98 2wk3 s ILE 733 CO -0.04 -0.52 0.81 0.42 0.24 0.00 0.00 174.94 175.85 2wk3 s THR 734 N -2.42 4.87 0.24 8.37 -4.23 -1.26 -4.50 115.64 116.72 2wk3 s THR 734 Ca -0.06 0.33 -0.13 0.00 -1.18 0.00 0.00 61.69 60.65 2wk3 s THR 734 Cb -0.02 -3.85 0.32 0.00 1.34 0.00 0.00 72.50 70.29 2wk3 s THR 734 CO -0.03 -0.84 1.58 0.50 -0.54 0.00 0.00 174.62 175.29 2wk3 h LYS 735 N 0.31 -0.02 -0.77 3.99 3.64 -1.99 0.47 116.57 122.22 2wk3 h LYS 735 Ca -0.47 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 2wk3 h LYS 735 Cb 1.20 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 2wk3 h LYS 735 CO 0.62 -0.01 0.38 -0.56 -2.27 0.00 0.00 179.45 177.60 2wk3 h GLN 736 N -0.02 1.09 -0.28 1.90 -0.00 -1.99 0.96 115.11 116.78 2wk3 h GLN 736 Ca 0.38 -0.15 -0.17 0.00 -0.00 0.00 0.00 58.65 58.71 2wk3 h GLN 736 Cb 0.61 -0.20 -0.00 0.00 -0.00 0.00 0.00 27.48 27.88 2wk3 h GLN 736 CO -0.86 0.83 -0.50 0.00 -0.00 0.00 0.00 178.83 178.29 2wk3 h ALA 737 N 1.33 0.59 0.24 0.06 0.00 -1.49 -1.04 119.26 118.95 2wk3 h ALA 737 Ca 0.27 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2wk3 h ALA 737 Cb 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wk3 h ALA 737 CO -0.04 0.68 -0.14 0.00 0.00 0.00 0.00 179.25 179.76 2wk3 h ALA 738 N 0.83 -0.35 -0.81 0.00 0.00 0.66 0.09 119.26 119.69 2wk3 h ALA 738 Ca 0.03 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2wk3 h ALA 738 Cb 1.08 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 2wk3 h ALA 738 CO 0.11 -0.70 0.53 -0.07 0.00 0.00 0.00 179.25 179.12 2wk3 h LEU 739 N -0.36 0.90 -1.03 0.00 3.38 -0.76 0.12 115.31 117.57 2wk3 h LEU 739 Ca -0.03 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2wk3 h LEU 739 Cb 0.29 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2wk3 h LEU 739 CO 0.03 0.64 -0.14 1.23 0.09 0.00 0.00 178.44 180.30 2wk3 h GLY 740 N 1.06 0.57 1.00 0.83 0.00 -0.57 0.11 103.07 106.08 2wk3 h GLY 740 Ca 0.30 -0.41 -0.19 0.00 0.00 0.00 0.00 47.33 47.03 2wk3 h GLY 740 CO -0.07 0.38 -0.69 -2.22 0.00 0.00 0.00 176.54 173.94 2wk3 h ILE 741 N 0.49 1.33 0.14 2.60 2.04 0.50 0.04 117.51 124.65 2wk3 h ILE 741 Ca 0.09 -1.97 -0.00 0.00 1.00 0.00 0.00 64.86 63.97 2wk3 h ILE 741 Cb 0.53 2.22 -0.00 0.00 -0.74 0.00 0.00 36.82 38.83 2wk3 h ILE 741 CO 0.03 0.60 -0.09 -0.03 0.00 0.00 0.00 178.15 178.67 2wk3 h MET 742 N 0.25 -0.22 -0.21 2.37 4.05 -0.60 -1.93 114.93 118.65 2wk3 h MET 742 Ca -0.06 0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.27 2wk3 h MET 742 Cb 1.34 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 32.18 2wk3 h MET 742 CO 0.14 -0.15 -0.33 0.37 0.23 0.00 0.00 176.91 177.17 2wk3 h GLN 743 N -0.23 0.43 -0.93 0.39 5.75 -0.73 -1.78 115.11 118.01 2wk3 h GLN 743 Ca -0.01 -0.19 0.01 0.00 -0.15 0.00 0.00 58.65 58.31 2wk3 h GLN 743 Cb 0.19 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.69 2wk3 h GLN 743 CO 0.01 0.71 0.62 1.98 -2.65 0.00 0.00 178.83 179.50 2wk3 h MET 744 N 0.37 1.22 0.55 1.69 4.05 -0.75 0.10 114.93 122.16 2wk3 h MET 744 Ca 0.04 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.37 2wk3 h MET 744 Cb 0.77 -0.28 -0.01 0.00 -0.80 0.00 0.00 31.60 31.28 2wk3 h MET 744 CO 0.06 0.81 -0.37 0.28 0.23 0.00 0.00 176.91 177.92 2wk3 h VAL 745 N 1.26 0.24 -0.60 -5.77 2.07 -0.53 -1.89 116.25 111.02 2wk3 h VAL 745 Ca 0.34 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.98 2wk3 h VAL 745 Cb -0.14 0.24 -0.10 0.00 -1.52 0.00 0.00 31.29 29.77 2wk3 h VAL 745 CO -0.08 0.00 0.03 -0.33 0.02 0.00 0.00 177.57 177.21 2wk3 h GLU 746 N -0.89 0.14 0.00 1.57 5.08 -1.19 -1.90 114.58 117.40 2wk3 h GLU 746 Ca -0.06 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2wk3 h GLU 746 Cb 0.74 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2wk3 h GLU 746 CO 0.04 0.09 -0.24 -0.44 -1.00 0.00 0.00 179.01 177.46 2wk3 h ASP 747 N 0.14 0.00 -0.06 1.42 3.45 -0.87 -1.00 116.42 119.50 2wk3 h ASP 747 Ca 0.32 0.00 -0.23 0.00 0.43 0.00 0.00 57.03 57.55 2wk3 h ASP 747 Cb 0.50 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.29 2wk3 h ASP 747 CO -0.50 0.24 -0.85 0.74 -1.57 0.00 0.00 179.24 177.30 2wk3 h THR 748 N 0.00 1.30 0.54 0.35 2.02 -0.56 0.21 112.91 116.77 2wk3 h THR 748 Ca -0.00 -2.09 -0.03 0.00 0.77 0.00 0.00 66.41 65.06 2wk3 h THR 748 Cb 0.49 2.26 0.01 0.00 -1.74 0.00 0.00 68.15 69.16 2wk3 h THR 748 CO 0.03 0.65 -0.26 -0.07 0.37 0.00 0.00 175.52 176.24 2wk3 h LEU 749 N 0.36 -0.61 -0.80 2.58 3.38 -0.90 -2.04 115.31 117.27 2wk3 h LEU 749 Ca -0.09 -0.04 0.14 0.00 0.09 0.00 0.00 57.88 57.99 2wk3 h LEU 749 Cb 1.50 0.16 -0.14 0.00 0.09 0.00 0.00 40.66 42.27 2wk3 h LEU 749 CO 0.17 -0.33 -0.31 0.40 0.09 0.00 0.00 178.44 178.46 2wk3 h ILE 750 N -0.87 0.11 -0.47 1.22 2.04 -1.30 0.26 117.51 118.51 2wk3 h ILE 750 Ca -0.07 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 2wk3 h ILE 750 Cb 0.61 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 2wk3 h ILE 750 CO 0.12 0.00 0.11 -0.08 0.00 0.00 0.00 178.15 178.30 2wk3 h GLU 751 N -0.06 0.71 0.00 2.37 4.81 -0.69 -2.63 114.58 119.09 2wk3 h GLU 751 Ca 0.33 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 2wk3 h GLU 751 Cb 0.59 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 2wk3 h GLU 751 CO -0.84 0.65 -1.46 0.72 -0.73 0.00 0.00 179.01 177.34 2wk3 n HIS 752 N -4.30 0.00 -0.85 0.92 8.25 -0.79 -4.59 115.22 113.87 2wk3 n HIS 752 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2wk3 n HIS 752 Cb 0.21 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.07 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 -1.91 1.33 -2.45 -1.41 0.00 0.86 -4.81 120.51 112.12 2wk3 n ALA 753 Ca -0.04 -0.70 -0.21 0.00 0.00 0.00 0.00 53.44 52.49 2wk3 n ALA 753 Cb 0.33 -0.05 -0.01 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.15 -1.07 -1.69 0.00 -0.00 -0.97 -4.51 115.22 106.82 2wk3 n HIS 754 Ca 0.00 0.04 -0.43 0.00 -0.00 0.00 0.00 57.72 57.33 2wk3 n HIS 754 Cb 0.46 -4.03 -0.01 0.00 -0.00 0.00 0.00 29.99 26.41 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 -4.06 1.64 -4.50 1.59 -1.04 -1.25 -4.90 114.28 101.76 2wk3 n THR 755 Ca -0.24 -0.41 -0.25 0.00 -2.04 0.00 0.00 64.05 61.12 2wk3 n THR 755 Cb 0.68 -1.57 -0.10 0.00 -1.82 0.00 0.00 70.33 67.52 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 -1.37 1.73 0.99 -2.82 -0.14 0.94 -4.61 119.74 114.46 2wk3 s LYS 756 Ca 0.60 -1.85 -0.11 0.00 -1.36 0.00 0.00 55.97 53.24 2wk3 s LYS 756 Cb -0.59 -1.67 0.19 0.00 -1.68 0.00 0.00 37.83 34.08 2wk3 s LYS 756 CO 0.58 0.21 1.09 -2.14 -0.76 0.00 0.00 175.35 174.32 2wk3 s PRO 757 N -3.58 0.46 0.33 -1.68 0.02 -1.26 -2.10 135.00 127.18 2wk3 s PRO 757 Ca 0.31 1.11 0.08 0.00 0.02 0.00 0.00 61.00 62.52 2wk3 s PRO 757 Cb -0.00 -1.69 -0.03 0.00 0.02 0.00 0.00 34.50 32.79 2wk3 s PRO 757 CO 0.15 -2.88 0.21 -1.17 -0.33 0.00 0.00 177.00 172.99 2wk3 s LEU 758 N -6.70 3.45 0.04 -5.54 2.96 -1.16 -4.58 118.68 107.15 2wk3 s LEU 758 Ca 0.66 -0.61 -0.20 0.00 -0.22 0.00 0.00 54.13 53.77 2wk3 s LEU 758 Cb -0.22 -1.99 -0.06 0.00 0.50 0.00 0.00 46.19 44.42 2wk3 s LEU 758 CO 0.60 -0.30 0.57 -0.76 -1.32 0.00 0.00 176.35 175.14 2wk3 s LEU 759 N -3.91 4.48 0.31 -0.68 2.01 -1.26 -4.88 118.68 114.75 2wk3 s LEU 759 Ca 0.39 1.20 0.04 0.00 0.01 0.00 0.00 54.13 55.76 2wk3 s LEU 759 Cb -0.04 -2.89 0.81 0.00 0.01 0.00 0.00 46.19 44.08 2wk3 s LEU 759 CO 0.24 0.21 1.59 -0.65 1.01 0.00 0.00 176.35 178.75 2wk3 h PRO 760 N 5.02 0.04 0.00 1.29 0.11 -1.99 0.58 132.00 137.05 2wk3 h PRO 760 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wk3 h PRO 760 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2wk3 h PRO 760 CO 0.66 0.03 0.00 0.66 -0.21 0.00 0.00 178.00 179.14 2wk3 h SER 761 N 0.04 0.00 -0.00 -2.05 4.64 -2.05 -2.46 113.55 111.67 2wk3 h SER 761 Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 2wk3 h SER 761 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2wk3 h SER 761 CO -0.85 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.11 2wk3 n GLN 762 N -2.88 1.04 -1.26 4.77 6.02 0.20 -4.09 117.38 121.18 2wk3 n GLN 762 Ca 0.02 -0.06 -0.22 0.00 -0.01 0.00 0.00 57.00 56.74 2wk3 n GLN 762 Cb 0.35 -1.43 -0.11 0.00 1.02 0.00 0.00 30.24 30.07 2wk3 n GLN 762 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2wk3 n LEU 763 N -0.87 6.22 -4.51 1.08 4.77 -0.93 -4.90 117.00 117.87 2wk3 n LEU 763 Ca 0.21 -3.72 -0.42 0.00 -0.03 0.00 0.00 56.01 52.04 2wk3 n LEU 763 Cb 0.11 -1.37 -0.07 0.00 -2.33 0.00 0.00 43.42 39.76 2wk3 n LEU 763 CO 0.16 1.78 1.99 0.52 -1.33 0.00 0.00 177.39 180.50 2wk3 n VAL 764 N 2.04 0.05 -3.15 4.08 0.31 -1.26 -5.00 118.33 115.40 2wk3 n VAL 764 Ca 0.50 -0.43 -0.34 0.00 -0.01 0.00 0.00 64.34 64.06 2wk3 n VAL 764 Cb 0.68 -1.91 -0.06 0.00 -0.91 0.00 0.00 33.84 31.64 2wk3 n VAL 764 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wk3 s ARG 765 N 7.67 4.09 0.37 5.55 1.70 -1.26 -5.06 118.95 132.00 2wk3 s ARG 765 Ca 1.10 0.72 -0.09 0.00 -0.47 0.00 0.00 55.73 56.99 2wk3 s ARG 765 Cb -0.65 -2.64 -0.06 0.00 -0.57 0.00 0.00 34.95 31.03 2wk3 s ARG 765 CO 0.39 0.27 0.71 0.71 -1.08 0.00 0.00 175.30 176.31 2wk3 s TYR 766 N -1.77 3.47 0.29 5.89 4.12 -1.26 -5.06 117.35 123.02 2wk3 s TYR 766 Ca 0.49 0.95 0.06 0.00 0.02 0.00 0.00 57.07 58.59 2wk3 s TYR 766 Cb -0.13 -2.36 -0.02 0.00 -1.52 0.00 0.00 41.96 37.93 2wk3 s TYR 766 CO 0.19 -0.02 0.37 1.03 0.02 0.00 0.00 175.55 177.13 2wk3 s ARG 767 N -3.72 3.13 -0.16 -0.62 0.52 -1.26 -4.84 118.95 112.00 2wk3 s ARG 767 Ca 0.50 -0.99 -0.13 0.00 -0.52 0.00 0.00 55.73 54.59 2wk3 s ARG 767 Cb -0.10 -2.75 -0.05 0.00 0.52 0.00 0.00 34.95 32.57 2wk3 s ARG 767 CO 0.30 0.23 0.27 -2.00 0.02 0.00 0.00 175.30 174.12 2wk3 s GLU 768 N -4.03 4.19 -0.07 3.54 2.12 -1.26 -0.73 118.70 122.47 2wk3 s GLU 768 Ca 0.39 0.05 -0.40 0.00 0.36 0.00 0.00 54.97 55.37 2wk3 s GLU 768 Cb -0.08 -3.41 -0.20 0.00 0.26 0.00 0.00 34.13 30.70 2wk3 s GLU 768 CO 0.29 0.29 1.12 0.28 -0.54 0.00 0.00 175.26 176.70 2wk3 n VAL 769 N 3.42 0.00 -3.56 3.70 0.31 -0.41 -2.12 118.33 119.67 2wk3 n VAL 769 Ca -0.13 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.82 2wk3 n VAL 769 Cb 0.52 -0.07 -0.11 0.00 -0.91 0.00 0.00 33.84 33.27 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 0.41 3.85 0.28 5.55 0.74 -0.67 -4.79 119.66 125.03 2wk3 s GLN 770 Ca 0.91 -0.37 -0.17 0.00 0.05 0.00 0.00 55.36 55.79 2wk3 s GLN 770 Cb -1.28 -3.69 -0.09 0.00 1.10 0.00 0.00 33.01 29.05 2wk3 s GLN 770 CO 0.59 -0.25 0.73 -0.51 -0.55 0.00 0.00 175.29 175.30 2wk3 s LEU 771 N 1.77 4.19 0.13 3.68 1.02 -1.26 -4.07 118.68 124.15 2wk3 s LEU 771 Ca 0.07 1.33 -0.30 0.00 0.02 0.00 0.00 54.13 55.26 2wk3 s LEU 771 Cb -0.16 -3.85 -0.06 0.00 0.02 0.00 0.00 46.19 42.13 2wk3 s LEU 771 CO 0.11 -0.10 1.05 -2.16 0.02 0.00 0.00 176.35 175.27 2wk3 s PRO 772 N -2.53 4.61 0.05 1.29 0.04 -1.26 -4.97 135.00 132.23 2wk3 s PRO 772 Ca 0.49 1.61 -0.31 0.00 0.04 0.00 0.00 61.00 62.83 2wk3 s PRO 772 Cb -0.13 -3.33 -0.16 0.00 0.04 0.00 0.00 34.50 30.92 2wk3 s PRO 772 CO 0.19 0.08 0.76 -0.25 0.04 0.00 0.00 177.00 177.83 2wk3 n ASP 773 N 2.79 -0.30 0.00 6.66 10.43 -1.26 -1.59 116.55 133.28 2wk3 n ASP 773 Ca 0.03 0.96 0.00 0.00 2.57 0.00 0.00 54.79 58.35 2wk3 n ASP 773 Cb 0.48 -0.77 0.00 0.00 1.84 0.00 0.00 41.12 42.66 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 1.14 -0.50 -3.08 -1.24 1.74 0.59 -4.93 116.66 110.38 2wk3 n ARG 774 Ca 0.16 0.12 -0.27 0.00 -0.77 0.00 0.00 57.85 57.10 2wk3 n ARG 774 Cb 0.11 -3.68 -0.01 0.00 -1.02 0.00 0.00 32.46 27.85 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 -2.00 1.56 -0.13 -0.13 0.00 -0.62 -5.00 107.32 101.00 2wk3 s GLY 775 Ca 0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 44.72 44.03 2wk3 s GLY 775 CO 0.00 -0.52 0.27 0.86 0.00 0.00 0.00 173.10 173.71 2wk3 s TRP 776 N -2.41 -0.42 -0.03 1.90 -0.00 -1.25 -2.38 118.94 114.35 2wk3 s TRP 776 Ca 0.44 0.96 0.06 0.00 -0.00 0.00 0.00 56.10 57.56 2wk3 s TRP 776 Cb -0.10 -0.00 -0.01 0.00 -0.00 0.00 0.00 33.47 33.35 2wk3 s TRP 776 CO 0.37 -0.33 -0.23 -0.06 -0.00 0.00 0.00 176.95 176.70 2wk3 s PHE 777 N 2.15 2.10 -0.08 5.86 0.40 -0.45 -1.29 117.98 126.67 2wk3 s PHE 777 Ca -0.01 -0.49 0.03 0.00 -0.60 0.00 0.00 56.93 55.85 2wk3 s PHE 777 Cb -0.12 -1.36 -0.02 0.00 0.51 0.00 0.00 43.02 42.03 2wk3 s PHE 777 CO -0.09 -0.10 -0.15 0.08 0.70 0.00 0.00 175.22 175.66 2wk3 s VAL 778 N -0.35 2.99 -0.11 -0.44 1.01 -0.57 -1.13 120.40 121.80 2wk3 s VAL 778 Ca 0.04 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.32 2wk3 s VAL 778 Cb -0.10 -2.19 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 2wk3 s VAL 778 CO 0.01 0.57 -0.22 -0.47 0.00 0.00 0.00 175.10 174.99 2wk3 s TYR 779 N -0.34 2.62 -0.04 5.22 5.04 0.10 -0.24 117.35 129.71 2wk3 s TYR 779 Ca 0.03 -1.00 0.06 0.00 -2.44 0.00 0.00 57.07 53.72 2wk3 s TYR 779 Cb -0.13 -1.75 -0.01 0.00 0.35 0.00 0.00 41.96 40.42 2wk3 s TYR 779 CO 0.02 -0.40 -0.24 -1.14 -1.34 0.00 0.00 175.55 172.45 2wk3 s GLN 780 N 0.40 2.29 0.28 4.97 0.74 -1.26 0.53 119.66 127.61 2wk3 s GLN 780 Ca -0.16 -0.87 -0.04 0.00 0.05 0.00 0.00 55.36 54.34 2wk3 s GLN 780 Cb -0.17 -2.02 -0.01 0.00 1.10 0.00 0.00 33.01 31.90 2wk3 s GLN 780 CO 0.07 0.42 0.38 -0.65 -0.55 0.00 0.00 175.29 174.96 2wk3 s GLN 781 N -0.28 1.63 -0.06 1.67 -1.52 0.05 -4.97 119.66 116.17 2wk3 s GLN 781 Ca 0.01 -1.61 0.05 0.00 -1.95 0.00 0.00 55.36 51.86 2wk3 s GLN 781 Cb -0.12 0.40 -0.01 0.00 -0.22 0.00 0.00 33.01 33.06 2wk3 s GLN 781 CO 0.02 -0.64 -0.22 0.50 -0.25 0.00 0.00 175.29 174.70 2wk3 s ARG 782 N -3.62 2.63 -0.12 2.91 3.52 -1.26 -0.27 118.95 122.73 2wk3 s ARG 782 Ca 0.31 -0.84 -0.24 0.00 -0.13 0.00 0.00 55.73 54.82 2wk3 s ARG 782 Cb 0.02 -2.25 -0.02 0.00 -1.56 0.00 0.00 34.95 31.13 2wk3 s ARG 782 CO 0.16 0.41 0.77 1.21 -0.81 0.00 0.00 175.30 177.04 2wk3 s ASN 783 N -0.21 6.97 0.00 -2.12 2.47 0.26 -4.90 114.94 117.41 2wk3 s ASN 783 Ca -0.02 1.18 0.22 0.00 0.42 0.00 0.00 52.86 54.66 2wk3 s ASN 783 Cb -0.13 -2.44 0.51 0.00 -1.45 0.00 0.00 41.25 37.74 2wk3 s ASN 783 CO 0.03 -0.27 1.44 -1.84 -3.72 0.00 0.00 177.10 172.74 2wk3 n GLU 784 N 4.60 2.33 -0.04 0.43 0.28 -1.26 -2.18 120.64 124.79 2wk3 n GLU 784 Ca 0.02 -2.01 -0.08 0.00 -0.16 0.00 0.00 57.16 54.93 2wk3 n GLU 784 Cb 0.50 -1.48 -0.03 0.00 1.43 0.00 0.00 31.44 31.86 2wk3 n GLU 784 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2wk3 n VAL 785 N 1.21 0.42 -3.52 3.84 0.31 -1.26 -4.86 118.33 114.48 2wk3 n VAL 785 Ca 0.19 -0.12 -0.37 0.00 -0.01 0.00 0.00 64.34 64.03 2wk3 n VAL 785 Cb 0.53 -1.44 -0.06 0.00 -0.91 0.00 0.00 33.84 31.97 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 -2.14 3.68 -0.61 3.52 3.76 -1.26 -4.90 115.29 117.34 2wk3 s HIS 786 Ca -0.11 0.94 -0.01 0.00 -0.15 0.00 0.00 55.06 55.74 2wk3 s HIS 786 Cb 0.04 -2.25 0.47 0.00 1.11 0.00 0.00 32.58 31.95 2wk3 s HIS 786 CO 0.14 0.60 1.95 -1.71 -0.85 0.00 0.00 174.74 174.88 2wk3 n ASN 787 N 1.53 7.05 -4.42 1.40 5.15 -1.26 -1.07 115.26 123.63 2wk3 n ASN 787 Ca -0.12 -3.77 -0.23 0.00 -0.60 0.00 0.00 54.58 49.86 2wk3 n ASN 787 Cb 0.52 -0.91 -0.10 0.00 -0.53 0.00 0.00 39.78 38.76 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 -1.94 3.23 0.42 1.20 -0.87 -1.26 -4.77 114.94 110.95 2wk3 s ASN 788 Ca 0.63 -1.00 0.08 0.00 -1.57 0.00 0.00 52.86 51.00 2wk3 s ASN 788 Cb 0.50 -0.24 -0.01 0.00 -0.02 0.00 0.00 41.25 41.48 2wk3 s ASN 788 CO 0.01 -0.02 0.46 -0.94 -2.57 0.00 0.00 177.10 174.04 2wk3 s SER 789 N -3.32 5.27 0.03 -1.22 1.04 0.13 -3.36 113.70 112.28 2wk3 s SER 789 Ca 0.26 -0.63 -0.05 0.00 0.48 0.00 0.00 55.95 56.01 2wk3 s SER 789 Cb -0.04 -0.58 -0.01 0.00 0.10 0.00 0.00 66.02 65.49 2wk3 s SER 789 CO 0.12 -0.71 0.08 -0.83 0.98 0.00 0.00 173.24 172.88 2wk3 s GLY 790 N -4.22 0.19 -0.12 7.32 0.00 0.54 -1.42 107.32 109.60 2wk3 s GLY 790 Ca 0.51 -0.56 -0.13 0.00 0.00 0.00 0.00 44.72 44.54 2wk3 s GLY 790 CO 0.30 -0.69 0.35 -1.50 0.00 0.00 0.00 173.10 171.56 2wk3 s ILE 791 N -2.46 0.00 -0.09 0.90 2.07 -0.33 0.14 121.20 121.44 2wk3 s ILE 791 Ca -0.06 -0.03 0.02 0.00 -1.41 0.00 0.00 60.65 59.17 2wk3 s ILE 791 Cb -0.02 -0.51 0.01 0.00 0.13 0.00 0.00 42.46 42.07 2wk3 s ILE 791 CO -0.04 -0.02 -0.16 -0.70 -1.91 0.00 0.00 174.94 172.12 2wk3 s GLU 792 N 0.08 2.17 -0.17 3.50 2.12 -0.98 -2.27 118.70 123.14 2wk3 s GLU 792 Ca -0.01 -0.56 -0.02 0.00 0.36 0.00 0.00 54.97 54.74 2wk3 s GLU 792 Cb -0.03 -1.77 -0.01 0.00 0.26 0.00 0.00 34.13 32.58 2wk3 s GLU 792 CO 0.01 0.02 -0.08 0.42 -0.54 0.00 0.00 175.26 175.08 2wk3 s ILE 793 N 0.73 3.26 -0.25 -3.70 1.01 -0.24 -1.14 121.20 120.87 2wk3 s ILE 793 Ca -0.12 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 59.98 2wk3 s ILE 793 Cb -0.16 -2.42 0.05 0.00 0.01 0.00 0.00 42.46 39.94 2wk3 s ILE 793 CO 0.03 0.48 -0.11 -0.47 0.00 0.00 0.00 174.94 174.87 2wk3 s TYR 794 N 0.84 3.19 -0.82 3.97 5.04 0.10 -1.58 117.35 128.10 2wk3 s TYR 794 Ca -0.03 -2.14 -0.18 0.00 -2.44 0.00 0.00 57.07 52.29 2wk3 s TYR 794 Cb -0.15 -1.96 0.15 0.00 0.35 0.00 0.00 41.96 40.35 2wk3 s TYR 794 CO 0.01 -0.85 0.92 0.71 -1.34 0.00 0.00 175.55 175.00 2wk3 s TYR 795 N 1.16 3.27 0.22 4.97 1.51 0.55 -1.69 117.35 127.33 2wk3 s TYR 795 Ca -0.06 -1.44 -0.30 0.00 -1.01 0.00 0.00 57.07 54.26 2wk3 s TYR 795 Cb -0.19 -4.09 -0.09 0.00 -0.11 0.00 0.00 41.96 37.48 2wk3 s TYR 795 CO -0.06 -1.31 1.34 -1.14 -1.11 0.00 0.00 175.55 173.28 2wk3 s GLN 796 N 1.99 4.36 0.00 -0.62 0.74 0.56 -1.37 119.66 125.33 2wk3 s GLN 796 Ca 0.23 2.12 0.00 0.00 0.05 0.00 0.00 55.36 57.76 2wk3 s GLN 796 Cb -0.11 -3.17 0.00 0.00 1.10 0.00 0.00 33.01 30.83 2wk3 s GLN 796 CO -0.05 -0.29 0.00 0.25 -0.55 0.00 0.00 175.29 174.65 2wk3 n THR 797 N 2.49 0.00 -3.83 -0.34 -2.24 0.79 -4.02 114.28 107.13 2wk3 n THR 797 Ca 0.06 0.09 -0.03 0.00 -2.27 0.00 0.00 64.05 61.90 2wk3 n THR 797 Cb 0.42 -1.08 0.01 0.00 -2.10 0.00 0.00 70.33 67.58 2wk3 n THR 797 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wk3 s ASP 798 N -1.49 -0.05 0.51 3.42 -1.08 -1.23 -5.00 116.67 111.74 2wk3 s ASP 798 Ca 0.00 -0.57 -0.20 0.00 -0.52 0.00 0.00 52.55 51.25 2wk3 s ASP 798 Cb 0.00 0.48 -0.09 0.00 -1.46 0.00 0.00 42.92 41.84 2wk3 s ASP 798 CO 0.00 -0.93 0.69 0.23 0.52 0.00 0.00 175.17 175.67 2wk3 n MET 799 N -0.62 0.75 -1.48 4.34 2.81 -1.26 -3.31 117.12 118.34 2wk3 n MET 799 Ca -0.04 0.28 -0.36 0.00 -1.81 0.00 0.00 57.70 55.77 2wk3 n MET 799 Cb 0.60 -1.78 0.09 0.00 -0.71 0.00 0.00 33.22 31.42 2wk3 n MET 799 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2wk3 n GLN 800 N 0.02 0.74 0.00 0.03 6.02 0.53 -4.78 117.38 119.94 2wk3 n GLN 800 Ca 0.11 0.31 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 2wk3 n GLN 800 Cb 0.44 -2.44 0.00 0.00 1.02 0.00 0.00 30.24 29.26 2wk3 n GLN 800 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2wk3 n SER 801 N -2.22 0.00 -0.32 1.08 3.41 -1.26 -4.93 113.62 109.38 2wk3 n SER 801 Ca 0.15 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.90 2wk3 n SER 801 Cb 0.49 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.77 2wk3 n SER 801 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2wk3 h THR 802 N 0.29 0.49 0.10 6.66 2.02 -1.99 0.49 112.91 120.96 2wk3 h THR 802 Ca 0.00 -0.15 -0.27 0.00 0.77 0.00 0.00 66.41 66.75 2wk3 h THR 802 Cb 0.00 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 2wk3 h THR 802 CO 0.00 0.08 -1.43 0.77 0.37 0.00 0.00 175.52 175.31 2wk3 h SER 803 N 0.45 0.32 0.19 4.18 4.64 -1.96 -2.86 113.55 118.50 2wk3 h SER 803 Ca 0.59 -0.82 -0.06 0.00 -0.47 0.00 0.00 61.79 61.02 2wk3 h SER 803 Cb 1.13 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 2wk3 h SER 803 CO -0.52 1.62 -0.24 -0.33 -0.87 0.00 0.00 176.83 176.49 2wk3 h GLU 804 N -0.37 0.11 -0.03 4.77 4.39 -1.82 -1.14 114.58 120.49 2wk3 h GLU 804 Ca -0.32 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.35 2wk3 h GLU 804 Cb 1.71 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 30.35 2wk3 h GLU 804 CO 0.02 0.35 0.02 -0.91 -1.16 0.00 0.00 179.01 177.33 2wk3 h ASN 805 N 0.10 0.03 0.58 1.42 -0.26 -0.96 -2.53 115.58 113.95 2wk3 h ASN 805 Ca 0.02 -0.05 -0.16 0.00 -0.56 0.00 0.00 56.30 55.55 2wk3 h ASN 805 Cb 0.49 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.73 2wk3 h ASN 805 CO 0.03 0.07 -0.73 0.24 -1.06 0.00 0.00 177.43 175.99 2wk3 h MET 806 N -0.01 0.12 0.57 0.81 2.86 -1.28 0.66 114.93 118.66 2wk3 h MET 806 Ca 0.01 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 2wk3 h MET 806 Cb 0.04 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2wk3 h MET 806 CO -0.00 0.79 -0.42 0.74 1.06 0.00 0.00 176.91 179.08 2wk3 h PHE 807 N 0.08 -1.13 -0.55 -0.22 0.05 -1.17 -1.34 116.94 112.65 2wk3 h PHE 807 Ca -0.02 -0.00 0.08 0.00 3.82 0.00 0.00 57.97 61.85 2wk3 h PHE 807 Cb 1.28 0.42 -0.06 0.00 2.00 0.00 0.00 35.95 39.59 2wk3 h PHE 807 CO 0.01 -0.61 0.20 1.25 -0.18 0.00 0.00 178.31 178.98 2wk3 h LEU 808 N -0.96 0.20 -0.69 1.54 5.85 -1.44 -1.98 115.31 117.82 2wk3 h LEU 808 Ca -0.07 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2wk3 h LEU 808 Cb 0.81 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 2wk3 h LEU 808 CO 0.02 0.13 0.36 -0.33 -0.34 0.00 0.00 178.44 178.28 2wk3 h GLU 809 N 0.38 0.98 -0.36 1.25 5.08 -0.76 -0.98 114.58 120.16 2wk3 h GLU 809 Ca 0.27 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.35 2wk3 h GLU 809 Cb 0.31 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2wk3 h GLU 809 CO -0.27 0.75 -0.34 1.25 -1.00 0.00 0.00 179.01 179.40 2wk3 h LEU 810 N 0.95 0.93 -0.88 1.33 6.46 -0.96 0.78 115.31 123.92 2wk3 h LEU 810 Ca 0.24 -0.46 -0.04 0.00 -0.12 0.00 0.00 57.88 57.50 2wk3 h LEU 810 Cb 0.08 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 39.71 2wk3 h LEU 810 CO -0.03 1.20 0.32 0.15 -0.62 0.00 0.00 178.44 179.46 2wk3 h PHE 811 N 0.68 1.15 -0.43 1.25 3.04 -1.31 -1.04 116.94 120.27 2wk3 h PHE 811 Ca 0.06 -0.08 -0.10 0.00 3.98 0.00 0.00 57.97 61.83 2wk3 h PHE 811 Cb 0.93 -0.35 -0.02 0.00 2.56 0.00 0.00 35.95 39.08 2wk3 h PHE 811 CO 0.07 0.86 -0.13 0.00 -2.02 0.00 0.00 178.31 177.08 2wk3 h ALA 812 N 1.23 0.95 -0.75 2.41 0.00 -0.52 -1.87 119.26 120.71 2wk3 h ALA 812 Ca 0.26 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2wk3 h ALA 812 Cb 0.19 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2wk3 h ALA 812 CO -0.02 0.61 0.43 0.37 0.00 0.00 0.00 179.25 180.64 2wk3 h GLN 813 N 0.72 1.03 -0.00 0.00 5.75 -0.36 -0.29 115.11 121.96 2wk3 h GLN 813 Ca 0.12 -0.11 -0.15 0.00 -0.15 0.00 0.00 58.65 58.36 2wk3 h GLN 813 Cb 0.63 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 2wk3 h GLN 813 CO 0.04 0.75 -0.70 0.82 -2.65 0.00 0.00 178.83 177.09 2wk3 h ILE 814 N 1.03 1.50 -0.01 2.39 2.04 -0.83 -2.96 117.51 120.66 2wk3 h ILE 814 Ca 0.27 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.73 2wk3 h ILE 814 Cb 0.00 2.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 2wk3 h ILE 814 CO -0.05 0.68 -0.46 2.30 0.00 0.00 0.00 178.15 180.63 2wk3 n ILE 815 N -3.71 0.00 0.34 -0.67 -5.35 -0.74 -4.55 119.36 104.67 2wk3 n ILE 815 Ca -0.01 -0.22 -0.17 0.00 -0.27 0.00 0.00 62.75 62.08 2wk3 n ILE 815 Cb 0.69 1.06 -0.09 0.00 -1.74 0.00 0.00 39.64 39.56 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 2.06 -0.70 0.07 7.28 0.87 -0.89 0.58 113.55 122.82 2wk3 h SER 816 Ca 0.00 0.03 -0.22 0.00 -1.23 0.00 0.00 61.79 60.36 2wk3 h SER 816 Cb 0.69 0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.84 2wk3 h SER 816 CO 0.00 -0.50 -0.86 1.05 -0.53 0.00 0.00 176.83 175.99 2wk3 h GLU 817 N -0.82 0.61 -0.65 2.24 -0.00 -1.81 -3.14 114.58 111.01 2wk3 h GLU 817 Ca -0.08 -0.56 0.03 0.00 -0.00 0.00 0.00 59.36 58.75 2wk3 h GLU 817 Cb 0.63 0.14 -0.04 0.00 -0.00 0.00 0.00 28.75 29.48 2wk3 h GLU 817 CO 0.13 1.18 0.43 -1.35 -0.00 0.00 0.00 179.01 179.40 2wk3 h PRO 818 N 0.39 0.75 -0.42 1.06 0.11 -1.78 0.36 132.00 132.47 2wk3 h PRO 818 Ca -0.07 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.02 2wk3 h PRO 818 Cb 1.48 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.39 2wk3 h PRO 818 CO 0.16 0.50 0.24 0.00 -0.21 0.00 0.00 178.00 178.69 2wk3 h ALA 819 N 1.62 0.53 -0.14 -0.75 0.00 -0.85 0.14 119.26 119.81 2wk3 h ALA 819 Ca 0.26 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2wk3 h ALA 819 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2wk3 h ALA 819 CO -0.07 -0.10 0.03 0.35 0.00 0.00 0.00 179.25 179.46 2wk3 h PHE 820 N 0.48 0.23 -0.50 0.00 3.57 -1.19 -0.13 116.94 119.41 2wk3 h PHE 820 Ca 0.17 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 2wk3 h PHE 820 Cb 0.03 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2wk3 h PHE 820 CO -0.08 0.37 0.21 -0.97 -2.23 0.00 0.00 178.31 175.62 2wk3 h ASN 821 N 0.02 0.64 0.00 0.41 -0.73 0.13 -1.56 115.58 114.49 2wk3 h ASN 821 Ca 0.04 -0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.15 2wk3 h ASN 821 Cb 0.26 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.69 2wk3 h ASN 821 CO 0.00 0.56 -0.10 0.74 -0.37 0.00 0.00 177.43 178.27 2wk3 h THR 822 N 0.70 0.00 0.00 -3.57 2.02 -0.60 0.50 112.91 111.96 2wk3 h THR 822 Ca 0.17 -0.84 -0.06 0.00 0.77 0.00 0.00 66.41 66.45 2wk3 h THR 822 Cb 0.12 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 2wk3 h THR 822 CO -0.02 0.00 -0.30 -0.07 0.37 0.00 0.00 175.52 175.50 2wk3 h LEU 823 N -0.84 0.00 0.00 2.58 4.07 -1.10 -0.79 115.31 119.23 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 0.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.84 2wk3 h LEU 823 CO 0.00 0.30 -0.24 -1.14 -1.08 0.00 0.00 178.44 176.28 2wk3 n ARG 824 N -3.93 0.13 -0.05 1.13 0.63 -0.63 -0.90 116.66 113.05 2wk3 n ARG 824 Ca -0.02 0.05 -0.09 0.00 -0.92 0.00 0.00 57.85 56.88 2wk3 n ARG 824 Cb 0.37 -0.63 -0.02 0.00 0.45 0.00 0.00 32.46 32.63 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 -0.24 0.97 0.02 5.15 2.02 -1.07 1.25 112.91 121.00 2wk3 h THR 825 Ca 0.00 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 2wk3 h THR 825 Cb 0.24 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2wk3 h THR 825 CO 0.00 0.04 -0.01 0.11 0.37 0.00 0.00 175.52 176.03 2wk3 h LYS 826 N 0.21 -0.02 0.00 6.66 1.57 -0.03 -3.39 116.57 121.56 2wk3 h LYS 826 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2wk3 h LYS 826 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2wk3 h LYS 826 CO -0.08 0.74 -1.32 0.39 -0.57 0.00 0.00 179.45 178.61 2wk3 n GLU 827 N -4.69 0.41 -3.69 3.15 1.02 -0.30 -4.98 120.64 111.55 2wk3 n GLU 827 Ca -0.08 -0.05 -0.22 0.00 -0.02 0.00 0.00 57.16 56.79 2wk3 n GLU 827 Cb 0.37 -1.59 0.03 0.00 -0.02 0.00 0.00 31.44 30.24 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 -2.09 -4.62 0.12 3.49 1.13 0.43 -4.87 117.38 110.97 2wk3 n GLN 828 Ca 0.00 0.62 -0.02 0.00 -1.94 0.00 0.00 57.00 55.65 2wk3 n GLN 828 Cb 0.48 -5.13 0.17 0.00 0.11 0.00 0.00 30.24 25.86 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 -1.84 0.10 0.00 1.08 3.38 -1.19 -3.48 115.31 113.36 2wk3 h LEU 829 Ca -0.61 -0.06 0.38 0.00 0.09 0.00 0.00 57.88 57.68 2wk3 h LEU 829 Cb 1.36 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 42.01 2wk3 h LEU 829 CO 0.56 0.67 0.95 0.61 0.09 0.00 0.00 178.44 181.32 2wk3 n GLY 830 N 0.20 0.14 0.14 0.83 0.00 -1.26 -4.02 105.19 101.22 2wk3 n GLY 830 Ca -0.02 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.74 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 1.97 0.90 -3.29 1.61 3.20 -1.81 -3.42 116.97 116.15 2wk3 h TYR 831 Ca -0.20 -0.66 -0.65 0.00 3.14 0.00 0.00 58.73 60.37 2wk3 h TYR 831 Cb 1.15 -0.04 -0.15 0.00 1.54 0.00 0.00 36.73 39.23 2wk3 h TYR 831 CO 0.00 1.54 0.30 0.42 -1.64 0.00 0.00 178.16 178.78 2wk3 s ILE 832 N -2.57 4.65 -0.17 1.81 1.01 -1.26 -4.99 121.20 119.68 2wk3 s ILE 832 Ca -0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 60.65 60.50 2wk3 s ILE 832 Cb 0.04 -4.40 0.04 0.00 0.01 0.00 0.00 42.46 38.15 2wk3 s ILE 832 CO 0.92 -0.91 -0.06 -0.69 0.00 0.00 0.00 174.94 174.20 2wk3 s VAL 833 N 3.26 1.19 0.04 2.92 1.01 -1.26 -2.23 120.40 125.32 2wk3 s VAL 833 Ca 0.23 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.61 2wk3 s VAL 833 Cb -0.15 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 2wk3 s VAL 833 CO 0.16 0.15 -0.17 0.12 0.00 0.00 0.00 175.10 175.37 2wk3 s PHE 834 N 1.60 1.48 0.06 5.22 5.36 0.21 -4.85 117.98 127.06 2wk3 s PHE 834 Ca 0.01 -0.36 -0.09 0.00 -0.96 0.00 0.00 56.93 55.53 2wk3 s PHE 834 Cb -0.15 -0.88 0.00 0.00 -0.34 0.00 0.00 43.02 41.65 2wk3 s PHE 834 CO -0.08 0.06 0.20 -1.54 -1.46 0.00 0.00 175.22 172.40 2wk3 s SER 835 N -1.14 0.06 0.00 6.13 1.04 -1.26 -0.95 113.70 117.59 2wk3 s SER 835 Ca 0.04 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.00 2wk3 s SER 835 Cb -0.08 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2wk3 s SER 835 CO 0.01 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.21 2wk3 n GLY 836 N 0.37 -1.31 3.77 7.32 0.00 -0.96 -4.99 105.19 109.39 2wk3 n GLY 836 Ca -0.17 -1.45 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.88 3.89 -0.15 1.61 0.02 -1.26 -1.25 135.00 135.97 2wk3 s PRO 837 Ca 0.00 2.08 -0.03 0.00 0.02 0.00 0.00 61.00 63.07 2wk3 s PRO 837 Cb 0.00 -2.67 -0.03 0.00 0.02 0.00 0.00 34.50 31.83 2wk3 s PRO 837 CO 0.00 -0.54 -0.05 0.50 -0.33 0.00 0.00 177.00 176.58 2wk3 s ARG 838 N -2.35 3.62 -0.12 5.54 3.52 0.45 -4.78 118.95 124.82 2wk3 s ARG 838 Ca 0.59 -0.55 0.02 0.00 -0.13 0.00 0.00 55.73 55.66 2wk3 s ARG 838 Cb -0.36 -2.87 0.01 0.00 -1.56 0.00 0.00 34.95 30.17 2wk3 s ARG 838 CO 0.46 0.23 -0.18 1.03 -0.81 0.00 0.00 175.30 176.03 2wk3 s ARG 839 N 0.37 2.55 -0.20 5.12 3.00 -1.26 -1.62 118.95 126.91 2wk3 s ARG 839 Ca -0.05 -0.68 -0.22 0.00 0.00 0.00 0.00 55.73 54.77 2wk3 s ARG 839 Cb -0.14 -2.12 0.06 0.00 0.00 0.00 0.00 34.95 32.74 2wk3 s ARG 839 CO 0.03 -0.05 0.61 0.00 0.00 0.00 0.00 175.30 175.90 2wk3 s ALA 840 N 0.94 -1.53 -1.25 2.13 0.00 -0.06 -4.94 121.76 117.04 2wk3 s ALA 840 Ca -0.06 1.63 -0.04 0.00 0.00 0.00 0.00 51.96 53.49 2wk3 s ALA 840 Cb -0.15 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.15 2wk3 s ALA 840 CO -0.02 -0.30 0.25 0.09 0.00 0.00 0.00 175.76 175.78 2wk3 n ASN 841 N 2.45 -4.32 0.00 0.00 3.02 -1.26 -0.20 115.26 114.95 2wk3 n ASN 841 Ca -0.15 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 2wk3 n ASN 841 Cb 0.56 -3.60 0.00 0.00 -0.61 0.00 0.00 39.78 36.13 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 -1.05 1.94 3.91 7.41 0.00 -1.26 -4.49 105.19 111.64 2wk3 n GLY 842 Ca -0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.63 2.68 0.27 -0.61 -1.09 0.72 -0.35 121.20 120.18 2wk3 s ILE 843 Ca 0.00 -1.27 -0.19 0.00 -2.23 0.00 0.00 60.65 56.97 2wk3 s ILE 843 Cb 0.00 -2.94 0.01 0.00 -1.58 0.00 0.00 42.46 37.95 2wk3 s ILE 843 CO 0.00 0.00 0.64 0.00 -1.23 0.00 0.00 174.94 174.35 2wk3 s GLN 844 N -4.20 1.71 0.00 2.79 -2.07 -1.21 -0.88 119.66 115.80 2wk3 s GLN 844 Ca 0.49 -1.06 0.00 0.00 -1.82 0.00 0.00 55.36 52.97 2wk3 s GLN 844 Cb -0.05 0.57 0.00 0.00 -1.09 0.00 0.00 33.01 32.44 2wk3 s GLN 844 CO 0.29 -0.76 0.00 0.41 -1.32 0.00 0.00 175.29 173.91 2wk3 n GLY 845 N -0.43 0.63 3.44 2.60 0.00 -0.64 -0.15 105.19 110.64 2wk3 n GLY 845 Ca -0.04 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 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 2.64 0.10 0.99 0.20 -0.47 -0.41 118.68 121.72 2wk3 s LEU 846 Ca 0.00 -0.25 0.04 0.00 0.69 0.00 0.00 54.13 54.61 2wk3 s LEU 846 Cb 0.00 -1.53 -0.04 0.00 -0.43 0.00 0.00 46.19 44.19 2wk3 s LEU 846 CO 0.00 0.32 -0.10 0.00 -0.29 0.00 0.00 176.35 176.28 2wk3 s ARG 847 N -0.58 0.84 -0.12 1.98 1.70 -0.38 -0.33 118.95 122.05 2wk3 s ARG 847 Ca 0.08 -1.17 0.03 0.00 -0.47 0.00 0.00 55.73 54.21 2wk3 s ARG 847 Cb -0.11 -0.51 0.00 0.00 -0.57 0.00 0.00 34.95 33.76 2wk3 s ARG 847 CO 0.01 0.07 -0.23 -0.06 -1.08 0.00 0.00 175.30 174.02 2wk3 s PHE 848 N -2.51 2.62 -0.08 5.89 0.40 -0.62 -2.27 117.98 121.40 2wk3 s PHE 848 Ca 0.06 -1.19 0.04 0.00 -0.60 0.00 0.00 56.93 55.24 2wk3 s PHE 848 Cb -0.02 -1.76 -0.00 0.00 0.51 0.00 0.00 43.02 41.74 2wk3 s PHE 848 CO -0.00 -0.51 -0.23 0.42 0.70 0.00 0.00 175.22 175.59 2wk3 s ILE 849 N 0.57 1.97 -0.03 0.64 1.01 -0.12 -1.07 121.20 124.17 2wk3 s ILE 849 Ca -0.13 -0.98 -0.03 0.00 0.00 0.00 0.00 60.65 59.51 2wk3 s ILE 849 Cb -0.17 -1.70 0.01 0.00 0.01 0.00 0.00 42.46 40.61 2wk3 s ILE 849 CO 0.04 0.54 0.08 -0.63 0.00 0.00 0.00 174.94 174.97 2wk3 s ILE 850 N 0.22 0.01 -0.08 2.92 1.01 -0.96 0.64 121.20 124.95 2wk3 s ILE 850 Ca -0.14 -0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.49 2wk3 s ILE 850 Cb -0.16 -0.14 -0.00 0.00 0.01 0.00 0.00 42.46 42.17 2wk3 s ILE 850 CO 0.07 -0.04 -0.22 -1.58 0.00 0.00 0.00 174.94 173.18 2wk3 s GLN 851 N -0.07 2.61 0.22 2.79 0.74 -0.95 -1.19 119.66 123.81 2wk3 s GLN 851 Ca -0.01 -0.79 -0.13 0.00 0.05 0.00 0.00 55.36 54.47 2wk3 s GLN 851 Cb -0.01 -2.06 0.00 0.00 1.10 0.00 0.00 33.01 32.04 2wk3 s GLN 851 CO 0.00 0.21 0.46 0.45 -0.55 0.00 0.00 175.29 175.86 2wk3 s SER 852 N 0.23 -0.11 0.14 6.67 0.15 -0.51 -4.10 113.70 116.17 2wk3 s SER 852 Ca -0.13 -0.82 0.17 0.00 0.70 0.00 0.00 55.95 55.87 2wk3 s SER 852 Cb -0.16 0.56 -0.07 0.00 -1.71 0.00 0.00 66.02 64.65 2wk3 s SER 852 CO 0.06 -1.08 1.01 -0.08 1.20 0.00 0.00 173.24 174.35 2wk3 h GLU 853 N 2.29 0.00 -7.21 5.44 4.81 -1.88 0.37 114.58 118.40 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 1.25 0.00 0.10 0.00 0.63 0.00 0.00 28.75 30.73 2wk3 h GLU 853 CO 0.38 0.30 0.37 0.15 -0.73 0.00 0.00 179.01 179.47 2wk3 s LYS 854 N -2.99 2.78 0.39 1.92 -0.14 -1.26 -4.72 119.74 115.71 2wk3 s LYS 854 Ca -0.01 1.35 -0.24 0.00 -1.36 0.00 0.00 55.97 55.71 2wk3 s LYS 854 Cb 0.08 -1.95 -0.09 0.00 -1.68 0.00 0.00 37.83 34.19 2wk3 s LYS 854 CO 0.79 -1.26 1.04 -2.14 -0.76 0.00 0.00 175.35 173.02 2wk3 s PRO 855 N -4.19 4.22 0.28 -1.68 0.02 -1.26 -4.66 135.00 127.74 2wk3 s PRO 855 Ca 0.66 1.51 0.02 0.00 0.02 0.00 0.00 61.00 63.21 2wk3 s PRO 855 Cb -0.20 -2.59 0.61 0.00 0.02 0.00 0.00 34.50 32.33 2wk3 s PRO 855 CO 0.43 -0.09 1.78 -1.35 -0.33 0.00 0.00 177.00 177.44 2wk3 h PRO 856 N 2.61 0.71 -0.47 5.54 0.11 -1.92 0.90 132.00 139.49 2wk3 h PRO 856 Ca -0.48 -0.04 0.14 0.00 0.11 0.00 0.00 66.00 65.72 2wk3 h PRO 856 Cb 1.21 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 2wk3 h PRO 856 CO 0.63 0.47 0.36 1.12 -0.21 0.00 0.00 178.00 180.37 2wk3 h HIS 857 N 0.73 0.00 0.02 0.65 2.07 -2.00 0.25 115.15 116.86 2wk3 h HIS 857 Ca 0.51 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.99 2wk3 h HIS 857 Cb 0.71 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.70 2wk3 h HIS 857 CO -0.05 0.00 -0.17 -0.92 -3.07 0.00 0.00 177.93 173.72 2wk3 h TYR 858 N 0.00 0.14 -0.80 6.12 3.20 -1.22 -2.95 116.97 121.46 2wk3 h TYR 858 Ca 0.22 -0.09 0.17 0.00 3.14 0.00 0.00 58.73 62.18 2wk3 h TYR 858 Cb 0.95 -0.01 -0.11 0.00 1.54 0.00 0.00 36.73 39.10 2wk3 h TYR 858 CO 0.00 0.96 0.30 -0.07 -1.64 0.00 0.00 178.16 177.72 2wk3 h LEU 859 N -0.72 0.23 -0.24 2.82 4.07 -0.45 -1.94 115.31 119.08 2wk3 h LEU 859 Ca -0.03 0.13 0.05 0.00 0.08 0.00 0.00 57.88 58.12 2wk3 h LEU 859 Cb 1.02 0.13 -0.05 0.00 1.08 0.00 0.00 40.66 42.85 2wk3 h LEU 859 CO 0.03 0.04 -0.07 -0.08 -1.08 0.00 0.00 178.44 177.28 2wk3 h GLU 860 N 0.39 -0.02 0.00 1.13 4.57 -0.96 -0.97 114.58 118.72 2wk3 h GLU 860 Ca 0.47 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.60 2wk3 h GLU 860 Cb 0.79 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.38 2wk3 h GLU 860 CO -0.48 -0.01 -0.22 0.66 -1.18 0.00 0.00 179.01 177.79 2wk3 h SER 861 N -0.02 0.00 0.52 1.04 4.64 -1.23 -0.94 113.55 117.56 2wk3 h SER 861 Ca 0.12 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.25 2wk3 h SER 861 Cb 0.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 2wk3 h SER 861 CO -0.25 0.22 -0.80 0.03 -0.87 0.00 0.00 176.83 175.16 2wk3 h ARG 862 N 0.00 0.21 -0.62 4.77 2.47 -0.58 -0.50 114.38 120.13 2wk3 h ARG 862 Ca -0.00 -0.20 -0.04 0.00 -1.26 0.00 0.00 59.98 58.48 2wk3 h ARG 862 Cb 0.49 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.84 2wk3 h ARG 862 CO 0.03 0.90 0.24 0.28 0.56 0.00 0.00 179.97 181.98 2wk3 h VAL 863 N 0.13 1.23 -0.41 2.04 2.07 -0.75 0.27 116.25 120.83 2wk3 h VAL 863 Ca -0.03 -0.74 -0.08 0.00 0.82 0.00 0.00 66.70 66.67 2wk3 h VAL 863 Cb 1.39 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2wk3 h VAL 863 CO 0.12 0.29 -0.04 -0.33 0.02 0.00 0.00 177.57 177.63 2wk3 h GLU 864 N 0.87 0.75 -0.49 1.57 4.39 -1.08 -0.65 114.58 119.94 2wk3 h GLU 864 Ca 0.21 -0.26 0.10 0.00 0.34 0.00 0.00 59.36 59.74 2wk3 h GLU 864 Cb 0.22 -0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 28.73 2wk3 h GLU 864 CO -0.02 0.85 -0.01 0.00 -1.16 0.00 0.00 179.01 178.68 2wk3 h ALA 865 N 0.87 0.46 -0.87 3.43 0.00 -0.94 -1.74 119.26 120.46 2wk3 h ALA 865 Ca 0.11 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.20 2wk3 h ALA 865 Cb 0.54 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 2wk3 h ALA 865 CO 0.03 -0.39 0.58 0.35 0.00 0.00 0.00 179.25 179.81 2wk3 h PHE 866 N 0.11 1.07 -0.43 0.00 3.57 0.46 -2.22 116.94 119.50 2wk3 h PHE 866 Ca 0.25 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.67 2wk3 h PHE 866 Cb 0.37 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 2wk3 h PHE 866 CO -0.32 0.64 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.17 2wk3 h LEU 867 N 1.13 0.81 0.21 0.59 4.07 -0.27 -1.10 115.31 120.76 2wk3 h LEU 867 Ca 0.34 -0.27 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 2wk3 h LEU 867 Cb -0.04 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.48 2wk3 h LEU 867 CO -0.09 0.98 -0.10 0.40 -1.08 0.00 0.00 178.44 178.54 2wk3 h ILE 868 N 0.72 0.81 -0.92 1.22 2.04 -0.95 -1.85 117.51 118.59 2wk3 h ILE 868 Ca 0.11 -0.12 0.23 0.00 1.00 0.00 0.00 64.86 66.08 2wk3 h ILE 868 Cb 0.67 0.89 -0.17 0.00 -0.74 0.00 0.00 36.82 37.47 2wk3 h ILE 868 CO 0.05 0.03 0.00 0.74 0.00 0.00 0.00 178.15 178.97 2wk3 h THR 869 N -0.35 0.13 -0.85 -0.27 2.02 -1.05 -1.16 112.91 111.39 2wk3 h THR 869 Ca -0.03 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 2wk3 h THR 869 Cb 0.27 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 66.71 2wk3 h THR 869 CO 0.05 0.01 0.40 0.24 0.37 0.00 0.00 175.52 176.58 2wk3 h MET 870 N 0.05 1.22 -0.33 6.66 2.86 -0.69 0.48 114.93 125.18 2wk3 h MET 870 Ca 0.53 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.97 2wk3 h MET 870 Cb 1.02 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 2wk3 h MET 870 CO -0.84 0.94 0.15 1.49 1.06 0.00 0.00 176.91 179.71 2wk3 h GLU 871 N 1.21 0.47 -0.49 1.72 4.81 -0.42 -1.93 114.58 119.95 2wk3 h GLU 871 Ca 0.29 -0.07 0.10 0.00 -0.13 0.00 0.00 59.36 59.54 2wk3 h GLU 871 Cb 0.13 -0.08 -0.10 0.00 0.63 0.00 0.00 28.75 29.33 2wk3 h GLU 871 CO -0.03 0.44 -0.28 0.87 -0.73 0.00 0.00 179.01 179.28 2wk3 h LYS 872 N 0.39 -0.16 -0.99 1.92 1.57 -1.20 -1.28 116.57 116.81 2wk3 h LYS 872 Ca 0.11 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.00 2wk3 h LYS 872 Cb 0.13 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.40 2wk3 h LYS 872 CO -0.01 -0.11 0.63 1.03 -0.57 0.00 0.00 179.45 180.42 2wk3 h SER 873 N -0.17 0.95 0.31 0.86 0.87 -0.54 0.23 113.55 116.07 2wk3 h SER 873 Ca 0.22 0.03 -0.18 0.00 -1.23 0.00 0.00 61.79 60.62 2wk3 h SER 873 Cb 0.52 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2wk3 h SER 873 CO -0.59 0.56 -0.74 0.40 -0.53 0.00 0.00 176.83 175.92 2wk3 h ILE 874 N 1.05 1.39 0.57 2.23 2.04 -0.57 -0.73 117.51 123.49 2wk3 h ILE 874 Ca 0.46 -2.19 -0.03 0.00 1.00 0.00 0.00 64.86 64.10 2wk3 h ILE 874 Cb 0.35 2.15 0.01 0.00 -0.74 0.00 0.00 36.82 38.59 2wk3 h ILE 874 CO -0.21 0.65 -0.27 -0.33 0.00 0.00 0.00 178.15 177.99 2wk3 h GLU 875 N 0.24 -0.73 0.00 2.37 5.08 -0.70 -3.18 114.58 117.65 2wk3 h GLU 875 Ca -0.03 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2wk3 h GLU 875 Cb 1.32 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.73 2wk3 h GLU 875 CO 0.12 -0.46 0.00 -0.25 -1.00 0.00 0.00 179.01 177.42 2wk3 n ASP 876 N -5.39 0.38 -4.84 1.42 10.43 0.77 -4.85 116.55 114.47 2wk3 n ASP 876 Ca -0.12 0.63 -0.34 0.00 2.57 0.00 0.00 54.79 57.53 2wk3 n ASP 876 Cb 0.32 -0.70 -0.06 0.00 1.84 0.00 0.00 41.12 42.53 2wk3 n ASP 876 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2wk3 s MET 877 N -3.26 4.07 0.66 -1.24 0.23 -0.29 -5.04 119.30 114.43 2wk3 s MET 877 Ca 0.02 0.70 -0.16 0.00 -1.03 0.00 0.00 55.69 55.22 2wk3 s MET 877 Cb 0.07 -2.65 0.00 0.00 -1.53 0.00 0.00 34.83 30.72 2wk3 s MET 877 CO 0.24 0.28 1.16 0.95 -2.03 0.00 0.00 175.02 175.62 2wk3 s THR 878 N -1.77 2.82 0.28 3.16 -4.23 -1.26 -4.83 115.64 109.81 2wk3 s THR 878 Ca 0.48 0.42 0.02 0.00 -1.18 0.00 0.00 61.69 61.43 2wk3 s THR 878 Cb -0.13 -3.00 0.29 0.00 1.34 0.00 0.00 72.50 70.99 2wk3 s THR 878 CO 0.19 -0.19 1.68 -0.08 -0.54 0.00 0.00 174.62 175.67 2wk3 h GLU 879 N 0.20 0.30 0.04 3.99 4.57 -1.97 -0.97 114.58 120.74 2wk3 h GLU 879 Ca -0.48 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 57.68 2wk3 h GLU 879 Cb 1.27 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 2wk3 h GLU 879 CO 0.53 0.20 -0.02 0.93 -1.18 0.00 0.00 179.01 179.47 2wk3 h GLU 880 N 0.31 -0.05 -0.99 1.92 4.39 -1.99 0.23 114.58 118.40 2wk3 h GLU 880 Ca 0.53 0.00 0.20 0.00 0.34 0.00 0.00 59.36 60.43 2wk3 h GLU 880 Cb 1.02 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 29.58 2wk3 h GLU 880 CO -0.57 0.19 0.62 0.00 -1.16 0.00 0.00 179.01 178.08 2wk3 h ALA 881 N 0.67 1.82 -0.29 3.43 0.00 -1.79 0.60 119.26 123.70 2wk3 h ALA 881 Ca -0.01 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2wk3 h ALA 881 Cb 0.26 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2wk3 h ALA 881 CO 0.01 -0.18 0.18 0.35 0.00 0.00 0.00 179.25 179.61 2wk3 h PHE 882 N 0.67 0.34 0.00 0.00 3.57 -0.19 -2.89 116.94 118.45 2wk3 h PHE 882 Ca 0.56 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 62.01 2wk3 h PHE 882 Cb 1.00 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 2wk3 h PHE 882 CO -0.00 0.21 -0.27 1.96 -2.23 0.00 0.00 178.31 177.97 2wk3 h GLN 883 N 0.37 0.00 -0.20 1.11 1.08 0.11 -2.45 115.11 115.13 2wk3 h GLN 883 Ca 0.11 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.24 2wk3 h GLN 883 Cb -0.03 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.40 2wk3 h GLN 883 CO -0.04 0.27 -0.15 0.87 -0.95 0.00 0.00 178.83 178.83 2wk3 h LYS 884 N 0.00 0.46 -1.00 1.46 1.57 -1.00 -0.92 116.57 117.14 2wk3 h LYS 884 Ca -0.00 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.57 2wk3 h LYS 884 Cb 0.64 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.89 2wk3 h LYS 884 CO 0.04 0.78 0.66 0.45 -0.57 0.00 0.00 179.45 180.81 2wk3 h HIS 885 N 0.14 1.25 -0.65 -1.35 3.86 -1.29 0.23 115.15 117.34 2wk3 h HIS 885 Ca 0.04 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.29 2wk3 h HIS 885 Cb 0.68 -0.42 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 2wk3 h HIS 885 CO 0.07 0.77 0.43 0.82 0.86 0.00 0.00 177.93 180.89 2wk3 h ILE 886 N 1.33 1.16 -0.61 2.45 2.04 -1.13 -1.99 117.51 120.77 2wk3 h ILE 886 Ca 0.37 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.83 2wk3 h ILE 886 Cb -0.12 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.14 2wk3 h ILE 886 CO -0.09 0.16 -0.01 -0.61 0.00 0.00 0.00 178.15 177.60 2wk3 h GLN 887 N 0.88 1.08 -0.20 2.37 5.75 -0.21 -1.03 115.11 123.74 2wk3 h GLN 887 Ca 0.24 -0.35 -0.04 0.00 -0.15 0.00 0.00 58.65 58.36 2wk3 h GLN 887 Cb -0.09 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.35 2wk3 h GLN 887 CO -0.06 1.05 -0.02 0.00 -2.65 0.00 0.00 178.83 177.16 2wk3 h ALA 888 N 0.99 0.27 -0.45 3.38 0.00 -0.39 0.59 119.26 123.64 2wk3 h ALA 888 Ca 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2wk3 h ALA 888 Cb 0.57 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2wk3 h ALA 888 CO 0.03 0.01 0.29 1.25 0.00 0.00 0.00 179.25 180.83 2wk3 h LEU 889 N 0.11 0.53 0.06 0.00 6.46 -1.25 -1.63 115.31 119.59 2wk3 h LEU 889 Ca 0.05 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2wk3 h LEU 889 Cb 0.44 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 2wk3 h LEU 889 CO 0.01 0.40 -0.03 0.00 -0.62 0.00 0.00 178.44 178.20 2wk3 h ALA 890 N 1.70 -0.08 -0.85 1.25 0.00 -0.44 0.62 119.26 121.45 2wk3 h ALA 890 Ca 0.17 -0.29 0.20 0.00 0.00 0.00 0.00 54.91 54.99 2wk3 h ALA 890 Cb -0.05 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.66 2wk3 h ALA 890 CO -0.03 -0.23 0.33 0.82 0.00 0.00 0.00 179.25 180.14 2wk3 h ILE 891 N -0.73 0.49 -0.54 0.00 1.08 -0.82 -0.40 117.51 116.59 2wk3 h ILE 891 Ca -0.01 -0.13 -0.09 0.00 -0.39 0.00 0.00 64.86 64.24 2wk3 h ILE 891 Cb 0.60 0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 34.41 2wk3 h ILE 891 CO 0.01 0.07 -0.02 0.03 -0.69 0.00 0.00 178.15 177.55 2wk3 h ARG 892 N 0.37 0.97 0.00 2.37 3.08 -0.77 -2.54 114.38 117.86 2wk3 h ARG 892 Ca 0.52 -0.32 -0.10 0.00 0.07 0.00 0.00 59.98 60.14 2wk3 h ARG 892 Cb 0.95 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 2wk3 h ARG 892 CO -0.52 0.99 -0.48 0.00 -1.07 0.00 0.00 179.97 178.89 2wk3 h ARG 893 N 0.85 0.00 -0.15 0.04 2.47 -0.43 -3.24 114.38 113.92 2wk3 h ARG 893 Ca 0.15 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 2wk3 h ARG 893 Cb 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 2wk3 h ARG 893 CO 0.03 0.48 0.00 1.28 0.56 0.00 0.00 179.97 182.33 2wk3 n LEU 894 N -3.79 2.55 -4.65 3.04 4.77 -0.20 -4.93 117.00 113.80 2wk3 n LEU 894 Ca -0.01 -0.97 -0.42 0.00 -0.03 0.00 0.00 56.01 54.58 2wk3 n LEU 894 Cb 0.53 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 2wk3 n LEU 894 CO 0.40 0.48 1.45 -0.62 -1.33 0.00 0.00 177.39 177.77 2wk3 s ASP 895 N -1.78 6.45 0.24 -1.43 2.15 -0.98 -4.94 116.67 116.38 2wk3 s ASP 895 Ca 0.34 2.14 -0.30 0.00 0.43 0.00 0.00 52.55 55.15 2wk3 s ASP 895 Cb 0.20 -2.53 -0.10 0.00 -0.30 0.00 0.00 42.92 40.19 2wk3 s ASP 895 CO 0.30 -1.12 1.45 -0.54 -0.17 0.00 0.00 175.17 175.09 2wk3 s LYS 896 N 4.47 4.26 0.35 4.34 1.02 -1.26 -4.99 119.74 127.93 2wk3 s LYS 896 Ca 0.78 2.31 -0.27 0.00 0.02 0.00 0.00 55.97 58.81 2wk3 s LYS 896 Cb -0.33 -3.11 -0.12 0.00 -0.52 0.00 0.00 37.83 33.75 2wk3 s LYS 896 CO 0.32 -0.44 1.16 -2.30 -0.92 0.00 0.00 175.35 173.18 2wk3 n PRO 897 N 2.43 1.77 0.01 -1.68 -0.02 -1.26 -4.93 135.00 131.32 2wk3 n PRO 897 Ca 0.07 0.62 0.11 0.00 -2.02 0.00 0.00 63.50 62.28 2wk3 n PRO 897 Cb 0.40 -2.16 -0.11 0.00 -0.02 0.00 0.00 33.50 31.61 2wk3 n PRO 897 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wk3 n LYS 898 N 0.46 0.46 -4.12 -0.52 4.76 -1.26 -4.97 118.16 112.97 2wk3 n LYS 898 Ca 0.07 -0.10 -0.10 0.00 -2.87 0.00 0.00 58.31 55.31 2wk3 n LYS 898 Cb 0.36 -1.55 -0.10 0.00 -1.84 0.00 0.00 35.03 31.89 2wk3 n LYS 898 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2wk3 s LYS 899 N -3.35 0.71 0.24 1.97 -2.85 -1.26 -4.29 119.74 110.90 2wk3 s LYS 899 Ca -0.02 -1.21 -0.10 0.00 -1.00 0.00 0.00 55.97 53.64 2wk3 s LYS 899 Cb 0.14 -0.06 0.35 0.00 -2.06 0.00 0.00 37.83 36.20 2wk3 s LYS 899 CO 0.87 -0.04 1.62 1.25 0.10 0.00 0.00 175.35 179.15 2wk3 h LEU 900 N 3.25 -0.54 0.00 2.77 5.85 -1.95 -1.95 115.31 122.74 2wk3 h LEU 900 Ca -0.35 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2wk3 h LEU 900 Cb 1.16 0.41 0.00 0.00 0.37 0.00 0.00 40.66 42.60 2wk3 h LEU 900 CO 0.62 -0.22 -0.04 0.77 -0.34 0.00 0.00 178.44 179.23 2wk3 h SER 901 N 0.04 0.00 0.17 1.25 4.64 -1.98 0.24 113.55 117.91 2wk3 h SER 901 Ca 0.37 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.56 2wk3 h SER 901 Cb 0.61 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 2wk3 h SER 901 CO -0.72 0.00 -0.47 0.00 -0.87 0.00 0.00 176.83 174.78 2wk3 h ALA 902 N 2.26 0.94 0.04 5.18 0.00 -1.79 -0.82 119.26 125.07 2wk3 h ALA 902 Ca 0.00 -0.46 -0.26 0.00 0.00 0.00 0.00 54.91 54.19 2wk3 h ALA 902 Cb 0.87 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.58 2wk3 h ALA 902 CO 0.00 0.65 -1.07 1.49 0.00 0.00 0.00 179.25 180.31 2wk3 h GLU 903 N 0.29 0.53 -0.76 0.00 4.81 -0.65 -2.84 114.58 115.96 2wk3 h GLU 903 Ca 0.02 -0.63 0.00 0.00 -0.13 0.00 0.00 59.36 58.62 2wk3 h GLU 903 Cb 0.93 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 2wk3 h GLU 903 CO 0.08 1.24 0.48 0.77 -0.73 0.00 0.00 179.01 180.85 2wk3 h SER 904 N 0.28 0.89 -0.91 1.04 0.02 -0.55 -2.28 113.55 112.05 2wk3 h SER 904 Ca -0.12 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2wk3 h SER 904 Cb 1.73 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 64.00 2wk3 h SER 904 CO 0.20 0.68 0.56 0.00 -1.14 0.00 0.00 176.83 177.12 2wk3 h ALA 905 N 1.26 1.27 0.09 3.77 0.00 -1.03 0.34 119.26 124.96 2wk3 h ALA 905 Ca 0.27 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2wk3 h ALA 905 Cb -0.07 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.35 2wk3 h ALA 905 CO -0.05 0.63 -0.04 0.87 0.00 0.00 0.00 179.25 180.65 2wk3 h LYS 906 N 1.25 -0.12 -0.37 0.00 1.57 -1.22 -1.28 116.57 116.39 2wk3 h LYS 906 Ca 0.33 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 2wk3 h LYS 906 Cb -0.07 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2wk3 h LYS 906 CO -0.06 -0.08 0.21 1.88 -0.57 0.00 0.00 179.45 180.83 2wk3 h TYR 907 N -0.13 0.50 -0.69 -1.35 0.99 -0.41 -2.72 116.97 113.17 2wk3 h TYR 907 Ca -0.01 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.71 2wk3 h TYR 907 Cb 0.10 -0.16 -0.03 0.00 1.00 0.00 0.00 36.73 37.63 2wk3 h TYR 907 CO -0.07 0.38 0.45 2.35 -0.00 0.00 0.00 178.16 181.27 2wk3 h TRP 908 N 0.48 0.87 -0.72 4.88 -0.00 -0.35 0.85 115.95 121.96 2wk3 h TRP 908 Ca 0.13 0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 59.01 2wk3 h TRP 908 Cb 0.04 -0.29 -0.03 0.00 -0.00 0.00 0.00 29.16 28.87 2wk3 h TRP 908 CO -0.03 0.55 0.32 0.78 -0.00 0.00 0.00 178.44 180.07 2wk3 h GLY 909 N 0.94 1.11 1.27 2.65 0.00 -0.94 0.19 103.07 108.29 2wk3 h GLY 909 Ca 0.25 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 2wk3 h GLY 909 CO -0.05 0.53 0.10 0.83 0.00 0.00 0.00 176.54 177.95 2wk3 h GLU 910 N 1.03 0.91 0.10 4.80 4.39 -0.63 -2.23 114.58 122.94 2wk3 h GLU 910 Ca 0.25 -0.21 -0.16 0.00 0.34 0.00 0.00 59.36 59.57 2wk3 h GLU 910 Cb 0.14 -0.12 0.02 0.00 -0.10 0.00 0.00 28.75 28.69 2wk3 h GLU 910 CO -0.03 0.84 -0.71 0.82 -1.16 0.00 0.00 179.01 178.77 2wk3 h ILE 911 N 0.86 1.52 0.00 3.13 2.04 -0.40 -0.92 117.51 123.74 2wk3 h ILE 911 Ca 0.18 -2.42 -0.10 0.00 1.00 0.00 0.00 64.86 63.51 2wk3 h ILE 911 Cb 0.37 3.09 -0.01 0.00 -0.74 0.00 0.00 36.82 39.53 2wk3 h ILE 911 CO 0.01 0.69 -0.48 0.16 0.00 0.00 0.00 178.15 178.52 2wk3 h ILE 912 N -0.37 1.31 0.00 -0.67 3.07 -0.67 -1.17 117.51 119.02 2wk3 h ILE 912 Ca -0.12 -1.66 0.00 0.00 1.55 0.00 0.00 64.86 64.63 2wk3 h ILE 912 Cb 1.52 1.90 0.00 0.00 -0.27 0.00 0.00 36.82 39.98 2wk3 h ILE 912 CO 0.13 0.47 0.00 -1.54 -1.05 0.00 0.00 178.15 176.16 2wk3 n SER 913 N -3.92 0.00 -3.86 2.16 3.41 -0.84 -4.89 113.62 105.68 2wk3 n SER 913 Ca -0.01 -0.94 -0.30 0.00 -0.26 0.00 0.00 58.87 57.35 2wk3 n SER 913 Cb 0.50 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 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 -0.99 -2.65 -0.09 4.33 6.02 -0.44 -4.85 117.38 118.70 2wk3 n GLN 914 Ca 0.22 0.31 -0.09 0.00 -0.01 0.00 0.00 57.00 57.43 2wk3 n GLN 914 Cb 0.10 -4.98 -0.16 0.00 1.02 0.00 0.00 30.24 26.22 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 -3.91 0.68 -2.92 -1.09 6.02 -0.90 -4.04 117.38 111.23 2wk3 n GLN 915 Ca 0.05 0.01 -0.20 0.00 -0.01 0.00 0.00 57.00 56.85 2wk3 n GLN 915 Cb 0.50 -1.54 0.01 0.00 1.02 0.00 0.00 30.24 30.22 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 -2.75 -1.67 -3.06 1.08 4.02 -0.40 -1.94 117.16 112.43 2wk3 n TYR 916 Ca -0.30 0.32 -0.44 0.00 -0.01 0.00 0.00 57.90 57.47 2wk3 n TYR 916 Cb 1.13 -3.53 0.01 0.00 -0.02 0.00 0.00 39.34 36.92 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 -2.22 5.96 0.28 7.72 2.85 -1.26 -4.68 115.26 123.91 2wk3 n ASN 917 Ca -0.10 -3.24 0.13 0.00 -0.11 0.00 0.00 54.58 51.25 2wk3 n ASN 917 Cb 0.60 -1.34 0.82 0.00 1.24 0.00 0.00 39.78 41.10 2wk3 n ASN 917 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 2wk3 h PHE 918 N 5.96 0.00 -0.50 1.20 0.04 -1.97 -1.19 116.94 120.48 2wk3 h PHE 918 Ca 0.21 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.98 2wk3 h PHE 918 Cb 0.72 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.87 2wk3 h PHE 918 CO 0.95 0.03 0.00 -3.47 -0.60 0.00 0.00 178.31 175.22 2wk3 n ASP 919 N -3.96 5.08 -0.31 2.17 4.64 -1.26 -4.63 116.55 118.28 2wk3 n ASP 919 Ca -0.03 -2.88 0.13 0.00 -1.38 0.00 0.00 54.79 50.63 2wk3 n ASP 919 Cb 0.11 -0.63 0.31 0.00 -1.04 0.00 0.00 41.12 39.88 2wk3 n ASP 919 CO 0.00 0.00 0.00 -0.09 -0.82 0.00 0.00 177.20 176.29 2wk3 h ARG 920 N 3.38 0.42 -0.24 -0.67 2.43 -1.62 -2.65 114.38 115.42 2wk3 h ARG 920 Ca 0.00 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2wk3 h ARG 920 Cb 1.76 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 31.17 2wk3 h ARG 920 CO 0.38 0.28 0.01 -0.44 -1.51 0.00 0.00 179.97 178.68 2wk3 h ASP 921 N 0.43 -0.08 -0.20 -3.80 3.32 -1.84 0.57 116.42 114.81 2wk3 h ASP 921 Ca 0.56 0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.55 2wk3 h ASP 921 Cb 1.05 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 2wk3 h ASP 921 CO -0.51 -0.01 -0.24 0.78 -1.72 0.00 0.00 179.24 177.53 2wk3 h ASN 922 N 0.08 0.68 0.54 6.45 4.21 -1.86 -2.24 115.58 123.44 2wk3 h ASN 922 Ca 0.12 -0.25 -0.03 0.00 1.21 0.00 0.00 56.30 57.35 2wk3 h ASN 922 Cb 0.14 -0.19 0.01 0.00 -1.12 0.00 0.00 38.32 37.16 2wk3 h ASN 922 CO -0.19 0.91 -0.26 0.74 -1.29 0.00 0.00 177.43 177.34 2wk3 h THR 923 N 0.59 0.42 -0.71 2.81 2.02 -1.28 0.56 112.91 117.30 2wk3 h THR 923 Ca 0.08 -0.24 0.06 0.00 0.77 0.00 0.00 66.41 67.08 2wk3 h THR 923 Cb 0.73 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 2wk3 h THR 923 CO 0.06 0.04 0.47 -0.33 0.37 0.00 0.00 175.52 176.12 2wk3 h GLU 924 N -0.89 0.74 -0.00 6.66 5.08 0.14 -2.42 114.58 123.89 2wk3 h GLU 924 Ca -0.07 -0.04 -0.22 0.00 -1.00 0.00 0.00 59.36 58.02 2wk3 h GLU 924 Cb 0.62 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2wk3 h GLU 924 CO 0.12 0.49 -0.92 0.28 -1.00 0.00 0.00 179.01 177.98 2wk3 h VAL 925 N 0.76 1.42 -0.72 3.13 2.07 -1.31 -0.51 116.25 121.10 2wk3 h VAL 925 Ca 0.30 -2.47 0.07 0.00 0.82 0.00 0.00 66.70 65.41 2wk3 h VAL 925 Cb 0.23 2.42 -0.06 0.00 -1.52 0.00 0.00 31.29 32.36 2wk3 h VAL 925 CO -0.10 0.73 0.40 0.00 0.02 0.00 0.00 177.57 178.63 2wk3 h ALA 926 N 0.80 0.97 -0.13 1.67 0.00 -0.50 -1.98 119.26 120.10 2wk3 h ALA 926 Ca -0.07 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 2wk3 h ALA 926 Cb 1.55 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 2wk3 h ALA 926 CO 0.15 0.08 -0.69 -0.92 0.00 0.00 0.00 179.25 177.87 2wk3 h TYR 927 N 0.73 0.74 -0.34 0.00 3.20 -1.11 -2.93 116.97 117.27 2wk3 h TYR 927 Ca 0.32 -0.31 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 2wk3 h TYR 927 Cb 0.22 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 2wk3 h TYR 927 CO -0.07 1.08 -0.11 1.25 -1.64 0.00 0.00 178.16 178.68 2wk3 h LEU 928 N 0.40 0.56 -0.65 2.82 7.12 -0.71 -1.80 115.31 123.03 2wk3 h LEU 928 Ca -0.03 -0.15 0.00 0.00 0.13 0.00 0.00 57.88 57.84 2wk3 h LEU 928 Cb 1.27 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.26 2wk3 h LEU 928 CO 0.13 0.70 0.00 0.29 -0.13 0.00 0.00 178.44 179.43 2wk3 n LYS 929 N -4.20 0.11 0.11 1.25 5.02 -0.78 -1.59 118.16 118.08 2wk3 n LYS 929 Ca 0.01 0.46 0.12 0.00 -2.02 0.00 0.00 58.31 56.88 2wk3 n LYS 929 Cb 0.33 -1.77 0.25 0.00 -0.02 0.00 0.00 35.03 33.82 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 0.00 -4.25 -0.18 2.02 -1.41 -3.48 112.91 105.61 2wk3 h THR 930 Ca 0.00 -0.60 -0.49 0.00 0.77 0.00 0.00 66.41 66.09 2wk3 h THR 930 Cb 0.19 1.41 0.04 0.00 -1.74 0.00 0.00 68.15 68.05 2wk3 h THR 930 CO 0.00 0.00 0.39 -0.76 0.37 0.00 0.00 175.52 175.52 2wk3 s LEU 931 N -4.73 3.47 0.22 2.58 1.02 -0.62 -5.06 118.68 115.55 2wk3 s LEU 931 Ca 0.08 1.53 0.07 0.00 0.02 0.00 0.00 54.13 55.83 2wk3 s LEU 931 Cb 0.11 -4.50 -0.05 0.00 0.02 0.00 0.00 46.19 41.78 2wk3 s LEU 931 CO 0.67 -0.74 -0.13 0.42 0.02 0.00 0.00 176.35 176.59 2wk3 s THR 932 N -2.82 1.71 0.39 5.49 -4.23 -1.26 -5.00 115.64 109.92 2wk3 s THR 932 Ca 0.58 -2.20 0.21 0.00 -1.18 0.00 0.00 61.69 59.11 2wk3 s THR 932 Cb -0.11 -2.12 0.39 0.00 1.34 0.00 0.00 72.50 72.00 2wk3 s THR 932 CO 0.40 -0.54 1.65 0.50 -0.54 0.00 0.00 174.62 176.09 2wk3 h LYS 933 N 2.51 0.19 0.12 3.99 3.64 -1.97 0.58 116.57 125.62 2wk3 h LYS 933 Ca -0.38 -0.01 -0.28 0.00 -1.27 0.00 0.00 60.65 58.70 2wk3 h LYS 933 Cb 1.22 -0.04 0.02 0.00 -0.41 0.00 0.00 32.23 33.02 2wk3 h LYS 933 CO 0.63 0.13 -1.21 1.49 -2.27 0.00 0.00 179.45 178.21 2wk3 h GLU 934 N 0.20 0.47 -0.77 1.90 4.81 -1.97 0.58 114.58 119.79 2wk3 h GLU 934 Ca 0.77 -0.66 0.10 0.00 -0.13 0.00 0.00 59.36 59.43 2wk3 h GLU 934 Cb 2.07 0.23 -0.07 0.00 0.63 0.00 0.00 28.75 31.60 2wk3 h GLU 934 CO -0.53 1.29 0.41 -0.44 -0.73 0.00 0.00 179.01 179.01 2wk3 h ASP 935 N 0.19 0.57 0.24 1.04 3.32 -1.30 0.14 116.42 120.62 2wk3 h ASP 935 Ca -0.16 0.06 -0.19 0.00 0.02 0.00 0.00 57.03 56.75 2wk3 h ASP 935 Cb 1.90 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 41.40 2wk3 h ASP 935 CO 0.22 0.32 -0.76 0.40 -1.72 0.00 0.00 179.24 177.69 2wk3 h ILE 936 N 0.69 1.37 -0.63 0.35 1.08 -1.10 -1.86 117.51 117.41 2wk3 h ILE 936 Ca 0.38 -2.17 -0.07 0.00 -0.39 0.00 0.00 64.86 62.60 2wk3 h ILE 936 Cb 0.39 2.15 -0.03 0.00 -3.07 0.00 0.00 36.82 36.26 2wk3 h ILE 936 CO -0.26 0.66 0.10 0.40 -0.69 0.00 0.00 178.15 178.35 2wk3 h ILE 937 N 0.29 1.26 -0.26 -0.67 2.04 -0.26 -0.86 117.51 119.04 2wk3 h ILE 937 Ca -0.04 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 2wk3 h ILE 937 Cb 1.35 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 2wk3 h ILE 937 CO 0.13 0.37 0.15 0.11 0.00 0.00 0.00 178.15 178.91 2wk3 h LYS 938 N 0.96 0.36 -0.36 2.37 1.57 -0.62 -0.98 116.57 119.86 2wk3 h LYS 938 Ca 0.19 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.98 2wk3 h LYS 938 Cb 0.41 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 2wk3 h LYS 938 CO 0.01 0.31 0.11 0.35 -0.57 0.00 0.00 179.45 179.65 2wk3 h PHE 939 N 0.31 0.19 -0.29 -1.35 3.57 -1.22 0.20 116.94 118.35 2wk3 h PHE 939 Ca 0.09 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.62 2wk3 h PHE 939 Cb 0.05 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 2wk3 h PHE 939 CO -0.04 0.06 0.17 -0.92 -2.23 0.00 0.00 178.31 175.36 2wk3 h TYR 940 N 0.25 0.33 -0.64 0.41 5.03 -0.62 -1.19 116.97 120.53 2wk3 h TYR 940 Ca 0.17 0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.40 2wk3 h TYR 940 Cb 0.16 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.31 2wk3 h TYR 940 CO -0.16 0.20 0.06 0.87 -1.32 0.00 0.00 178.16 177.81 2wk3 h LYS 941 N 0.36 1.09 -0.34 1.82 1.57 -0.90 0.47 116.57 120.65 2wk3 h LYS 941 Ca 0.11 -0.32 -0.10 0.00 -1.87 0.00 0.00 60.65 58.47 2wk3 h LYS 941 Cb -0.02 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2wk3 h LYS 941 CO -0.04 1.03 -0.19 1.49 -0.57 0.00 0.00 179.45 181.16 2wk3 h GLU 942 N 1.00 0.73 0.00 3.15 4.81 -0.43 -3.38 114.58 120.46 2wk3 h GLU 942 Ca 0.19 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 2wk3 h GLU 942 Cb 0.50 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 2wk3 h GLU 942 CO 0.02 0.94 -1.23 -1.33 -0.73 0.00 0.00 179.01 176.68 2wk3 n MET 943 N -4.31 0.83 -0.01 1.92 0.00 -0.47 -1.97 117.12 113.12 2wk3 n MET 943 Ca -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 57.70 57.62 2wk3 n MET 943 Cb 0.42 -1.11 -0.02 0.00 0.00 0.00 0.00 33.22 32.51 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 -1.77 2.21 -4.57 4.03 4.77 0.47 -3.92 117.00 118.21 2wk3 n LEU 944 Ca -0.02 -0.01 -0.34 0.00 -0.03 0.00 0.00 56.01 55.60 2wk3 n LEU 944 Cb 0.24 -0.06 0.10 0.00 -2.33 0.00 0.00 43.42 41.37 2wk3 n LEU 944 CO 0.10 0.42 0.40 0.00 -1.33 0.00 0.00 177.39 176.98 2wk3 n ALA 945 N -2.46 -0.89 0.06 -1.18 0.00 0.14 -4.81 120.51 111.37 2wk3 n ALA 945 Ca -0.05 -0.33 0.15 0.00 0.00 0.00 0.00 53.44 53.21 2wk3 n ALA 945 Cb 0.56 -2.05 0.63 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.76 0.85 -0.21 0.00 3.04 -1.95 -0.94 116.25 116.29 2wk3 h VAL 946 Ca -0.46 -0.03 -0.11 0.00 -1.01 0.00 0.00 66.70 65.09 2wk3 h VAL 946 Cb 1.32 0.75 -0.06 0.00 -2.01 0.00 0.00 31.29 31.29 2wk3 h VAL 946 CO 0.43 0.02 -0.23 -0.90 -1.01 0.00 0.00 177.57 175.88 2wk3 n ASP 947 N -4.45 2.21 -4.67 3.17 3.85 -1.26 -5.02 116.55 110.38 2wk3 n ASP 947 Ca 0.06 -3.80 -0.45 0.00 -0.71 0.00 0.00 54.79 49.89 2wk3 n ASP 947 Cb 0.40 -0.59 -0.03 0.00 -1.35 0.00 0.00 41.12 39.55 2wk3 n ASP 947 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2wk3 n ALA 948 N -1.12 1.23 0.28 2.12 0.00 -0.36 -4.90 120.51 117.77 2wk3 n ALA 948 Ca 0.27 0.42 0.16 0.00 0.00 0.00 0.00 53.44 54.29 2wk3 n ALA 948 Cb 0.90 -2.30 0.92 0.00 0.00 0.00 0.00 19.45 18.97 2wk3 n ALA 948 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2wk3 h PRO 949 N 4.59 0.00 -0.38 0.00 0.13 -1.73 -3.08 132.00 131.54 2wk3 h PRO 949 Ca -0.45 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.39 2wk3 h PRO 949 Cb 1.27 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.10 2wk3 h PRO 949 CO 0.79 0.00 -0.82 0.54 -0.23 0.00 0.00 178.00 178.27 2wk3 n ARG 950 N -3.77 2.20 -2.21 0.86 1.74 -0.83 -4.19 116.66 110.46 2wk3 n ARG 950 Ca -0.02 -3.51 -0.42 0.00 -0.77 0.00 0.00 57.85 53.13 2wk3 n ARG 950 Cb 0.13 -1.66 -0.03 0.00 -1.02 0.00 0.00 32.46 29.89 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 -3.05 4.26 -0.34 5.56 3.52 -1.16 -4.64 118.95 123.10 2wk3 s ARG 951 Ca 0.40 1.98 0.03 0.00 -0.13 0.00 0.00 55.73 58.01 2wk3 s ARG 951 Cb 0.38 -3.63 0.10 0.00 -1.56 0.00 0.00 34.95 30.23 2wk3 s ARG 951 CO -0.03 -0.62 0.05 -1.01 -0.81 0.00 0.00 175.30 172.88 2wk3 s HIS 952 N 2.66 3.70 -0.13 5.12 3.76 -1.26 -0.30 115.29 128.84 2wk3 s HIS 952 Ca 0.64 -2.88 0.01 0.00 -0.15 0.00 0.00 55.06 52.69 2wk3 s HIS 952 Cb -0.31 -2.86 -0.01 0.00 1.11 0.00 0.00 32.58 30.52 2wk3 s HIS 952 CO 0.26 -0.94 -0.17 0.21 -0.85 0.00 0.00 174.74 173.25 2wk3 s LYS 953 N 0.95 3.23 0.02 1.40 2.20 -1.00 -0.32 119.74 126.21 2wk3 s LYS 953 Ca 0.09 -0.77 0.05 0.00 -0.36 0.00 0.00 55.97 54.98 2wk3 s LYS 953 Cb -0.19 -2.53 -0.02 0.00 -1.51 0.00 0.00 37.83 33.58 2wk3 s LYS 953 CO -0.07 0.13 -0.15 0.08 -0.36 0.00 0.00 175.35 174.98 2wk3 s VAL 954 N 0.51 1.22 -0.00 4.02 1.01 -0.68 -1.34 120.40 125.14 2wk3 s VAL 954 Ca -0.11 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.03 2wk3 s VAL 954 Cb -0.16 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 2wk3 s VAL 954 CO 0.05 0.17 -0.12 -0.44 0.00 0.00 0.00 175.10 174.76 2wk3 s SER 955 N -0.82 1.40 -0.17 3.32 0.01 -0.28 0.03 113.70 117.19 2wk3 s SER 955 Ca 0.04 -0.26 -0.02 0.00 1.31 0.00 0.00 55.95 57.03 2wk3 s SER 955 Cb -0.07 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 2wk3 s SER 955 CO 0.01 0.12 -0.08 -0.69 0.41 0.00 0.00 173.24 173.00 2wk3 s VAL 956 N -0.39 3.29 -0.28 3.43 1.01 -0.29 -0.73 120.40 126.45 2wk3 s VAL 956 Ca 0.04 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 2wk3 s VAL 956 Cb -0.05 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.90 2wk3 s VAL 956 CO -0.00 0.48 0.04 -1.00 0.00 0.00 0.00 175.10 174.62 2wk3 s HIS 957 N 0.80 3.11 -0.35 5.22 3.76 0.19 -2.33 115.29 125.69 2wk3 s HIS 957 Ca -0.03 -1.03 -0.08 0.00 -0.15 0.00 0.00 55.06 53.77 2wk3 s HIS 957 Cb -0.15 -2.20 0.04 0.00 1.11 0.00 0.00 32.58 31.38 2wk3 s HIS 957 CO 0.01 -0.58 0.14 0.08 -0.85 0.00 0.00 174.74 173.54 2wk3 s VAL 958 N 1.48 4.02 0.48 -0.90 1.01 0.12 -0.77 120.40 125.84 2wk3 s VAL 958 Ca 0.03 -1.09 -0.20 0.00 0.00 0.00 0.00 61.98 60.72 2wk3 s VAL 958 Cb -0.17 -3.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.84 2wk3 s VAL 958 CO 0.01 -0.22 1.02 -0.76 0.00 0.00 0.00 175.10 175.14 2wk3 s LEU 959 N 1.44 3.83 0.58 3.92 1.43 0.63 -0.34 118.68 130.17 2wk3 s LEU 959 Ca -0.00 1.85 -0.18 0.00 -1.03 0.00 0.00 54.13 54.77 2wk3 s LEU 959 Cb -0.20 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.43 2wk3 s LEU 959 CO 0.04 -0.71 1.11 0.00 0.23 0.00 0.00 176.35 177.02 2wk3 s ALA 960 N -2.10 2.64 0.60 4.21 0.00 -1.21 -0.57 121.76 125.33 2wk3 s ALA 960 Ca 0.65 0.70 0.28 0.00 0.00 0.00 0.00 51.96 53.59 2wk3 s ALA 960 Cb -0.14 -3.33 0.98 0.00 0.00 0.00 0.00 23.12 20.62 2wk3 s ALA 960 CO 0.20 -0.90 1.32 -0.09 0.00 0.00 0.00 175.76 176.30 2wk3 h ARG 961 N 0.81 0.00 0.00 0.00 2.43 -0.60 -2.85 114.38 114.17 2wk3 h ARG 961 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2wk3 h ARG 961 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2wk3 h ARG 961 CO 0.56 0.00 -0.58 0.39 -1.51 0.00 0.00 179.97 178.83 2wk3 n GLU 962 N -3.30 3.53 -2.01 0.20 -0.58 -1.26 -4.98 120.64 112.24 2wk3 n GLU 962 Ca 0.25 -0.02 -0.34 0.00 -0.42 0.00 0.00 57.16 56.63 2wk3 n GLU 962 Cb 1.56 -0.94 0.02 0.00 -0.57 0.00 0.00 31.44 31.51 2wk3 n GLU 962 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 2wk3 s MET 963 N -1.92 3.08 0.24 3.49 -1.94 -1.08 -5.08 119.30 116.09 2wk3 s MET 963 Ca 0.02 1.52 0.07 0.00 -1.71 0.00 0.00 55.69 55.59 2wk3 s MET 963 Cb 0.06 -1.98 -0.04 0.00 2.01 0.00 0.00 34.83 34.89 2wk3 s MET 963 CO 0.33 -1.05 0.15 0.16 -0.01 0.00 0.00 175.02 174.60 2wk3 s ASP 964 N -2.14 5.35 0.17 3.03 3.84 -1.26 -4.87 116.67 120.78 2wk3 s ASP 964 Ca 0.70 -0.30 -0.31 0.00 -0.00 0.00 0.00 52.55 52.64 2wk3 s ASP 964 Cb -0.23 -1.31 -0.17 0.00 -1.38 0.00 0.00 42.92 39.83 2wk3 s ASP 964 CO 0.34 -0.01 0.79 -1.54 -0.00 0.00 0.00 175.17 174.75 2wk3 n SER 965 N -0.98 -0.26 -3.31 2.11 3.41 -1.26 -5.12 113.62 108.21 2wk3 n SER 965 Ca -0.08 1.14 -0.29 0.00 -0.26 0.00 0.00 58.87 59.39 2wk3 n SER 965 Cb 0.57 -1.03 0.26 0.00 -0.26 0.00 0.00 64.21 63.76 2wk3 n SER 965 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2wk3 n ASN 966 N 1.80 -3.35 0.00 4.04 2.85 -1.26 -5.27 115.26 114.08 2wk3 n ASN 966 Ca 0.17 -0.94 0.00 0.00 -0.11 0.00 0.00 54.58 53.70 2wk3 n ASN 966 Cb 0.23 -0.94 0.00 0.00 1.24 0.00 0.00 39.78 40.30 2wk3 n ASN 966 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 2wk3 n ASN 979 N -5.36 0.00 -4.76 1.20 6.94 -1.26 -5.24 115.26 106.78 2wk3 n ASN 979 Ca 0.14 0.00 -0.36 0.00 -0.02 0.00 0.00 54.58 54.34 2wk3 n ASN 979 Cb 0.56 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.91 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 4.25 0.86 -4.53 1.43 -1.26 -5.08 118.68 114.36 2wk3 s LEU 980 Ca 0.00 0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 53.33 2wk3 s LEU 980 Cb 0.00 -2.17 0.05 0.00 0.03 0.00 0.00 46.19 44.10 2wk3 s LEU 980 CO 0.00 0.20 0.76 -1.54 0.23 0.00 0.00 176.35 176.00 2wk3 n SER 981 N 3.24 -0.68 -4.66 2.29 3.41 -1.26 -4.91 113.62 111.04 2wk3 n SER 981 Ca -0.16 0.47 -0.43 0.00 -0.26 0.00 0.00 58.87 58.50 2wk3 n SER 981 Cb 0.52 -1.33 -0.02 0.00 -0.26 0.00 0.00 64.21 63.12 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 -3.73 4.26 -0.10 4.33 2.00 -1.26 -4.98 119.66 120.19 2wk3 s GLN 982 Ca 0.65 1.47 -0.19 0.00 -2.00 0.00 0.00 55.36 55.29 2wk3 s GLN 982 Cb -0.27 -3.67 -0.04 0.00 0.80 0.00 0.00 33.01 29.83 2wk3 s GLN 982 CO 0.59 -0.64 0.52 0.00 -0.50 0.00 0.00 175.29 175.27 2wk3 s ALA 983 N 3.22 3.47 0.70 1.58 0.00 -1.26 -4.59 121.76 124.87 2wk3 s ALA 983 Ca 0.48 -0.12 -0.13 0.00 0.00 0.00 0.00 51.96 52.19 2wk3 s ALA 983 Cb -0.18 -2.69 0.02 0.00 0.00 0.00 0.00 23.12 20.28 2wk3 s ALA 983 CO 0.10 0.02 1.10 -1.25 0.00 0.00 0.00 175.76 175.73 2wk3 s PRO 984 N 0.50 2.61 0.21 0.00 0.04 -1.26 -4.96 135.00 132.14 2wk3 s PRO 984 Ca 0.28 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 2wk3 s PRO 984 Cb -0.16 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 2wk3 s PRO 984 CO 0.12 -1.38 1.22 0.00 0.04 0.00 0.00 177.00 177.01 2wk3 s ALA 985 N -2.61 3.46 0.14 8.56 0.00 -1.26 -4.98 121.76 125.07 2wk3 s ALA 985 Ca 0.64 1.01 0.05 0.00 0.00 0.00 0.00 51.96 53.66 2wk3 s ALA 985 Cb -0.19 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 2wk3 s ALA 985 CO 0.48 -0.41 0.11 -0.51 0.00 0.00 0.00 175.76 175.42 2wk3 s LEU 986 N -0.46 3.77 1.17 0.00 1.43 -1.26 -5.09 118.68 118.25 2wk3 s LEU 986 Ca 0.53 -0.11 -0.14 0.00 -1.03 0.00 0.00 54.13 53.37 2wk3 s LEU 986 Cb -0.34 -2.41 0.28 0.00 0.03 0.00 0.00 46.19 43.76 2wk3 s LEU 986 CO 0.39 0.10 1.03 -2.84 0.23 0.00 0.00 176.35 175.26 2wk3 s PRO 987 N -2.87 -0.98 -0.05 1.29 0.02 -1.26 -4.98 135.00 126.17 2wk3 s PRO 987 Ca 0.30 0.62 -0.30 0.00 0.02 0.00 0.00 61.00 61.64 2wk3 s PRO 987 Cb -0.11 -1.56 -0.02 0.00 0.02 0.00 0.00 34.50 32.83 2wk3 s PRO 987 CO 0.23 -3.71 1.04 -1.14 -0.33 0.00 0.00 177.00 173.08 2wk3 s GLN 988 N -4.67 4.46 0.29 5.54 2.00 -1.26 -5.04 119.66 120.99 2wk3 s GLN 988 Ca 0.68 1.47 -0.20 0.00 -2.00 0.00 0.00 55.36 55.31 2wk3 s GLN 988 Cb -0.22 -3.50 -0.09 0.00 0.80 0.00 0.00 33.01 30.00 2wk3 s GLN 988 CO 0.62 -0.24 0.80 -1.25 -0.50 0.00 0.00 175.29 174.73 2wk3 s PRO 989 N 1.62 4.26 -0.24 1.67 0.04 -1.26 -4.91 135.00 136.18 2wk3 s PRO 989 Ca 0.51 0.95 -0.29 0.00 0.04 0.00 0.00 61.00 62.22 2wk3 s PRO 989 Cb -0.21 -2.68 -0.03 0.00 0.04 0.00 0.00 34.50 31.63 2wk3 s PRO 989 CO 0.23 0.26 1.67 -2.00 0.04 0.00 0.00 177.00 177.20 2wk3 s GLU 990 N -2.37 3.70 -0.26 4.56 2.12 -0.42 -4.87 118.70 121.16 2wk3 s GLU 990 Ca 0.49 1.63 -0.27 0.00 0.36 0.00 0.00 54.97 57.18 2wk3 s GLU 990 Cb -0.15 -4.08 0.01 0.00 0.26 0.00 0.00 34.13 30.17 2wk3 s GLU 990 CO 0.20 -1.42 0.97 0.08 -0.54 0.00 0.00 175.26 174.55 2wk3 s VAL 991 N 5.57 4.69 -0.05 3.70 1.01 -1.26 -1.52 120.40 132.54 2wk3 s VAL 991 Ca 0.74 1.75 -0.30 0.00 0.00 0.00 0.00 61.98 64.17 2wk3 s VAL 991 Cb -0.25 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.81 2wk3 s VAL 991 CO 0.31 -0.24 1.57 -0.63 0.00 0.00 0.00 175.10 176.11 2wk3 s ILE 992 N 3.21 3.64 -0.19 2.22 1.01 0.67 -4.92 121.20 126.84 2wk3 s ILE 992 Ca 0.41 0.84 -0.12 0.00 0.00 0.00 0.00 60.65 61.78 2wk3 s ILE 992 Cb -0.14 -3.54 -0.21 0.00 0.01 0.00 0.00 42.46 38.58 2wk3 s ILE 992 CO 0.09 -0.06 0.16 1.67 0.00 0.00 0.00 174.94 176.80 2wk3 n GLN 993 N 6.74 0.65 -4.16 2.79 -0.06 -1.26 -4.69 117.38 117.39 2wk3 n GLN 993 Ca 0.16 0.37 -0.20 0.00 -2.00 0.00 0.00 57.00 55.34 2wk3 n GLN 993 Cb 0.43 -1.68 -0.16 0.00 -4.06 0.00 0.00 30.24 24.77 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 -6.97 0.89 0.18 1.69 3.84 -1.26 -5.05 114.94 108.25 2wk3 s ASN 994 Ca -0.28 -0.12 -0.08 0.00 0.21 0.00 0.00 52.86 52.58 2wk3 s ASN 994 Cb 0.08 -0.43 0.08 0.00 -0.55 0.00 0.00 41.25 40.42 2wk3 s ASN 994 CO 0.65 -0.05 1.61 0.24 -2.79 0.00 0.00 177.10 176.76 2wk3 h MET 995 N 7.13 0.99 -0.37 0.43 2.86 -2.00 -2.58 114.93 121.39 2wk3 h MET 995 Ca -0.39 -0.36 -0.03 0.00 -2.06 0.00 0.00 59.70 56.86 2wk3 h MET 995 Cb 1.15 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 2wk3 h MET 995 CO 0.48 1.04 0.12 1.15 1.06 0.00 0.00 176.91 180.76 2wk3 h THR 996 N 0.88 1.21 0.17 2.22 2.02 -1.98 -2.30 112.91 115.14 2wk3 h THR 996 Ca 0.14 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 2wk3 h THR 996 Cb 0.67 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 2wk3 h THR 996 CO 0.05 0.24 -0.09 -0.33 0.37 0.00 0.00 175.52 175.76 2wk3 h GLU 997 N 0.45 -0.23 -0.74 6.66 5.08 -1.96 -0.47 114.58 123.38 2wk3 h GLU 997 Ca 0.12 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.66 2wk3 h GLU 997 Cb 0.25 0.05 -0.14 0.00 0.50 0.00 0.00 28.75 29.42 2wk3 h GLU 997 CO -0.00 -0.16 -0.10 0.35 -1.00 0.00 0.00 179.01 178.10 2wk3 h PHE 998 N -0.24 -0.24 -0.45 4.33 3.57 -1.47 -0.72 116.94 121.72 2wk3 h PHE 998 Ca -0.02 0.06 -0.13 0.00 3.53 0.00 0.00 57.97 61.41 2wk3 h PHE 998 Cb 0.19 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2wk3 h PHE 998 CO -0.08 -0.29 -0.24 0.87 -2.23 0.00 0.00 178.31 176.35 2wk3 h LYS 999 N 0.04 0.96 -0.13 1.11 1.57 -0.98 -3.09 116.57 116.05 2wk3 h LYS 999 Ca 0.38 -0.43 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2wk3 h LYS 999 Cb 0.63 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2wk3 h LYS 999 CO -0.72 1.10 0.06 0.00 -0.57 0.00 0.00 179.45 179.32 2wk3 h ARG 1000N 0.80 0.17 -0.62 3.15 3.08 0.11 -2.95 114.38 118.13 2wk3 h ARG 1000Ca 0.10 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2wk3 h ARG 1000Cb 0.82 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.83 2wk3 h ARG 1000CO 0.07 0.13 0.00 0.41 -1.07 0.00 0.00 179.97 179.51 2wk3 n GLY 1001N -1.46 1.99 3.15 0.04 0.00 -0.40 -4.90 105.19 103.61 2wk3 n GLY 1001Ca -0.01 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.48 2.31 1.42 0.99 1.43 -1.11 -5.07 118.68 117.17 2wk3 s LEU 1002Ca 0.36 -0.66 -0.23 0.00 -1.03 0.00 0.00 54.13 52.57 2wk3 s LEU 1002Cb 0.23 -0.39 0.36 0.00 0.03 0.00 0.00 46.19 46.43 2wk3 s LEU 1002CO 0.16 -0.15 0.94 -2.84 0.23 0.00 0.00 176.35 174.70 2wk3 s PRO 1003N -2.00 -2.92 0.05 1.29 0.02 -1.26 -4.83 135.00 125.36 2wk3 s PRO 1003Ca -0.01 0.06 0.03 0.00 0.02 0.00 0.00 61.00 61.10 2wk3 s PRO 1003Cb -0.08 -1.39 -0.03 0.00 0.02 0.00 0.00 34.50 33.03 2wk3 s PRO 1003CO 0.01 -4.85 -0.10 -0.51 -0.33 0.00 0.00 177.00 171.22 2wk3 s LEU 1004N -7.80 2.26 0.64 -5.54 1.43 -1.26 -1.67 118.68 106.74 2wk3 s LEU 1004Ca 0.69 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 53.12 2wk3 s LEU 1004Cb -0.12 -0.32 -0.02 0.00 0.03 0.00 0.00 46.19 45.76 2wk3 s LEU 1004CO 0.57 -0.14 1.04 -0.36 0.23 0.00 0.00 176.35 177.69 2wk3 s PHE 1005N -1.29 3.42 1.11 0.29 0.40 -0.90 -4.79 117.98 116.21 2wk3 s PHE 1005Ca -0.06 1.35 -0.14 0.00 -0.60 0.00 0.00 56.93 57.48 2wk3 s PHE 1005Cb -0.10 -2.79 0.25 0.00 0.51 0.00 0.00 43.02 40.89 2wk3 s PHE 1005CO 0.01 -0.89 1.07 -2.14 0.70 0.00 0.00 175.22 173.97 2wk3 s PRO 1006N -5.06 -0.46 0.65 0.24 0.02 -1.26 -4.67 135.00 124.47 2wk3 s PRO 1006Ca 0.56 0.48 -0.07 0.00 0.02 0.00 0.00 61.00 62.00 2wk3 s PRO 1006Cb -0.12 -1.64 0.03 0.00 0.02 0.00 0.00 34.50 32.79 2wk3 s PRO 1006CO 0.53 -3.32 0.97 -0.51 -0.33 0.00 0.00 177.00 174.34 2wk3 s LEU 1007N -6.85 3.01 0.04 -5.54 2.01 -1.26 -4.82 118.68 105.28 2wk3 s LEU 1007Ca 0.67 0.66 -0.23 0.00 0.01 0.00 0.00 54.13 55.24 2wk3 s LEU 1007Cb -0.19 -3.40 -0.06 0.00 0.01 0.00 0.00 46.19 42.55 2wk3 s LEU 1007CO 0.60 -1.33 0.68 -0.69 1.01 0.00 0.00 176.35 176.62 2wk3 s VAL 1008N -3.15 4.75 0.04 -1.59 1.01 -1.26 -5.01 120.40 115.20 2wk3 s VAL 1008Ca 0.57 1.44 -0.30 0.00 0.00 0.00 0.00 61.98 63.69 2wk3 s VAL 1008Cb -0.11 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2wk3 s VAL 1008CO 0.46 0.43 0.97 -1.59 0.00 0.00 0.00 175.10 175.37 2wk3 s LYS 1009N -0.37 4.61 0.69 2.72 0.00 -1.26 -4.93 119.74 121.20 2wk3 s LYS 1009Ca 0.34 1.44 -0.17 0.00 0.00 0.00 0.00 55.97 57.58 2wk3 s LYS 1009Cb -0.20 -3.43 -0.04 0.00 0.00 0.00 0.00 37.83 34.16 2wk3 s LYS 1009CO 0.21 0.05 0.62 -2.30 0.00 0.00 0.00 175.35 173.92 2wk3 n PRO 1010N 3.46 0.41 -2.87 1.78 -0.02 -1.26 -4.94 135.00 131.56 2wk3 n PRO 1010Ca 0.05 0.18 -0.40 0.00 -2.02 0.00 0.00 63.50 61.30 2wk3 n PRO 1010Cb 0.50 -1.88 -0.05 0.00 -0.02 0.00 0.00 33.50 32.05 2wk3 n PRO 1010CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2wk3 s HIS 1011N -1.83 3.85 0.00 6.00 2.46 -0.82 -5.05 115.29 119.90 2wk3 s HIS 1011Ca 0.68 1.68 0.00 0.00 0.47 0.00 0.00 55.06 57.89 2wk3 s HIS 1011Cb -0.37 -2.90 0.00 0.00 -0.13 0.00 0.00 32.58 29.18 2wk3 s HIS 1011CO 0.55 0.35 0.00 0.44 -2.47 0.00 0.00 174.74 173.61