#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h44 s ASN 44 N 0.00 2.20 0.53 1.20 2.47 -1.26 -5.06 114.94 115.03 3h44 s ASN 44 Ca 0.00 -0.35 0.31 0.00 0.42 0.00 0.00 52.86 53.24 3h44 s ASN 44 Cb 0.00 -0.94 1.36 0.00 -1.45 0.00 0.00 41.25 40.23 3h44 s ASN 44 CO 0.00 -0.05 1.99 1.55 -3.72 0.00 0.00 177.10 176.88 3h44 h PRO 45 N 7.72 0.00 0.00 0.43 0.13 -2.05 -3.10 132.00 135.13 3h44 h PRO 45 Ca -0.32 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.74 3h44 h PRO 45 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3h44 h PRO 45 CO 0.46 0.08 -0.34 0.00 -0.23 0.00 0.00 178.00 177.97 3h44 h ALA 46 N 1.92 0.86 -3.08 -0.56 0.00 -1.99 -3.43 119.26 112.98 3h44 h ALA 46 Ca -0.00 -0.31 -0.59 0.00 0.00 0.00 0.00 54.91 54.01 3h44 h ALA 46 Cb 0.50 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 3h44 h ALA 46 CO 0.01 0.43 -0.32 0.42 0.00 0.00 0.00 179.25 179.79 3h44 s ILE 47 N -3.30 5.30 0.11 0.00 1.01 -1.17 0.14 121.20 123.29 3h44 s ILE 47 Ca 0.03 0.56 -0.11 0.00 0.00 0.00 0.00 60.65 61.12 3h44 s ILE 47 Cb 0.09 -3.64 -0.14 0.00 0.01 0.00 0.00 42.46 38.77 3h44 s ILE 47 CO 0.69 0.37 1.33 0.50 0.00 0.00 0.00 174.94 177.84 3h44 h LYS 48 N 6.78 0.78 -1.59 2.79 3.64 -0.85 -3.42 116.57 124.69 3h44 h LYS 48 Ca -0.41 -0.61 0.28 0.00 -1.27 0.00 0.00 60.65 58.64 3h44 h LYS 48 Cb 1.16 0.12 -0.14 0.00 -0.41 0.00 0.00 32.23 32.96 3h44 h LYS 48 CO 0.75 1.23 0.77 -0.98 -2.27 0.00 0.00 179.45 178.95 3h44 s ARG 49 N -3.79 0.47 -0.09 1.90 1.70 -1.09 -4.98 118.95 113.07 3h44 s ARG 49 Ca -0.10 -0.23 0.02 0.00 -0.47 0.00 0.00 55.73 54.95 3h44 s ARG 49 Cb 0.09 0.18 -0.02 0.00 -0.57 0.00 0.00 34.95 34.63 3h44 s ARG 49 CO 0.90 -0.21 -0.16 0.42 -1.08 0.00 0.00 175.30 175.17 3h44 s ILE 50 N -2.55 2.88 0.72 4.99 -1.09 -1.26 -1.57 121.20 123.32 3h44 s ILE 50 Ca 0.12 -0.75 -0.10 0.00 -2.23 0.00 0.00 60.65 57.68 3h44 s ILE 50 Cb 0.02 -2.16 0.04 0.00 -1.58 0.00 0.00 42.46 38.78 3h44 s ILE 50 CO -0.04 0.56 1.09 -0.83 -1.23 0.00 0.00 174.94 174.49 3h44 s GLY 51 N -0.13 1.62 1.01 6.18 0.00 -0.65 -4.96 107.32 110.39 3h44 s GLY 51 Ca -0.02 -0.54 -0.13 0.00 0.00 0.00 0.00 44.72 44.03 3h44 s GLY 51 CO 0.04 -0.14 1.11 -1.31 0.00 0.00 0.00 173.10 172.79 3h44 s ASN 52 N -4.43 2.57 -0.32 1.64 -0.87 -1.26 -4.65 114.94 107.61 3h44 s ASN 52 Ca 0.59 1.04 -0.29 0.00 -1.57 0.00 0.00 52.86 52.63 3h44 s ASN 52 Cb -0.11 -1.63 -0.13 0.00 -0.02 0.00 0.00 41.25 39.36 3h44 s ASN 52 CO 0.49 -3.15 1.16 1.57 -2.57 0.00 0.00 177.10 174.61 3h44 n HIS 53 N -4.17 0.97 -2.30 2.20 -0.00 -1.26 -4.74 115.22 105.93 3h44 n HIS 53 Ca 0.06 0.64 -0.43 0.00 -0.00 0.00 0.00 57.72 57.99 3h44 n HIS 53 Cb 0.58 -1.44 -0.02 0.00 -0.00 0.00 0.00 29.99 29.11 3h44 n HIS 53 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3h44 s ILE 54 N 2.69 4.05 -0.11 3.57 -1.09 -1.26 -4.85 121.20 124.20 3h44 s ILE 54 Ca 0.71 1.29 -0.29 0.00 -2.23 0.00 0.00 60.65 60.12 3h44 s ILE 54 Cb -0.96 -3.83 -0.04 0.00 -1.58 0.00 0.00 42.46 36.05 3h44 s ILE 54 CO 0.48 -0.10 1.47 -0.89 -1.23 0.00 0.00 174.94 174.68 3h44 s THR 55 N 3.46 3.90 0.33 2.92 2.01 -1.04 -4.93 115.64 122.28 3h44 s THR 55 Ca 0.60 1.09 0.10 0.00 0.31 0.00 0.00 61.69 63.79 3h44 s THR 55 Cb -0.26 -3.71 -0.06 0.00 0.01 0.00 0.00 72.50 68.48 3h44 s THR 55 CO 0.20 -0.11 -0.05 -1.59 -0.69 0.00 0.00 174.62 172.38 3h44 s LYS 56 N 3.82 1.96 0.51 4.92 -2.85 -1.26 -4.31 119.74 122.53 3h44 s LYS 56 Ca 0.65 -1.78 -0.23 0.00 -1.00 0.00 0.00 55.97 53.61 3h44 s LYS 56 Cb -0.28 -1.86 -0.06 0.00 -2.06 0.00 0.00 37.83 33.57 3h44 s LYS 56 CO 0.23 0.19 1.40 0.45 0.10 0.00 0.00 175.35 177.72 3h44 n SER 57 N -0.85 3.01 0.22 0.03 2.88 -1.26 -4.88 113.62 112.77 3h44 n SER 57 Ca -0.05 1.04 0.15 0.00 -1.33 0.00 0.00 58.87 58.68 3h44 n SER 57 Cb 0.62 -1.60 0.72 0.00 -0.75 0.00 0.00 64.21 63.20 3h44 n SER 57 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3h44 h PRO 58 N 1.80 0.00 0.00 -1.46 0.13 -1.93 -1.95 132.00 128.59 3h44 h PRO 58 Ca -0.51 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.42 3h44 h PRO 58 Cb 1.29 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 3h44 h PRO 58 CO 0.59 0.00 -1.00 0.93 -0.23 0.00 0.00 178.00 178.28 3h44 h GLU 59 N 0.00 0.00 -6.01 0.86 4.39 -1.90 -3.44 114.58 108.48 3h44 h GLU 59 Ca 0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 3h44 h GLU 59 Cb 0.24 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 3h44 h GLU 59 CO 0.00 0.81 1.39 0.34 -1.16 0.00 0.00 179.01 180.39 3h44 s ASP 60 N -6.54 5.33 0.16 1.42 -1.08 -0.73 -4.86 116.67 110.37 3h44 s ASP 60 Ca 0.01 0.95 0.24 0.00 -0.52 0.00 0.00 52.55 53.22 3h44 s ASP 60 Cb 0.09 -2.52 0.91 0.00 -1.46 0.00 0.00 42.92 39.94 3h44 s ASP 60 CO 0.81 -2.21 1.73 0.29 0.52 0.00 0.00 175.17 176.30 3h44 n LYS 61 N 8.85 0.15 -1.87 4.34 4.76 -1.26 -4.86 118.16 128.28 3h44 n LYS 61 Ca 0.25 0.26 -0.35 0.00 -2.87 0.00 0.00 58.31 55.61 3h44 n LYS 61 Cb 0.50 -1.73 0.04 0.00 -1.84 0.00 0.00 35.03 32.01 3h44 n LYS 61 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3h44 s ARG 62 N -3.15 2.82 -0.07 1.97 0.52 -1.26 -5.03 118.95 114.75 3h44 s ARG 62 Ca 0.08 1.66 0.01 0.00 -0.52 0.00 0.00 55.73 56.97 3h44 s ARG 62 Cb 0.12 -1.93 -0.03 0.00 0.52 0.00 0.00 34.95 33.63 3h44 s ARG 62 CO 0.46 -1.29 -0.08 -1.21 0.02 0.00 0.00 175.30 173.20 3h44 s GLU 63 N -3.64 2.79 0.05 3.54 2.02 -0.45 -4.97 118.70 118.04 3h44 s GLU 63 Ca 0.73 -0.57 0.07 0.00 0.02 0.00 0.00 54.97 55.23 3h44 s GLU 63 Cb -0.26 -2.58 -0.03 0.00 0.10 0.00 0.00 34.13 31.35 3h44 s GLU 63 CO 0.37 0.62 -0.20 0.71 0.02 0.00 0.00 175.26 176.78 3h44 s TYR 64 N -0.70 1.75 -0.02 1.61 1.51 -1.26 -0.35 117.35 119.89 3h44 s TYR 64 Ca 0.11 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.79 3h44 s TYR 64 Cb -0.11 -1.03 0.02 0.00 -0.11 0.00 0.00 41.96 40.73 3h44 s TYR 64 CO 0.02 0.11 -0.02 0.50 -1.11 0.00 0.00 175.55 175.04 3h44 s ARG 65 N -1.32 0.41 0.09 -0.62 3.52 -0.44 -4.61 118.95 115.97 3h44 s ARG 65 Ca 0.07 -0.03 0.03 0.00 -0.13 0.00 0.00 55.73 55.67 3h44 s ARG 65 Cb -0.09 -0.49 -0.04 0.00 -1.56 0.00 0.00 34.95 32.77 3h44 s ARG 65 CO 0.02 -0.05 0.09 0.20 -0.81 0.00 0.00 175.30 174.75 3h44 s GLY 66 N 0.63 1.99 0.05 8.12 0.00 -1.26 -0.57 107.32 116.28 3h44 s GLY 66 Ca -0.07 -1.03 -0.28 0.00 0.00 0.00 0.00 44.72 43.35 3h44 s GLY 66 CO -0.01 -1.01 0.95 0.48 0.00 0.00 0.00 173.10 173.51 3h44 s LEU 67 N -2.45 -0.27 -0.08 0.66 2.34 -0.45 -1.64 118.68 116.79 3h44 s LEU 67 Ca 0.29 -0.17 0.04 0.00 0.06 0.00 0.00 54.13 54.36 3h44 s LEU 67 Cb -0.12 2.02 -0.00 0.00 -0.56 0.00 0.00 46.19 47.53 3h44 s LEU 67 CO 0.22 -0.70 -0.22 -0.70 -1.06 0.00 0.00 176.35 173.89 3h44 s GLU 68 N -3.12 2.67 0.68 1.48 2.12 -0.61 -0.25 118.70 121.67 3h44 s GLU 68 Ca 0.08 -0.82 -0.11 0.00 0.36 0.00 0.00 54.97 54.49 3h44 s GLU 68 Cb -0.01 -2.11 -0.00 0.00 0.26 0.00 0.00 34.13 32.27 3h44 s GLU 68 CO -0.04 0.22 1.06 -0.51 -0.54 0.00 0.00 175.26 175.45 3h44 s LEU 69 N 0.21 3.05 0.48 2.70 1.43 0.10 -0.40 118.68 126.26 3h44 s LEU 69 Ca -0.13 1.39 0.18 0.00 -1.03 0.00 0.00 54.13 54.54 3h44 s LEU 69 Cb -0.16 -4.29 1.20 0.00 0.03 0.00 0.00 46.19 42.97 3h44 s LEU 69 CO 0.06 -1.25 2.03 0.00 0.23 0.00 0.00 176.35 177.42 3h44 h ALA 70 N -0.59 2.16 -0.00 4.21 0.00 0.10 -0.39 119.26 124.76 3h44 h ALA 70 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3h44 h ALA 70 Cb 1.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3h44 h ALA 70 CO 0.61 -0.26 -0.00 0.27 0.00 0.00 0.00 179.25 179.86 3h44 n ASN 71 N -4.46 0.03 0.00 0.00 0.23 -1.26 -4.89 115.26 104.92 3h44 n ASN 71 Ca 0.07 -0.70 0.00 0.00 -0.53 0.00 0.00 54.58 53.42 3h44 n ASN 71 Cb 0.37 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 37.97 3h44 n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3h44 n GLY 72 N 1.11 0.27 3.70 4.83 0.00 -0.15 -3.76 105.19 111.19 3h44 n GLY 72 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3h44 n GLY 72 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h44 s ILE 73 N -2.00 3.42 0.17 -0.61 1.01 -1.13 -4.64 121.20 117.42 3h44 s ILE 73 Ca 0.00 0.93 -0.28 0.00 0.00 0.00 0.00 60.65 61.30 3h44 s ILE 73 Cb 0.00 -3.60 -0.08 0.00 0.01 0.00 0.00 42.46 38.80 3h44 s ILE 73 CO 0.00 0.03 0.88 -0.54 0.00 0.00 0.00 174.94 175.32 3h44 s LYS 74 N 1.81 4.71 -0.05 2.79 1.02 -0.90 -0.72 119.74 128.40 3h44 s LYS 74 Ca 0.66 1.35 0.00 0.00 0.02 0.00 0.00 55.97 58.00 3h44 s LYS 74 Cb -0.35 -3.31 0.03 0.00 -0.52 0.00 0.00 37.83 33.68 3h44 s LYS 74 CO 0.29 0.44 -0.02 0.08 -0.92 0.00 0.00 175.35 175.23 3h44 s VAL 75 N -0.79 0.37 -0.17 3.17 1.01 0.66 -0.86 120.40 123.79 3h44 s VAL 75 Ca 0.41 0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.34 3h44 s VAL 75 Cb -0.24 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 3h44 s VAL 75 CO 0.29 0.21 0.08 -0.22 0.00 0.00 0.00 175.10 175.47 3h44 s LEU 76 N 1.32 3.96 -0.11 3.92 1.98 -0.30 -1.34 118.68 128.10 3h44 s LEU 76 Ca -0.05 0.17 0.01 0.00 -2.89 0.00 0.00 54.13 51.37 3h44 s LEU 76 Cb -0.13 -1.99 -0.01 0.00 0.66 0.00 0.00 46.19 44.71 3h44 s LEU 76 CO -0.02 0.23 -0.15 -0.76 -1.89 0.00 0.00 176.35 173.75 3h44 s LEU 77 N 0.06 2.62 -0.21 -0.68 1.43 0.27 -1.57 118.68 120.60 3h44 s LEU 77 Ca 0.07 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 3h44 s LEU 77 Cb -0.12 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.57 3h44 s LEU 77 CO 0.00 0.20 -0.17 -0.63 0.23 0.00 0.00 176.35 175.98 3h44 s ILE 78 N 0.16 2.10 -0.20 -0.59 1.01 0.17 -1.33 121.20 122.52 3h44 s ILE 78 Ca -0.08 -1.19 -0.12 0.00 0.00 0.00 0.00 60.65 59.26 3h44 s ILE 78 Cb -0.15 -2.01 -0.05 0.00 0.01 0.00 0.00 42.46 40.26 3h44 s ILE 78 CO 0.05 0.33 0.20 -0.55 0.00 0.00 0.00 174.94 174.98 3h44 s SER 79 N 1.22 6.28 -0.41 3.58 0.15 0.52 -1.84 113.70 123.20 3h44 s SER 79 Ca -0.00 0.31 0.04 0.00 0.70 0.00 0.00 55.95 57.00 3h44 s SER 79 Cb -0.16 -2.13 0.17 0.00 -1.71 0.00 0.00 66.02 62.19 3h44 s SER 79 CO -0.10 0.11 0.42 -0.62 1.20 0.00 0.00 173.24 174.26 3h44 s ASP 80 N 0.58 0.83 0.60 5.45 2.15 -0.38 -1.34 116.67 124.56 3h44 s ASP 80 Ca 0.11 -2.19 0.29 0.00 0.43 0.00 0.00 52.55 51.19 3h44 s ASP 80 Cb -0.12 0.42 1.36 0.00 -0.30 0.00 0.00 42.92 44.27 3h44 s ASP 80 CO 0.02 -0.19 1.75 -0.65 -0.17 0.00 0.00 175.17 175.93 3h44 h PRO 81 N 6.13 0.00 0.00 4.34 0.11 -1.78 0.18 132.00 140.98 3h44 h PRO 81 Ca 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 3h44 h PRO 81 Cb 1.01 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3h44 h PRO 81 CO 0.23 0.00 -0.04 1.79 -0.21 0.00 0.00 178.00 179.76 3h44 h THR 82 N 0.00 0.08 -3.21 -1.15 1.35 -1.94 -3.47 112.91 104.57 3h44 h THR 82 Ca 0.28 -0.99 -0.55 0.00 -0.55 0.00 0.00 66.41 64.61 3h44 h THR 82 Cb 1.61 1.92 0.09 0.00 -1.73 0.00 0.00 68.15 70.05 3h44 h THR 82 CO -0.00 0.04 0.78 1.07 -0.25 0.00 0.00 175.52 177.16 3h44 n THR 83 N -3.12 1.19 0.03 6.82 5.66 0.61 -4.92 114.28 120.56 3h44 n THR 83 Ca 0.03 -0.30 -0.15 0.00 -3.05 0.00 0.00 64.05 60.59 3h44 n THR 83 Cb 0.50 -1.82 -0.14 0.00 -1.55 0.00 0.00 70.33 67.31 3h44 n THR 83 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 3h44 h ASP 84 N 4.28 0.26 -3.29 1.09 3.32 -1.93 -3.45 116.42 116.70 3h44 h ASP 84 Ca -0.47 -0.44 -0.67 0.00 0.02 0.00 0.00 57.03 55.47 3h44 h ASP 84 Cb 1.24 -0.08 -0.31 0.00 0.22 0.00 0.00 39.33 40.40 3h44 h ASP 84 CO 0.75 1.38 -0.83 -0.54 -1.72 0.00 0.00 179.24 178.28 3h44 s LYS 85 N -2.61 3.16 0.76 3.56 1.02 -1.26 -1.70 119.74 122.67 3h44 s LYS 85 Ca -0.10 -0.80 -0.09 0.00 0.02 0.00 0.00 55.97 55.00 3h44 s LYS 85 Cb 0.07 -2.49 0.07 0.00 -0.52 0.00 0.00 37.83 34.97 3h44 s LYS 85 CO 0.83 0.10 1.09 -1.12 -0.92 0.00 0.00 175.35 175.33 3h44 s SER 86 N 0.58 4.63 0.01 2.83 0.01 -0.41 -4.79 113.70 116.56 3h44 s SER 86 Ca -0.11 0.59 -0.28 0.00 1.31 0.00 0.00 55.95 57.46 3h44 s SER 86 Cb -0.16 -1.15 0.08 0.00 0.21 0.00 0.00 66.02 65.00 3h44 s SER 86 CO 0.03 -1.77 0.73 -0.55 0.41 0.00 0.00 173.24 172.10 3h44 s SER 87 N -4.56 -0.55 0.05 2.44 0.15 -0.32 -1.58 113.70 109.33 3h44 s SER 87 Ca 0.61 0.34 -0.16 0.00 0.70 0.00 0.00 55.95 57.44 3h44 s SER 87 Cb -0.11 0.50 0.03 0.00 -1.71 0.00 0.00 66.02 64.74 3h44 s SER 87 CO 0.47 -0.69 0.37 0.00 1.20 0.00 0.00 173.24 174.58 3h44 s ALA 88 N -2.30 -0.87 0.02 5.45 0.00 -0.86 -0.84 121.76 122.37 3h44 s ALA 88 Ca -0.04 0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.06 3h44 s ALA 88 Cb -0.01 0.36 -0.02 0.00 0.00 0.00 0.00 23.12 23.46 3h44 s ALA 88 CO -0.01 -0.45 0.02 0.00 0.00 0.00 0.00 175.76 175.31 3h44 s ALA 89 N -2.61 0.03 -0.03 0.00 0.00 -0.53 -1.95 121.76 116.67 3h44 s ALA 89 Ca -0.04 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.42 3h44 s ALA 89 Cb -0.01 0.16 -0.00 0.00 0.00 0.00 0.00 23.12 23.27 3h44 s ALA 89 CO -0.03 -0.20 -0.13 -1.17 0.00 0.00 0.00 175.76 174.23 3h44 s LEU 90 N -1.62 1.87 -0.13 0.00 0.20 0.16 -1.81 118.68 117.35 3h44 s LEU 90 Ca -0.13 -0.26 0.02 0.00 0.69 0.00 0.00 54.13 54.45 3h44 s LEU 90 Cb -0.07 -0.73 0.01 0.00 -0.43 0.00 0.00 46.19 44.96 3h44 s LEU 90 CO -0.01 0.11 -0.20 -0.62 -0.29 0.00 0.00 176.35 175.34 3h44 s ASP 91 N 0.07 2.90 -0.12 3.68 2.15 0.15 -0.17 116.67 125.33 3h44 s ASP 91 Ca -0.02 -0.55 -0.04 0.00 0.43 0.00 0.00 52.55 52.37 3h44 s ASP 91 Cb -0.09 -1.34 -0.03 0.00 -0.30 0.00 0.00 42.92 41.16 3h44 s ASP 91 CO 0.01 0.06 0.02 -0.69 -0.17 0.00 0.00 175.17 174.40 3h44 s VAL 92 N 0.84 4.41 0.00 1.11 1.01 0.50 -0.91 120.40 127.36 3h44 s VAL 92 Ca -0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 3h44 s VAL 92 Cb -0.15 -2.90 -0.00 0.00 0.00 0.00 0.00 36.38 33.32 3h44 s VAL 92 CO -0.01 0.55 1.68 1.57 0.00 0.00 0.00 175.10 178.89 3h44 n HIS 93 N 2.70 0.00 -4.45 5.22 -0.00 0.15 -0.81 115.22 118.03 3h44 n HIS 93 Ca -0.18 -0.83 -0.22 0.00 0.46 0.00 0.00 57.72 56.95 3h44 n HIS 93 Cb 0.53 -0.47 -0.14 0.00 -0.12 0.00 0.00 29.99 29.80 3h44 n HIS 93 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3h44 s ILE 94 N 0.36 1.25 0.00 3.57 -1.09 -1.00 -4.72 121.20 119.57 3h44 s ILE 94 Ca 0.01 -1.02 0.00 0.00 -2.23 0.00 0.00 60.65 57.41 3h44 s ILE 94 Cb 0.00 -1.11 0.00 0.00 -1.58 0.00 0.00 42.46 39.77 3h44 s ILE 94 CO 0.00 0.08 0.00 0.61 -1.23 0.00 0.00 174.94 174.40 3h44 n GLY 95 N 1.95 3.11 0.16 6.18 0.00 -1.24 -1.62 105.19 113.73 3h44 n GLY 95 Ca -0.17 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.16 3h44 n GLY 95 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h44 h SER 96 N 0.00 0.00 -0.17 1.61 4.64 -1.24 0.20 113.55 118.59 3h44 h SER 96 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 3h44 h SER 96 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3h44 h SER 96 CO 0.00 0.00 0.13 -0.07 -0.87 0.00 0.00 176.83 176.02 3h44 h LEU 97 N 0.00 0.00 -1.78 5.97 4.07 -1.52 -0.38 115.31 121.66 3h44 h LEU 97 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3h44 h LEU 97 Cb 0.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.09 3h44 h LEU 97 CO 0.00 0.00 0.00 -1.20 -1.08 0.00 0.00 178.44 176.16 3h44 n SER 98 N -4.36 2.62 -4.69 -0.43 7.64 0.69 -4.87 113.62 110.22 3h44 n SER 98 Ca 0.01 -2.13 -0.44 0.00 1.01 0.00 0.00 58.87 57.32 3h44 n SER 98 Cb 0.26 -0.36 -0.02 0.00 -1.01 0.00 0.00 64.21 63.08 3h44 n SER 98 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3h44 n ASP 99 N 0.65 2.93 -4.60 6.43 10.43 -0.16 -4.95 116.55 127.28 3h44 n ASP 99 Ca 0.15 1.16 -0.48 0.00 2.57 0.00 0.00 54.79 58.18 3h44 n ASP 99 Cb 0.46 -1.47 -0.04 0.00 1.84 0.00 0.00 41.12 41.91 3h44 n ASP 99 CO 0.00 0.00 0.00 -2.65 -1.07 0.00 0.00 177.20 173.48 3h44 n PRO 100 N 1.70 1.36 0.24 -0.24 -0.01 -1.26 -4.85 135.00 131.94 3h44 n PRO 100 Ca 0.09 0.49 0.16 0.00 -0.01 0.00 0.00 63.50 64.23 3h44 n PRO 100 Cb 0.33 -2.05 0.67 0.00 -0.01 0.00 0.00 33.50 32.44 3h44 n PRO 100 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 175.50 174.14 3h44 h PRO 101 N 3.84 0.00 -0.01 0.52 0.11 -1.97 -1.54 132.00 132.94 3h44 h PRO 101 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3h44 h PRO 101 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3h44 h PRO 101 CO 0.73 0.00 -0.03 0.27 -0.21 0.00 0.00 178.00 178.76 3h44 n ASN 102 N -2.82 1.00 -3.15 -2.05 2.04 -1.26 -4.54 115.26 104.48 3h44 n ASN 102 Ca 0.01 -1.24 -0.18 0.00 -0.44 0.00 0.00 54.58 52.72 3h44 n ASN 102 Cb 0.26 0.00 -0.06 0.00 -2.53 0.00 0.00 39.78 37.45 3h44 n ASN 102 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 3h44 n ILE 103 N -0.28 -0.76 -1.93 1.53 5.41 -0.58 -4.91 119.36 117.85 3h44 n ILE 103 Ca 0.19 -2.50 -0.42 0.00 1.00 0.00 0.00 62.75 61.03 3h44 n ILE 103 Cb 0.29 -0.63 -0.02 0.00 -0.71 0.00 0.00 39.64 38.56 3h44 n ILE 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3h44 s ALA 104 N 0.36 3.72 0.00 -1.39 0.00 -1.26 -3.08 121.76 120.12 3h44 s ALA 104 Ca 0.32 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.68 3h44 s ALA 104 Cb 0.03 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3h44 s ALA 104 CO -0.14 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.22 3h44 n GLY 105 N 2.81 0.71 0.27 0.00 0.00 -1.22 -4.30 105.19 103.47 3h44 n GLY 105 Ca 0.10 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 3h44 n GLY 105 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3h44 h LEU 106 N 0.00 0.87 -0.88 0.99 5.85 -1.82 0.12 115.31 120.44 3h44 h LEU 106 Ca 0.00 -0.21 -0.11 0.00 0.84 0.00 0.00 57.88 58.41 3h44 h LEU 106 Cb 0.00 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 3h44 h LEU 106 CO 0.00 0.84 -0.34 0.77 -0.34 0.00 0.00 178.44 179.37 3h44 h SER 107 N 0.85 0.43 -0.45 1.25 4.64 -1.89 0.71 113.55 119.08 3h44 h SER 107 Ca 0.19 -0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 3h44 h SER 107 Cb 0.28 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 3h44 h SER 107 CO -0.01 0.74 0.19 -0.74 -0.87 0.00 0.00 176.83 176.14 3h44 h HIS 108 N 0.36 0.69 -0.38 4.77 -0.00 -1.71 -0.88 115.15 117.99 3h44 h HIS 108 Ca 0.04 -0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.33 3h44 h HIS 108 Cb 0.77 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.96 3h44 h HIS 108 CO 0.02 0.58 0.11 0.35 -0.00 0.00 0.00 177.93 178.99 3h44 h PHE 109 N 0.59 0.62 -0.96 5.26 3.57 -0.31 -1.69 116.94 124.02 3h44 h PHE 109 Ca 0.15 -0.07 0.13 0.00 3.53 0.00 0.00 57.97 61.72 3h44 h PHE 109 Cb 0.18 -0.18 -0.09 0.00 2.79 0.00 0.00 35.95 38.66 3h44 h PHE 109 CO 0.00 0.59 0.59 1.25 -2.23 0.00 0.00 178.31 178.51 3h44 h LEU 110 N 0.46 0.83 -0.19 0.59 6.46 0.56 -0.55 115.31 123.47 3h44 h LEU 110 Ca 0.12 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 3h44 h LEU 110 Cb 0.27 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 3h44 h LEU 110 CO -0.00 0.41 0.10 -0.61 -0.62 0.00 0.00 178.44 177.72 3h44 h GLN 111 N 0.89 0.27 -0.61 1.25 -0.00 -0.55 -1.67 115.11 114.69 3h44 h GLN 111 Ca 0.49 -0.03 0.06 0.00 -0.00 0.00 0.00 58.65 59.17 3h44 h GLN 111 Cb 0.56 -0.05 -0.06 0.00 0.00 0.00 0.00 27.48 27.93 3h44 h GLN 111 CO -0.29 0.28 0.31 0.45 0.00 0.00 0.00 178.83 179.57 3h44 h HIS 112 N 0.19 0.56 -0.36 3.99 3.86 -0.36 -3.19 115.15 119.83 3h44 h HIS 112 Ca 0.07 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.24 3h44 h HIS 112 Cb 0.09 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.38 3h44 h HIS 112 CO -0.03 0.24 -0.04 0.52 0.86 0.00 0.00 177.93 179.48 3h44 h MET 113 N 0.57 0.58 -0.39 2.45 2.86 -0.46 -3.10 114.93 117.44 3h44 h MET 113 Ca 0.28 -0.15 0.11 0.00 -2.06 0.00 0.00 59.70 57.89 3h44 h MET 113 Cb 0.22 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3h44 h MET 113 CO -0.20 0.63 0.39 -0.07 1.06 0.00 0.00 176.91 178.72 3h44 h LEU 114 N 0.55 0.00 -0.99 1.22 3.38 -1.31 -0.82 115.31 117.33 3h44 h LEU 114 Ca 0.11 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3h44 h LEU 114 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3h44 h LEU 114 CO 0.02 0.00 -0.23 -0.26 0.09 0.00 0.00 178.44 178.06 3h44 h PHE 115 N 0.00 0.00 -0.33 1.13 -1.00 -1.72 -3.34 116.94 111.68 3h44 h PHE 115 Ca 0.18 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.93 3h44 h PHE 115 Cb 0.96 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.50 3h44 h PHE 115 CO 0.00 0.23 0.04 1.28 -1.61 0.00 0.00 178.31 178.25 3h44 n LEU 116 N -3.35 3.67 0.00 1.54 4.77 -0.31 -4.70 117.00 118.61 3h44 n LEU 116 Ca 0.00 -1.87 0.00 0.00 -0.03 0.00 0.00 56.01 54.12 3h44 n LEU 116 Cb 0.45 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3h44 n LEU 116 CO 0.34 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 3h44 n GLY 117 N 0.24 3.97 3.67 -0.72 0.00 -1.24 -4.38 105.19 106.73 3h44 n GLY 117 Ca 0.17 -1.34 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 3h44 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h44 s THR 118 N -0.91 1.65 0.29 2.61 -4.23 -1.11 -1.03 115.64 112.91 3h44 s THR 118 Ca 0.00 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 3h44 s THR 118 Cb 0.00 -2.68 0.21 0.00 1.34 0.00 0.00 72.50 71.37 3h44 s THR 118 CO 0.00 0.00 1.90 0.50 -0.54 0.00 0.00 174.62 176.48 3h44 h LYS 119 N 1.62 0.97 0.00 3.99 3.64 -0.86 -2.32 116.57 123.61 3h44 h LYS 119 Ca -0.44 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 3h44 h LYS 119 Cb 1.27 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3h44 h LYS 119 CO 0.78 0.74 -0.94 0.36 -2.27 0.00 0.00 179.45 178.12 3h44 n LYS 120 N -4.35 0.14 -3.36 1.90 2.85 -1.26 -4.36 118.16 109.72 3h44 n LYS 120 Ca 0.07 -0.01 -0.26 0.00 -1.05 0.00 0.00 58.31 57.06 3h44 n LYS 120 Cb 0.12 -1.54 -0.09 0.00 -0.65 0.00 0.00 35.03 32.87 3h44 n LYS 120 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3h44 n TYR 121 N -1.71 -0.12 0.39 5.58 4.02 -1.18 -5.01 117.16 119.12 3h44 n TYR 121 Ca 0.03 -3.53 0.12 0.00 -0.01 0.00 0.00 57.90 54.51 3h44 n TYR 121 Cb 0.38 -0.07 0.49 0.00 -0.02 0.00 0.00 39.34 40.13 3h44 n TYR 121 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3h44 n PRO 122 N 2.15 0.19 -1.96 -0.72 -0.04 -0.88 -2.75 135.00 130.99 3h44 n PRO 122 Ca 0.26 0.43 -0.42 0.00 -0.04 0.00 0.00 63.50 63.72 3h44 n PRO 122 Cb 0.48 -1.87 -0.03 0.00 -0.04 0.00 0.00 33.50 32.04 3h44 n PRO 122 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3h44 s LYS 123 N -3.32 4.18 0.30 0.54 2.36 -1.26 -4.65 119.74 117.89 3h44 s LYS 123 Ca 0.04 2.25 0.06 0.00 -2.55 0.00 0.00 55.97 55.77 3h44 s LYS 123 Cb 0.09 -3.96 0.82 0.00 -1.05 0.00 0.00 37.83 33.74 3h44 s LYS 123 CO 0.39 -0.84 1.44 -1.91 1.55 0.00 0.00 175.35 175.97 3h44 n GLU 124 N 6.99 -0.07 -0.50 4.03 2.13 -1.26 0.25 120.64 132.20 3h44 n GLU 124 Ca 0.17 1.35 0.05 0.00 0.66 0.00 0.00 57.16 59.39 3h44 n GLU 124 Cb 0.42 -2.20 0.19 0.00 0.27 0.00 0.00 31.44 30.12 3h44 n GLU 124 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 3h44 n ASN 125 N -5.28 2.22 -0.26 4.31 2.04 -1.26 -3.67 115.26 113.35 3h44 n ASN 125 Ca 0.25 -3.61 0.07 0.00 -0.44 0.00 0.00 54.58 50.85 3h44 n ASN 125 Cb 0.82 -0.53 0.20 0.00 -2.53 0.00 0.00 39.78 37.73 3h44 n ASN 125 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 3h44 h GLU 126 N 0.82 0.26 0.65 -3.83 4.57 -0.52 -0.37 114.58 116.16 3h44 h GLU 126 Ca 0.05 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 3h44 h GLU 126 Cb 1.19 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 29.72 3h44 h GLU 126 CO 0.11 0.17 -0.31 -0.92 -1.18 0.00 0.00 179.01 176.87 3h44 h TYR 127 N 0.26 -0.81 0.00 0.92 5.03 -1.84 -0.31 116.97 120.23 3h44 h TYR 127 Ca 0.44 -0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.68 3h44 h TYR 127 Cb 0.77 0.27 -0.01 0.00 1.55 0.00 0.00 36.73 39.31 3h44 h TYR 127 CO -0.26 -0.47 -0.22 0.66 -1.32 0.00 0.00 178.16 176.55 3h44 h SER 128 N -1.10 0.00 -0.05 -2.11 4.64 -1.83 -1.71 113.55 111.39 3h44 h SER 128 Ca -0.09 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.05 3h44 h SER 128 Cb 0.71 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.81 3h44 h SER 128 CO 0.15 0.22 -0.66 -0.61 -0.87 0.00 0.00 176.83 175.06 3h44 h GLN 129 N 0.00 0.54 -0.81 4.77 4.15 -1.02 -1.61 115.11 121.14 3h44 h GLN 129 Ca -0.00 -0.51 0.09 0.00 0.77 0.00 0.00 58.65 58.99 3h44 h GLN 129 Cb 0.49 0.13 -0.07 0.00 0.21 0.00 0.00 27.48 28.24 3h44 h GLN 129 CO 0.03 1.14 0.46 0.35 -1.93 0.00 0.00 178.83 178.88 3h44 h PHE 130 N 0.13 0.84 0.19 3.99 3.57 -0.71 -0.42 116.94 124.53 3h44 h PHE 130 Ca -0.07 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 3h44 h PHE 130 Cb 1.33 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.81 3h44 h PHE 130 CO 0.12 0.35 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.39 3h44 h LEU 131 N 0.79 -0.22 -0.61 0.59 3.38 -1.33 -2.66 115.31 115.25 3h44 h LEU 131 Ca 0.38 -0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.30 3h44 h LEU 131 Cb 0.33 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.04 3h44 h LEU 131 CO -0.23 0.06 0.12 -1.28 0.09 0.00 0.00 178.44 177.19 3h44 h SER 132 N -0.50 -0.03 0.81 -0.43 0.87 -0.84 0.95 113.55 114.38 3h44 h SER 132 Ca -0.03 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3h44 h SER 132 Cb 0.38 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 3h44 h SER 132 CO 0.04 -0.01 0.00 -0.33 -0.53 0.00 0.00 176.83 176.00 3h44 h GLU 133 N 0.24 0.00 -0.20 2.24 5.08 -1.12 -3.21 114.58 117.60 3h44 h GLU 133 Ca 0.32 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.55 3h44 h GLU 133 Cb 0.50 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.66 3h44 h GLU 133 CO -0.43 0.00 -0.42 0.72 -1.00 0.00 0.00 179.01 177.88 3h44 n HIS 134 N -2.31 0.69 -2.34 4.33 8.25 0.17 -4.50 115.22 119.51 3h44 n HIS 134 Ca 0.02 -1.65 -0.20 0.00 -0.26 0.00 0.00 57.72 55.63 3h44 n HIS 134 Cb 0.25 -0.34 -0.01 0.00 1.12 0.00 0.00 29.99 31.00 3h44 n HIS 134 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h44 n ALA 135 N -1.06 -0.59 -2.89 -1.41 0.00 -1.04 -0.38 120.51 113.15 3h44 n ALA 135 Ca 0.27 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3h44 n ALA 135 Cb 0.81 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 18.11 3h44 n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h44 n GLY 136 N -0.99 3.04 3.58 0.00 0.00 -0.28 -4.15 105.19 106.39 3h44 n GLY 136 Ca -0.24 -2.11 0.02 0.00 0.00 0.00 0.00 46.02 43.70 3h44 n GLY 136 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h44 s SER 137 N -0.76 -0.00 0.09 1.61 1.04 -0.69 -4.40 113.70 110.59 3h44 s SER 137 Ca 0.00 -0.00 -0.21 0.00 0.48 0.00 0.00 55.95 56.22 3h44 s SER 137 Cb 0.00 0.00 0.05 0.00 0.10 0.00 0.00 66.02 66.17 3h44 s SER 137 CO 0.00 -0.00 0.51 -0.55 0.98 0.00 0.00 173.24 174.18 3h44 s SER 138 N -2.76 -0.43 0.32 7.02 0.15 -1.26 -1.15 113.70 115.60 3h44 s SER 138 Ca 0.14 0.04 -0.14 0.00 0.70 0.00 0.00 55.95 56.69 3h44 s SER 138 Cb 0.06 0.51 0.05 0.00 -1.71 0.00 0.00 66.02 64.93 3h44 s SER 138 CO -0.06 -0.80 0.72 -3.20 1.20 0.00 0.00 173.24 171.09 3h44 n ASN 139 N 0.10 -1.94 -3.64 5.45 2.85 -0.40 -4.99 115.26 112.69 3h44 n ASN 139 Ca -0.17 -2.30 -0.10 0.00 -0.11 0.00 0.00 54.58 51.89 3h44 n ASN 139 Cb 0.62 3.22 -0.04 0.00 1.24 0.00 0.00 39.78 44.82 3h44 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3h44 s ALA 140 N -1.93 -1.08 0.10 5.20 0.00 -1.26 -1.73 121.76 121.06 3h44 s ALA 140 Ca 0.15 -0.01 -0.15 0.00 0.00 0.00 0.00 51.96 51.94 3h44 s ALA 140 Cb -0.04 0.81 0.03 0.00 0.00 0.00 0.00 23.12 23.92 3h44 s ALA 140 CO 0.10 -0.75 0.36 -0.59 0.00 0.00 0.00 175.76 174.88 3h44 s PHE 141 N -3.83 -0.15 -0.19 0.00 -0.71 -0.78 -5.00 117.98 107.33 3h44 s PHE 141 Ca 0.05 -0.13 0.01 0.00 -1.04 0.00 0.00 56.93 55.82 3h44 s PHE 141 Cb -0.00 0.19 0.03 0.00 -1.21 0.00 0.00 43.02 42.03 3h44 s PHE 141 CO -0.08 -0.65 -0.14 0.99 -1.34 0.00 0.00 175.22 174.00 3h44 s THR 142 N -3.55 1.80 0.00 -4.49 2.01 -1.26 -1.31 115.64 108.83 3h44 s THR 142 Ca 0.02 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.07 3h44 s THR 142 Cb 0.02 -1.75 0.00 0.00 0.01 0.00 0.00 72.50 70.78 3h44 s THR 142 CO -0.10 0.34 0.00 -1.54 -0.69 0.00 0.00 174.62 172.63 3h44 n SER 143 N 4.67 0.00 0.22 3.53 3.41 0.24 -4.91 113.62 120.78 3h44 n SER 143 Ca -0.17 -0.78 0.09 0.00 -0.26 0.00 0.00 58.87 57.74 3h44 n SER 143 Cb 0.48 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 64.95 3h44 n SER 143 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3h44 h GLY 144 N 0.00 0.00 0.00 5.00 0.00 -1.94 -2.50 103.07 103.63 3h44 h GLY 144 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3h44 h GLY 144 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 3h44 n GLU 145 N -3.65 0.77 -3.92 4.80 1.02 -1.26 -1.50 120.64 116.90 3h44 n GLU 145 Ca -0.01 -0.71 -0.10 0.00 -0.02 0.00 0.00 57.16 56.31 3h44 n GLU 145 Cb 0.37 -0.68 -0.12 0.00 -0.02 0.00 0.00 31.44 30.98 3h44 n GLU 145 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3h44 s HIS 146 N -0.28 0.12 -0.11 -0.32 3.76 -1.19 -2.37 115.29 114.90 3h44 s HIS 146 Ca 0.00 -0.24 0.01 0.00 -0.15 0.00 0.00 55.06 54.68 3h44 s HIS 146 Cb 0.00 -0.09 0.02 0.00 1.11 0.00 0.00 32.58 33.61 3h44 s HIS 146 CO 0.00 -0.12 -0.14 0.99 -0.85 0.00 0.00 174.74 174.62 3h44 s THR 147 N -0.83 1.39 -0.10 1.30 2.01 0.00 -0.59 115.64 118.82 3h44 s THR 147 Ca -0.09 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.36 3h44 s THR 147 Cb -0.06 -1.29 0.01 0.00 0.01 0.00 0.00 72.50 71.18 3h44 s THR 147 CO -0.00 0.42 -0.17 0.21 -0.69 0.00 0.00 174.62 174.39 3h44 s ASN 148 N 1.10 2.49 -0.06 3.53 2.47 -0.42 -0.37 114.94 123.67 3h44 s ASN 148 Ca -0.05 -0.44 0.01 0.00 0.42 0.00 0.00 52.86 52.80 3h44 s ASN 148 Cb -0.14 -1.13 0.02 0.00 -1.45 0.00 0.00 41.25 38.55 3h44 s ASN 148 CO -0.03 0.05 -0.09 -0.31 -3.72 0.00 0.00 177.10 173.00 3h44 s TYR 149 N 0.81 1.19 0.07 0.43 1.51 0.76 -1.87 117.35 120.25 3h44 s TYR 149 Ca -0.10 -0.44 -0.10 0.00 -1.01 0.00 0.00 57.07 55.42 3h44 s TYR 149 Cb -0.16 -0.94 0.00 0.00 -0.11 0.00 0.00 41.96 40.75 3h44 s TYR 149 CO 0.01 -0.28 0.21 1.52 -1.11 0.00 0.00 175.55 175.90 3h44 s TYR 150 N 0.93 0.08 0.14 2.71 -0.85 -0.70 0.41 117.35 120.06 3h44 s TYR 150 Ca -0.10 -0.41 -0.17 0.00 -0.52 0.00 0.00 57.07 55.88 3h44 s TYR 150 Cb -0.15 -0.02 0.04 0.00 0.38 0.00 0.00 41.96 42.21 3h44 s TYR 150 CO 0.01 -0.51 0.43 -0.59 -1.52 0.00 0.00 175.55 173.37 3h44 s PHE 151 N -3.32 -0.20 0.36 -3.49 -0.12 -0.82 -1.28 117.98 109.11 3h44 s PHE 151 Ca 0.01 -0.12 0.07 0.00 -0.05 0.00 0.00 56.93 56.84 3h44 s PHE 151 Cb 0.02 0.29 -0.07 0.00 -0.63 0.00 0.00 43.02 42.64 3h44 s PHE 151 CO -0.08 -0.75 -0.02 0.16 -0.05 0.00 0.00 175.22 174.48 3h44 s ASP 152 N -2.82 3.43 0.18 1.98 3.84 -0.30 -2.02 116.67 120.97 3h44 s ASP 152 Ca 0.04 -1.30 -0.19 0.00 -0.00 0.00 0.00 52.55 51.10 3h44 s ASP 152 Cb 0.01 -0.30 0.04 0.00 -1.38 0.00 0.00 42.92 41.29 3h44 s ASP 152 CO -0.10 -0.40 0.53 0.54 -0.00 0.00 0.00 175.17 175.74 3h44 s VAL 153 N -2.83 0.03 0.39 2.11 0.11 -0.62 -1.71 120.40 117.88 3h44 s VAL 153 Ca 0.34 -0.62 -0.26 0.00 -2.93 0.00 0.00 61.98 58.51 3h44 s VAL 153 Cb 0.07 -1.44 -0.11 0.00 -1.53 0.00 0.00 36.38 33.36 3h44 s VAL 153 CO 0.16 -0.11 1.10 -0.24 -3.33 0.00 0.00 175.10 172.68 3h44 n SER 154 N -0.34 1.72 0.31 3.54 2.88 0.49 -1.29 113.62 120.94 3h44 n SER 154 Ca -0.12 1.10 0.19 0.00 -1.33 0.00 0.00 58.87 58.71 3h44 n SER 154 Cb 0.63 -1.39 1.07 0.00 -0.75 0.00 0.00 64.21 63.77 3h44 n SER 154 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 3h44 h HIS 155 N 1.86 0.00 -0.13 0.66 2.07 -1.62 -1.91 115.15 116.07 3h44 h HIS 155 Ca -0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.08 3h44 h HIS 155 Cb 1.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.30 3h44 h HIS 155 CO 0.46 0.00 0.00 -1.91 -3.07 0.00 0.00 177.93 173.41 3h44 n GLU 156 N -3.40 1.40 -0.98 5.12 2.13 -1.26 -3.84 120.64 119.80 3h44 n GLU 156 Ca -0.03 -0.61 0.01 0.00 0.66 0.00 0.00 57.16 57.20 3h44 n GLU 156 Cb 0.11 -1.26 0.00 0.00 0.27 0.00 0.00 31.44 30.57 3h44 n GLU 156 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3h44 n HIS 157 N -0.11 0.00 0.19 4.31 8.25 -0.72 -4.85 115.22 122.30 3h44 n HIS 157 Ca 0.11 -0.26 -0.17 0.00 -0.26 0.00 0.00 57.72 57.14 3h44 n HIS 157 Cb 0.18 -0.04 -0.10 0.00 1.12 0.00 0.00 29.99 31.15 3h44 n HIS 157 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3h44 h LEU 158 N 0.45 -1.52 -0.09 2.41 6.46 -1.70 -1.30 115.31 120.02 3h44 h LEU 158 Ca -0.14 0.14 0.04 0.00 -0.12 0.00 0.00 57.88 57.80 3h44 h LEU 158 Cb 1.60 0.54 -0.06 0.00 -0.73 0.00 0.00 40.66 42.00 3h44 h LEU 158 CO 0.02 -0.61 -0.38 -0.08 -0.62 0.00 0.00 178.44 176.77 3h44 h GLU 159 N -0.87 -0.46 -0.40 1.25 4.81 -1.91 0.74 114.58 117.73 3h44 h GLU 159 Ca -0.03 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 3h44 h GLU 159 Cb 0.82 0.10 -0.08 0.00 0.63 0.00 0.00 28.75 30.22 3h44 h GLU 159 CO -0.19 -0.31 -0.17 0.78 -0.73 0.00 0.00 179.01 178.39 3h44 h GLY 160 N -0.48 0.16 0.90 1.92 0.00 -1.91 0.63 103.07 104.29 3h44 h GLY 160 Ca 0.08 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.60 3h44 h GLY 160 CO -0.35 -0.19 -0.31 0.00 0.00 0.00 0.00 176.54 175.69 3h44 h ALA 161 N 1.23 -0.81 -0.65 3.60 0.00 -0.79 -2.64 119.26 119.20 3h44 h ALA 161 Ca 0.20 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3h44 h ALA 161 Cb 0.39 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 3h44 h ALA 161 CO -0.46 -0.97 0.43 1.25 0.00 0.00 0.00 179.25 179.50 3h44 h LEU 162 N -0.81 0.61 0.28 0.00 5.85 0.14 -1.75 115.31 119.63 3h44 h LEU 162 Ca -0.07 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3h44 h LEU 162 Cb 0.65 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3h44 h LEU 162 CO 0.08 0.41 -0.14 -0.78 -0.34 0.00 0.00 178.44 177.67 3h44 h ASP 163 N 0.70 -0.32 -0.41 1.25 -0.00 0.37 -0.15 116.42 117.86 3h44 h ASP 163 Ca 0.27 -0.14 0.11 0.00 -0.00 0.00 0.00 57.03 57.27 3h44 h ASP 163 Cb 0.18 0.08 -0.02 0.00 -0.00 0.00 0.00 39.33 39.58 3h44 h ASP 163 CO -0.08 -0.03 0.29 0.03 -0.00 0.00 0.00 179.24 179.45 3h44 h ARG 164 N -0.62 0.03 0.14 0.28 3.08 -1.19 -2.75 114.38 113.35 3h44 h ARG 164 Ca -0.04 -0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.75 3h44 h ARG 164 Cb 0.44 -0.01 0.03 0.00 0.08 0.00 0.00 29.97 30.51 3h44 h ARG 164 CO 0.06 0.02 -1.09 0.35 -1.07 0.00 0.00 179.97 178.24 3h44 h PHE 165 N 0.03 0.84 -0.71 3.04 3.04 -0.68 -3.08 116.94 119.41 3h44 h PHE 165 Ca 0.20 -0.55 0.11 0.00 3.98 0.00 0.00 57.97 61.70 3h44 h PHE 165 Cb 0.74 -0.06 -0.05 0.00 2.56 0.00 0.00 35.95 39.15 3h44 h PHE 165 CO -0.00 1.41 0.47 0.00 -2.02 0.00 0.00 178.31 178.17 3h44 h ALA 166 N 0.21 1.94 -0.03 2.41 0.00 -0.74 -2.31 119.26 120.75 3h44 h ALA 166 Ca -0.17 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3h44 h ALA 166 Cb 1.81 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 3h44 h ALA 166 CO 0.21 -0.10 0.04 1.96 0.00 0.00 0.00 179.25 181.35 3h44 h GLN 167 N 0.53 0.00 -0.31 0.00 1.08 -1.47 0.83 115.11 115.77 3h44 h GLN 167 Ca 0.34 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.63 3h44 h GLN 167 Cb 0.58 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 3h44 h GLN 167 CO -0.11 0.00 0.39 0.74 -0.95 0.00 0.00 178.83 178.89 3h44 h PHE 168 N 0.00 0.00 -0.16 2.96 -1.00 -1.57 -1.24 116.94 115.93 3h44 h PHE 168 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 3h44 h PHE 168 Cb 0.09 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.65 3h44 h PHE 168 CO 0.00 0.00 0.00 1.19 -1.61 0.00 0.00 178.31 177.89 3h44 n PHE 169 N -3.62 0.35 0.00 -0.55 3.72 0.28 -4.46 117.46 113.18 3h44 n PHE 169 Ca 0.05 -0.68 0.00 0.00 -0.05 0.00 0.00 57.45 56.77 3h44 n PHE 169 Cb 0.53 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 3h44 n PHE 169 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3h44 n LEU 170 N -0.39 1.67 -2.83 4.37 4.77 -0.56 -4.83 117.00 119.19 3h44 n LEU 170 Ca 0.11 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3h44 n LEU 170 Cb 0.52 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.62 3h44 n LEU 170 CO 0.06 0.25 0.37 -0.94 -1.33 0.00 0.00 177.39 175.79 3h44 s SER 171 N -3.96 -0.66 -0.18 -1.43 1.04 -0.64 -5.06 113.70 102.81 3h44 s SER 171 Ca 0.00 -0.48 -0.20 0.00 0.48 0.00 0.00 55.95 55.76 3h44 s SER 171 Cb 0.00 0.85 -0.03 0.00 0.10 0.00 0.00 66.02 66.94 3h44 s SER 171 CO 0.00 -0.06 0.57 -2.16 0.98 0.00 0.00 173.24 172.58 3h44 s PRO 172 N 1.61 4.23 0.52 4.02 0.04 -1.26 -0.12 135.00 144.03 3h44 s PRO 172 Ca 0.18 0.53 0.22 0.00 0.04 0.00 0.00 61.00 61.98 3h44 s PRO 172 Cb 0.04 -3.55 1.34 0.00 0.04 0.00 0.00 34.50 32.36 3h44 s PRO 172 CO -0.11 -0.15 2.02 -0.07 0.04 0.00 0.00 177.00 178.73 3h44 h LEU 173 N 7.88 0.04 -2.61 -3.56 3.38 -1.36 -3.46 115.31 115.62 3h44 h LEU 173 Ca -0.34 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.05 3h44 h LEU 173 Cb 1.15 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.79 3h44 h LEU 173 CO 0.76 0.02 -0.96 0.49 0.09 0.00 0.00 178.44 178.83 3h44 n PHE 174 N -4.42 -1.41 -1.59 1.13 3.01 -1.26 -4.72 117.46 108.20 3h44 n PHE 174 Ca 0.07 0.48 -0.50 0.00 1.01 0.00 0.00 57.45 58.51 3h44 n PHE 174 Cb 0.48 -3.01 -0.05 0.00 -0.01 0.00 0.00 39.48 36.89 3h44 n PHE 174 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3h44 n ASP 175 N -2.70 1.59 -0.25 4.37 2.03 -1.26 -4.75 116.55 115.58 3h44 n ASP 175 Ca -0.25 1.13 0.14 0.00 0.52 0.00 0.00 54.79 56.33 3h44 n ASP 175 Cb 0.65 -1.22 0.43 0.00 -0.72 0.00 0.00 41.12 40.26 3h44 n ASP 175 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3h44 h GLU 176 N 4.00 0.56 0.00 -0.67 4.57 -2.00 0.11 114.58 121.15 3h44 h GLU 176 Ca -0.45 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 57.63 3h44 h GLU 176 Cb 1.33 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 3h44 h GLU 176 CO 0.74 0.37 -1.40 -1.13 -1.18 0.00 0.00 179.01 176.41 3h44 n SER 177 N -4.55 0.63 -0.10 1.04 3.41 -1.26 -2.81 113.62 109.98 3h44 n SER 177 Ca 0.18 0.26 -0.10 0.00 -0.26 0.00 0.00 58.87 58.95 3h44 n SER 177 Cb 0.54 0.71 -0.02 0.00 -0.26 0.00 0.00 64.21 65.18 3h44 n SER 177 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h44 h ALA 178 N 1.78 0.39 -0.54 7.33 0.00 -1.77 -2.28 119.26 124.17 3h44 h ALA 178 Ca -0.08 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.82 3h44 h ALA 178 Cb 1.24 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 3h44 h ALA 178 CO 0.01 -0.01 -0.02 -0.22 0.00 0.00 0.00 179.25 179.02 3h44 h LYS 179 N 0.34 0.10 -0.76 0.00 3.64 -0.81 0.23 116.57 119.31 3h44 h LYS 179 Ca 0.10 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 3h44 h LYS 179 Cb 0.18 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 3h44 h LYS 179 CO -0.01 0.06 0.48 -0.44 -2.27 0.00 0.00 179.45 177.28 3h44 h ASP 180 N 0.10 0.80 0.29 4.20 3.32 -1.34 -2.39 116.42 121.39 3h44 h ASP 180 Ca 0.27 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 3h44 h ASP 180 Cb 0.42 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3h44 h ASP 180 CO -0.47 0.55 -0.14 0.03 -1.72 0.00 0.00 179.24 177.50 3h44 h ARG 181 N 0.94 -0.37 0.00 3.56 3.08 -0.82 -3.31 114.38 117.47 3h44 h ARG 181 Ca 0.30 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.38 3h44 h ARG 181 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3h44 h ARG 181 CO -0.11 -0.25 0.16 1.49 -1.07 0.00 0.00 179.97 180.19 3h44 h GLU 182 N -0.94 0.00 0.00 0.04 4.57 -0.59 0.51 114.58 118.17 3h44 h GLU 182 Ca -0.04 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3h44 h GLU 182 Cb 0.29 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.88 3h44 h GLU 182 CO 0.06 0.00 -0.02 -0.24 -1.18 0.00 0.00 179.01 177.63 3h44 h VAL 183 N 0.00 0.73 -0.02 0.32 3.04 -1.51 -2.10 116.25 116.71 3h44 h VAL 183 Ca 0.00 -0.08 -0.20 0.00 -1.01 0.00 0.00 66.70 65.41 3h44 h VAL 183 Cb 0.32 1.05 -0.01 0.00 -2.01 0.00 0.00 31.29 30.64 3h44 h VAL 183 CO 0.00 0.02 -0.84 0.78 -1.01 0.00 0.00 177.57 176.52 3h44 h ASN 184 N 0.00 0.38 -0.52 3.17 4.21 -1.08 -2.29 115.58 119.45 3h44 h ASN 184 Ca -0.00 -0.28 0.06 0.00 1.21 0.00 0.00 56.30 57.29 3h44 h ASN 184 Cb 0.05 -0.11 -0.06 0.00 -1.12 0.00 0.00 38.32 37.08 3h44 h ASN 184 CO 0.00 1.06 0.21 0.00 -1.29 0.00 0.00 177.43 177.42 3h44 h ALA 185 N 0.92 0.65 -0.40 -0.83 0.00 -1.50 0.10 119.26 118.20 3h44 h ALA 185 Ca -0.05 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3h44 h ALA 185 Cb 1.45 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 3h44 h ALA 185 CO 0.14 -0.17 0.07 0.28 0.00 0.00 0.00 179.25 179.57 3h44 h VAL 186 N 0.41 1.24 -0.81 0.00 2.07 -1.37 -0.33 116.25 117.46 3h44 h VAL 186 Ca 0.25 -0.85 0.15 0.00 0.82 0.00 0.00 66.70 67.06 3h44 h VAL 186 Cb 0.24 1.02 -0.10 0.00 -1.52 0.00 0.00 31.29 30.93 3h44 h VAL 186 CO -0.23 0.29 0.38 -0.78 0.02 0.00 0.00 177.57 177.26 3h44 h ASP 187 N 0.52 0.42 -0.42 0.57 3.58 -0.84 0.19 116.42 120.43 3h44 h ASP 187 Ca 0.12 0.10 -0.08 0.00 0.42 0.00 0.00 57.03 57.60 3h44 h ASP 187 Cb 0.36 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 3h44 h ASP 187 CO 0.01 0.17 -0.04 0.28 -2.88 0.00 0.00 179.24 176.77 3h44 h SER 188 N 0.54 0.77 -0.56 2.28 0.02 -0.50 0.07 113.55 116.17 3h44 h SER 188 Ca 0.45 -0.33 0.11 0.00 -0.84 0.00 0.00 61.79 61.18 3h44 h SER 188 Cb 0.66 -0.21 -0.11 0.00 0.14 0.00 0.00 62.40 62.88 3h44 h SER 188 CO -0.38 0.92 -0.19 -0.08 -1.14 0.00 0.00 176.83 175.96 3h44 h GLU 189 N 0.61 -0.05 -0.23 3.45 4.81 0.16 -1.47 114.58 121.86 3h44 h GLU 189 Ca 0.12 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 3h44 h GLU 189 Cb 0.55 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 3h44 h GLU 189 CO 0.03 -0.03 -0.07 1.25 -0.73 0.00 0.00 179.01 179.46 3h44 h HIS 190 N -0.05 0.51 -0.19 0.92 2.76 -0.77 -3.24 115.15 115.09 3h44 h HIS 190 Ca 0.27 -0.11 0.05 0.00 -2.20 0.00 0.00 60.37 58.38 3h44 h HIS 190 Cb 0.46 -0.12 -0.07 0.00 1.55 0.00 0.00 27.41 29.23 3h44 h HIS 190 CO -0.50 0.69 -0.32 0.93 -1.30 0.00 0.00 177.93 177.43 3h44 h GLU 191 N 0.18 -0.34 -0.64 5.26 4.39 -0.01 0.23 114.58 123.65 3h44 h GLU 191 Ca 0.06 0.02 0.13 0.00 0.34 0.00 0.00 59.36 59.91 3h44 h GLU 191 Cb 0.54 0.08 -0.12 0.00 -0.10 0.00 0.00 28.75 29.14 3h44 h GLU 191 CO 0.03 -0.23 -0.16 1.17 -1.16 0.00 0.00 179.01 178.65 3h44 n LYS 192 N -5.41 -0.06 0.17 2.33 4.81 -0.68 -1.28 118.16 118.04 3h44 n LYS 192 Ca -0.02 0.99 0.12 0.00 -0.87 0.00 0.00 58.31 58.54 3h44 n LYS 192 Cb 0.33 -1.48 0.28 0.00 0.02 0.00 0.00 35.03 34.17 3h44 n LYS 192 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3h44 h ASN 193 N 0.00 0.00 -0.35 3.14 2.35 -0.59 -3.37 115.58 116.76 3h44 h ASN 193 Ca 0.30 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.04 3h44 h ASN 193 Cb 0.46 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.82 3h44 h ASN 193 CO -0.66 0.00 0.18 0.58 -1.65 0.00 0.00 177.43 175.89 3h44 h VAL 194 N 0.00 1.15 -0.38 2.81 2.07 -0.61 -1.97 116.25 119.32 3h44 h VAL 194 Ca 0.00 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3h44 h VAL 194 Cb 0.88 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3h44 h VAL 194 CO 0.00 0.16 0.00 0.23 0.02 0.00 0.00 177.57 177.98 3h44 n MET 195 N -4.75 2.47 -3.34 1.57 2.81 -1.26 -4.76 117.12 109.85 3h44 n MET 195 Ca -0.01 -1.61 -0.41 0.00 -1.81 0.00 0.00 57.70 53.87 3h44 n MET 195 Cb 0.09 -1.57 -0.09 0.00 -0.71 0.00 0.00 33.22 30.94 3h44 n MET 195 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3h44 s ASN 196 N -0.77 6.24 0.40 7.83 2.47 -0.74 -4.86 114.94 125.51 3h44 s ASN 196 Ca 0.29 -0.09 0.16 0.00 0.42 0.00 0.00 52.86 53.64 3h44 s ASN 196 Cb 0.18 -2.22 1.03 0.00 -1.45 0.00 0.00 41.25 38.79 3h44 s ASN 196 CO 0.15 -0.37 1.84 0.44 -3.72 0.00 0.00 177.10 175.43 3h44 h ASP 197 N 8.42 0.47 0.05 -4.21 3.45 -1.89 -1.05 116.42 121.67 3h44 h ASP 197 Ca -0.29 0.05 -0.14 0.00 0.43 0.00 0.00 57.03 57.08 3h44 h ASP 197 Cb 1.14 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.87 3h44 h ASP 197 CO 0.72 0.18 -0.48 0.00 -1.57 0.00 0.00 179.24 178.08 3h44 h ALA 198 N 1.61 0.81 0.07 3.45 0.00 -1.93 -2.69 119.26 120.59 3h44 h ALA 198 Ca 0.50 -0.48 -0.26 0.00 0.00 0.00 0.00 54.91 54.67 3h44 h ALA 198 Cb 1.16 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.88 3h44 h ALA 198 CO -0.22 0.67 -1.07 -1.49 0.00 0.00 0.00 179.25 177.14 3h44 h TRP 199 N 0.40 0.94 -0.21 0.00 4.06 -1.47 -1.79 115.95 117.87 3h44 h TRP 199 Ca 0.02 -0.56 0.04 0.00 2.06 0.00 0.00 58.89 60.45 3h44 h TRP 199 Cb 0.99 -0.09 -0.04 0.00 -1.00 0.00 0.00 29.16 29.03 3h44 h TRP 199 CO 0.04 1.40 -0.03 0.00 -3.56 0.00 0.00 178.44 176.29 3h44 h ARG 200 N 0.20 0.03 -0.42 0.49 3.08 -1.53 -1.35 114.38 114.89 3h44 h ARG 200 Ca -0.15 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 3h44 h ARG 200 Cb 1.75 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.78 3h44 h ARG 200 CO 0.21 0.02 0.23 -0.07 -1.07 0.00 0.00 179.97 179.28 3h44 h LEU 201 N 0.03 0.50 -0.29 3.04 4.07 -1.48 0.71 115.31 121.89 3h44 h LEU 201 Ca 0.10 -0.03 -0.18 0.00 0.08 0.00 0.00 57.88 57.85 3h44 h LEU 201 Cb 0.14 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 41.75 3h44 h LEU 201 CO -0.19 0.40 -0.51 0.15 -1.08 0.00 0.00 178.44 177.22 3h44 h PHE 202 N 0.57 1.07 0.13 1.13 3.04 -0.47 -2.24 116.94 120.19 3h44 h PHE 202 Ca 0.15 -0.37 -0.26 0.00 3.98 0.00 0.00 57.97 61.46 3h44 h PHE 202 Cb 0.02 -0.20 0.03 0.00 2.56 0.00 0.00 35.95 38.35 3h44 h PHE 202 CO 0.00 1.20 -1.12 0.37 -2.02 0.00 0.00 178.31 176.74 3h44 h GLN 203 N 0.64 0.52 -1.00 1.11 5.75 -1.15 -3.21 115.11 117.77 3h44 h GLN 203 Ca 0.02 -0.74 0.20 0.00 -0.15 0.00 0.00 58.65 57.98 3h44 h GLN 203 Cb 1.11 0.25 -0.11 0.00 1.07 0.00 0.00 27.48 29.81 3h44 h GLN 203 CO 0.11 1.33 0.61 1.25 -2.65 0.00 0.00 178.83 179.49 3h44 h LEU 204 N 0.07 0.74 0.57 -2.39 5.85 -0.84 0.12 115.31 119.43 3h44 h LEU 204 Ca -0.18 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 3h44 h LEU 204 Cb 1.83 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 42.84 3h44 h LEU 204 CO 0.21 0.23 -0.27 -0.08 -0.34 0.00 0.00 178.44 178.19 3h44 h GLU 205 N 0.70 -0.73 -1.03 1.25 4.81 -1.45 -2.87 114.58 115.25 3h44 h GLU 205 Ca 0.59 0.05 0.26 0.00 -0.13 0.00 0.00 59.36 60.13 3h44 h GLU 205 Cb 1.00 0.17 -0.09 0.00 0.63 0.00 0.00 28.75 30.45 3h44 h GLU 205 CO -0.39 -0.47 0.66 0.87 -0.73 0.00 0.00 179.01 178.95 3h44 h LYS 206 N -0.80 0.40 -0.10 1.92 1.57 -0.91 -1.25 116.57 117.40 3h44 h LYS 206 Ca -0.08 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3h44 h LYS 206 Cb 0.60 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3h44 h LYS 206 CO 0.13 0.27 0.00 0.00 -0.57 0.00 0.00 179.45 179.28 3h44 n ALA 207 N -2.46 2.56 -0.90 3.86 0.00 0.18 -3.34 120.51 120.41 3h44 n ALA 207 Ca 0.25 -0.37 0.05 0.00 0.00 0.00 0.00 53.44 53.37 3h44 n ALA 207 Cb 0.85 -1.17 0.07 0.00 0.00 0.00 0.00 19.45 19.20 3h44 n ALA 207 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h44 n THR 208 N -0.09 1.25 -3.27 0.00 -2.24 -0.47 -4.95 114.28 104.51 3h44 n THR 208 Ca 0.16 -1.45 -0.02 0.00 -2.27 0.00 0.00 64.05 60.47 3h44 n THR 208 Cb 0.24 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 3h44 n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h44 n GLY 209 N -0.88 2.47 3.43 3.38 0.00 -1.21 -4.93 105.19 107.45 3h44 n GLY 209 Ca 0.08 -2.16 -0.50 0.00 0.00 0.00 0.00 46.02 43.44 3h44 n GLY 209 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3h44 n ASN 210 N -2.47 1.82 0.00 1.61 5.15 0.10 -4.77 115.26 116.71 3h44 n ASN 210 Ca 0.01 0.37 0.05 0.00 -0.60 0.00 0.00 54.58 54.41 3h44 n ASN 210 Cb 0.06 -1.21 0.25 0.00 -0.53 0.00 0.00 39.78 38.35 3h44 n ASN 210 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3h44 n PRO 211 N 8.18 0.06 0.09 1.20 -0.04 -1.26 -1.03 135.00 142.20 3h44 n PRO 211 Ca 0.45 0.27 -0.06 0.00 -0.04 0.00 0.00 63.50 64.11 3h44 n PRO 211 Cb 0.20 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.21 3h44 n PRO 211 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3h44 h LYS 212 N 0.00 0.15 -6.79 0.54 3.64 -1.98 -3.46 116.57 108.67 3h44 h LYS 212 Ca 0.00 -0.14 -0.52 0.00 -1.27 0.00 0.00 60.65 58.73 3h44 h LYS 212 Cb 0.15 0.03 0.04 0.00 -0.41 0.00 0.00 32.23 32.05 3h44 h LYS 212 CO 0.00 0.83 0.58 -1.58 -2.27 0.00 0.00 179.45 177.02 3h44 s HIS 213 N -3.41 3.29 0.64 1.91 2.46 -0.19 -4.93 115.29 115.06 3h44 s HIS 213 Ca -0.03 1.46 0.41 0.00 0.47 0.00 0.00 55.06 57.37 3h44 s HIS 213 Cb 0.11 -3.52 2.27 0.00 -0.13 0.00 0.00 32.58 31.31 3h44 s HIS 213 CO 0.80 -1.41 2.34 -1.00 -2.47 0.00 0.00 174.74 173.01 3h44 h PRO 214 N 4.16 0.00 -0.96 2.88 0.13 -1.89 -1.01 132.00 135.31 3h44 h PRO 214 Ca -0.47 0.00 0.24 0.00 -0.87 0.00 0.00 66.00 64.90 3h44 h PRO 214 Cb 1.22 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 3h44 h PRO 214 CO 0.70 0.00 0.64 0.35 -0.23 0.00 0.00 178.00 179.46 3h44 h PHE 215 N 0.00 0.45 -0.03 1.56 3.04 -1.91 -1.29 116.94 118.76 3h44 h PHE 215 Ca -0.00 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 3h44 h PHE 215 Cb 0.01 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.39 3h44 h PHE 215 CO 0.00 0.09 0.00 -1.13 -2.02 0.00 0.00 178.31 175.25 3h44 n SER 216 N -4.48 0.22 -4.82 0.41 3.41 -0.38 -4.79 113.62 103.18 3h44 n SER 216 Ca 0.21 -1.74 -0.32 0.00 -0.26 0.00 0.00 58.87 56.77 3h44 n SER 216 Cb 0.83 -0.02 0.02 0.00 -0.26 0.00 0.00 64.21 64.78 3h44 n SER 216 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3h44 s LYS 217 N -1.96 3.25 -0.42 4.33 1.02 -0.49 -4.74 119.74 120.74 3h44 s LYS 217 Ca 0.15 1.01 -0.14 0.00 0.02 0.00 0.00 55.97 57.01 3h44 s LYS 217 Cb 0.07 -2.03 0.04 0.00 -0.52 0.00 0.00 37.83 35.39 3h44 s LYS 217 CO 0.12 -0.85 0.31 0.12 -0.92 0.00 0.00 175.35 174.12 3h44 s PHE 218 N -2.82 3.25 0.14 3.18 5.36 -1.26 -4.97 117.98 120.85 3h44 s PHE 218 Ca 0.60 -0.78 0.02 0.00 -0.96 0.00 0.00 56.93 55.81 3h44 s PHE 218 Cb -0.14 -2.72 -0.08 0.00 -0.34 0.00 0.00 43.02 39.74 3h44 s PHE 218 CO 0.46 -0.66 1.33 0.78 -1.46 0.00 0.00 175.22 175.66 3h44 h GLY 219 N 8.62 0.19 0.75 13.12 0.00 -1.94 -3.22 103.07 120.58 3h44 h GLY 219 Ca -0.27 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 3h44 h GLY 219 CO 0.76 0.34 -0.08 -0.84 0.00 0.00 0.00 176.54 176.71 3h44 h THR 220 N 0.08 0.93 -0.26 4.70 2.02 -1.92 -3.35 112.91 115.12 3h44 h THR 220 Ca -0.05 -0.53 0.03 0.00 0.77 0.00 0.00 66.41 66.63 3h44 h THR 220 Cb 1.62 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 69.27 3h44 h THR 220 CO 0.14 0.12 -0.08 0.61 0.37 0.00 0.00 175.52 176.68 3h44 n GLY 221 N -0.49 -2.36 0.00 2.16 0.00 -1.26 -4.65 105.19 98.59 3h44 n GLY 221 Ca -0.09 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3h44 n GLY 221 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3h44 n ASN 222 N -2.39 0.00 -0.12 1.61 0.23 -1.26 -4.68 115.26 108.65 3h44 n ASN 222 Ca -0.01 -0.94 -0.03 0.00 -0.53 0.00 0.00 54.58 53.07 3h44 n ASN 222 Cb 0.05 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 37.94 3h44 n ASN 222 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3h44 h LYS 223 N 0.00 0.82 0.18 -3.83 1.63 -1.89 -2.10 116.57 111.38 3h44 h LYS 223 Ca 0.00 -0.17 -0.01 0.00 -0.85 0.00 0.00 60.65 59.62 3h44 h LYS 223 Cb 0.00 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.51 3h44 h LYS 223 CO 0.00 0.75 -0.09 -0.92 -3.45 0.00 0.00 179.45 175.74 3h44 h TYR 224 N 0.79 -0.22 0.00 1.91 3.20 -1.96 -0.47 116.97 120.21 3h44 h TYR 224 Ca 0.17 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3h44 h TYR 224 Cb 0.31 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.65 3h44 h TYR 224 CO 0.02 -0.02 -0.11 1.79 -1.64 0.00 0.00 178.16 178.20 3h44 h THR 225 N -0.38 0.00 -0.00 1.81 1.35 -1.87 0.19 112.91 114.00 3h44 h THR 225 Ca -0.02 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3h44 h THR 225 Cb 0.30 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 3h44 h THR 225 CO 0.04 0.00 -0.50 0.18 -0.25 0.00 0.00 175.52 174.99 3h44 n LEU 226 N -2.51 1.07 0.00 3.87 7.99 -0.80 -4.33 117.00 122.29 3h44 n LEU 226 Ca 0.05 -0.62 0.00 0.00 -0.01 0.00 0.00 56.01 55.42 3h44 n LEU 226 Cb 0.47 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.78 3h44 n LEU 226 CO 0.32 0.23 0.00 1.21 -1.51 0.00 0.00 177.39 177.64 3h44 n GLU 227 N -0.79 0.00 -0.24 3.23 2.13 -0.26 -4.80 120.64 119.91 3h44 n GLU 227 Ca 0.04 0.00 0.32 0.00 0.66 0.00 0.00 57.16 58.18 3h44 n GLU 227 Cb 0.26 0.00 0.72 0.00 0.27 0.00 0.00 31.44 32.70 3h44 n GLU 227 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 3h44 h THR 228 N 0.00 0.36 0.00 6.31 2.02 -1.23 0.30 112.91 120.67 3h44 h THR 228 Ca 0.00 0.00 -0.41 0.00 0.77 0.00 0.00 66.41 66.77 3h44 h THR 228 Cb 0.00 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 66.76 3h44 h THR 228 CO 0.00 0.00 -2.35 -1.14 0.37 0.00 0.00 175.52 172.40 3h44 n ARG 229 N -4.01 0.54 0.07 6.66 0.63 0.64 -3.72 116.66 117.48 3h44 n ARG 229 Ca 0.22 0.24 0.19 0.00 -0.92 0.00 0.00 57.85 57.58 3h44 n ARG 229 Cb 1.17 -1.40 0.74 0.00 0.45 0.00 0.00 32.46 33.41 3h44 n ARG 229 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 3h44 h PRO 230 N -0.91 0.00 -0.04 -0.14 0.11 -1.70 -0.86 132.00 128.46 3h44 h PRO 230 Ca -0.62 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.49 3h44 h PRO 230 Cb 1.53 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.64 3h44 h PRO 230 CO -0.37 0.00 -0.00 -0.91 -0.21 0.00 0.00 178.00 176.50 3h44 h ASN 231 N 0.00 0.07 -0.23 -2.05 -0.26 -1.11 0.93 115.58 112.93 3h44 h ASN 231 Ca 0.20 -0.34 0.07 0.00 -0.56 0.00 0.00 56.30 55.66 3h44 h ASN 231 Cb 0.91 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 38.14 3h44 h ASN 231 CO -0.00 0.39 0.17 1.56 -1.06 0.00 0.00 177.43 178.49 3h44 h GLN 232 N -0.26 0.00 -0.63 0.81 4.20 -1.29 -2.20 115.11 115.74 3h44 h GLN 232 Ca 0.01 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.50 3h44 h GLN 232 Cb 0.36 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.01 3h44 h GLN 232 CO 0.00 0.00 0.22 0.39 -0.67 0.00 0.00 178.83 178.77 3h44 n GLU 233 N -4.37 3.07 -3.98 1.46 1.02 -0.51 -4.95 120.64 112.38 3h44 n GLU 233 Ca 0.03 -3.06 -0.28 0.00 -0.02 0.00 0.00 57.16 53.82 3h44 n GLU 233 Cb 0.32 -2.08 -0.01 0.00 -0.02 0.00 0.00 31.44 29.65 3h44 n GLU 233 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h44 n GLY 234 N -0.52 -0.32 3.70 0.62 0.00 -0.83 -4.98 105.19 102.85 3h44 n GLY 234 Ca 0.39 0.15 -0.36 0.00 0.00 0.00 0.00 46.02 46.20 3h44 n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h44 s ILE 235 N -3.67 5.38 -0.62 -0.61 1.01 0.29 -5.04 121.20 117.95 3h44 s ILE 235 Ca 0.28 0.18 -0.25 0.00 0.00 0.00 0.00 60.65 60.87 3h44 s ILE 235 Cb -0.15 -3.48 0.05 0.00 0.01 0.00 0.00 42.46 38.89 3h44 s ILE 235 CO 0.88 0.40 1.03 -0.62 0.00 0.00 0.00 174.94 176.64 3h44 s ASP 236 N 0.65 6.26 0.08 3.58 2.15 -1.26 -4.65 116.67 123.49 3h44 s ASP 236 Ca 0.08 -0.53 -0.21 0.00 0.43 0.00 0.00 52.55 52.32 3h44 s ASP 236 Cb -0.12 -2.46 -0.11 0.00 -0.30 0.00 0.00 42.92 39.92 3h44 s ASP 236 CO 0.01 -1.43 1.62 0.58 -0.17 0.00 0.00 175.17 175.77 3h44 h VAL 237 N 6.02 1.15 -0.79 1.11 2.07 -1.94 -0.57 116.25 123.30 3h44 h VAL 237 Ca -0.27 -0.45 0.23 0.00 0.82 0.00 0.00 66.70 67.03 3h44 h VAL 237 Cb 1.07 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 3h44 h VAL 237 CO 1.16 0.14 0.66 -0.09 0.02 0.00 0.00 177.57 179.46 3h44 h ARG 238 N 0.06 0.00 -0.09 1.57 2.43 -1.91 0.43 114.38 116.87 3h44 h ARG 238 Ca 0.04 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 3h44 h ARG 238 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3h44 h ARG 238 CO -0.00 0.00 -0.28 1.96 -1.51 0.00 0.00 179.97 180.13 3h44 h GLN 239 N 0.00 0.35 -0.90 0.20 1.08 -1.55 -1.95 115.11 112.35 3h44 h GLN 239 Ca 0.37 -0.26 -0.01 0.00 -1.45 0.00 0.00 58.65 57.31 3h44 h GLN 239 Cb 1.69 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 29.12 3h44 h GLN 239 CO -0.00 0.88 0.51 0.93 -0.95 0.00 0.00 178.83 180.20 3h44 h GLU 240 N -0.11 1.24 -0.71 1.46 4.39 0.53 0.77 114.58 122.14 3h44 h GLU 240 Ca -0.01 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.50 3h44 h GLU 240 Cb 0.91 -0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 3h44 h GLU 240 CO 0.06 0.89 0.20 -0.07 -1.16 0.00 0.00 179.01 178.93 3h44 h LEU 241 N 1.25 1.05 -0.86 1.33 3.38 -0.44 0.15 115.31 121.16 3h44 h LEU 241 Ca 0.32 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3h44 h LEU 241 Cb -0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3h44 h LEU 241 CO -0.05 0.99 -0.25 -0.07 0.09 0.00 0.00 178.44 179.15 3h44 h LEU 242 N 1.05 0.57 0.10 1.67 3.38 -0.57 -2.56 115.31 118.95 3h44 h LEU 242 Ca 0.23 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3h44 h LEU 242 Cb 0.34 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3h44 h LEU 242 CO -0.00 0.80 -0.05 0.11 0.09 0.00 0.00 178.44 179.39 3h44 h LYS 243 N 0.49 -0.13 -0.65 1.13 1.79 0.11 -2.09 116.57 117.22 3h44 h LYS 243 Ca 0.07 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 3h44 h LYS 243 Cb 0.69 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.34 3h44 h LYS 243 CO 0.05 0.30 0.34 0.35 -1.08 0.00 0.00 179.45 179.42 3h44 h PHE 244 N -0.61 0.89 -0.09 -1.35 3.57 -0.82 0.14 116.94 118.68 3h44 h PHE 244 Ca -0.01 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 3h44 h PHE 244 Cb 0.49 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 3h44 h PHE 244 CO 0.07 0.63 0.02 1.25 -2.23 0.00 0.00 178.31 178.05 3h44 h HIS 245 N 0.91 0.15 -0.19 0.41 2.76 -1.44 -1.06 115.15 116.70 3h44 h HIS 245 Ca 0.23 -0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.28 3h44 h HIS 245 Cb 0.04 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 3h44 h HIS 245 CO 0.01 0.33 -0.33 1.03 -1.30 0.00 0.00 177.93 177.67 3h44 h SER 246 N -0.08 0.40 0.59 3.26 0.87 -1.07 0.12 113.55 117.64 3h44 h SER 246 Ca 0.03 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.41 3h44 h SER 246 Cb 0.26 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.12 3h44 h SER 246 CO 0.00 0.71 -0.28 0.00 -0.53 0.00 0.00 176.83 176.73 3h44 h ALA 247 N 1.31 -0.89 0.00 6.23 0.00 -0.67 -3.42 119.26 121.82 3h44 h ALA 247 Ca 0.04 -0.17 -0.35 0.00 0.00 0.00 0.00 54.91 54.43 3h44 h ALA 247 Cb 0.75 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 3h44 h ALA 247 CO 0.06 -0.83 -2.24 0.66 0.00 0.00 0.00 179.25 176.89 3h44 n TYR 248 N -4.88 0.21 -1.56 0.00 4.02 -0.41 -4.54 117.16 110.00 3h44 n TYR 248 Ca -0.10 0.08 -0.40 0.00 -0.01 0.00 0.00 57.90 57.47 3h44 n TYR 248 Cb 0.31 -1.03 -0.04 0.00 -0.02 0.00 0.00 39.34 38.55 3h44 n TYR 248 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3h44 n TYR 249 N -2.81 2.59 -4.74 -0.72 4.01 0.43 -4.86 117.16 111.06 3h44 n TYR 249 Ca -0.29 -2.04 -0.33 0.00 -0.16 0.00 0.00 57.90 55.07 3h44 n TYR 249 Cb 1.13 -2.12 -0.12 0.00 -0.31 0.00 0.00 39.34 37.92 3h44 n TYR 249 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3h44 s SER 250 N 4.90 4.38 0.59 7.72 0.15 -1.26 -4.84 113.70 125.34 3h44 s SER 250 Ca 0.57 -0.10 0.29 0.00 0.70 0.00 0.00 55.95 57.41 3h44 s SER 250 Cb 0.10 -1.04 1.47 0.00 -1.71 0.00 0.00 66.02 64.84 3h44 s SER 250 CO 0.08 0.35 1.89 0.77 1.20 0.00 0.00 173.24 177.53 3h44 h SER 251 N 5.32 0.00 1.36 5.45 4.64 -1.64 0.15 113.55 128.83 3h44 h SER 251 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3h44 h SER 251 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3h44 h SER 251 CO 0.52 0.00 -0.14 -0.46 -0.87 0.00 0.00 176.83 175.88 3h44 n ASN 252 N -3.67 0.82 -1.87 4.97 6.94 -1.25 -2.83 115.26 118.37 3h44 n ASN 252 Ca 0.08 0.48 -0.14 0.00 -0.02 0.00 0.00 54.58 54.99 3h44 n ASN 252 Cb 0.67 -0.60 0.22 0.00 -2.36 0.00 0.00 39.78 37.71 3h44 n ASN 252 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3h44 n LEU 253 N -2.26 5.86 -4.02 -4.53 4.77 0.04 -4.85 117.00 112.01 3h44 n LEU 253 Ca 0.05 -3.53 -0.20 0.00 -0.03 0.00 0.00 56.01 52.30 3h44 n LEU 253 Cb 0.44 -0.76 -0.15 0.00 -2.33 0.00 0.00 43.42 40.62 3h44 n LEU 253 CO 0.32 1.03 -0.44 -0.04 -1.33 0.00 0.00 177.39 176.93 3h44 s MET 254 N -3.20 0.86 -0.02 3.23 -1.94 -1.19 -0.67 119.30 116.36 3h44 s MET 254 Ca 0.53 -0.32 0.05 0.00 -1.71 0.00 0.00 55.69 54.24 3h44 s MET 254 Cb 0.45 -0.81 -0.01 0.00 2.01 0.00 0.00 34.83 36.46 3h44 s MET 254 CO 0.09 0.16 -0.18 0.00 -0.01 0.00 0.00 175.02 175.09 3h44 s ALA 255 N -0.03 1.49 -0.05 3.03 0.00 -0.09 -2.13 121.76 123.98 3h44 s ALA 255 Ca 0.01 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.26 3h44 s ALA 255 Cb -0.06 -0.40 -0.00 0.00 0.00 0.00 0.00 23.12 22.65 3h44 s ALA 255 CO -0.00 0.35 -0.18 0.08 0.00 0.00 0.00 175.76 176.00 3h44 s VAL 256 N -0.32 1.53 -0.07 0.00 1.01 -0.04 -0.67 120.40 121.83 3h44 s VAL 256 Ca 0.05 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.32 3h44 s VAL 256 Cb -0.08 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 3h44 s VAL 256 CO -0.00 0.44 -0.24 -0.69 0.00 0.00 0.00 175.10 174.61 3h44 s VAL 257 N 0.09 2.01 -0.09 2.92 1.01 -0.75 -1.15 120.40 124.45 3h44 s VAL 257 Ca -0.06 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 60.91 3h44 s VAL 257 Cb -0.13 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.56 3h44 s VAL 257 CO 0.03 0.56 -0.10 -0.69 0.00 0.00 0.00 175.10 174.90 3h44 s VAL 258 N 0.03 1.07 -0.10 2.92 1.01 -0.61 -1.45 120.40 123.27 3h44 s VAL 258 Ca -0.09 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.53 3h44 s VAL 258 Cb -0.15 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 3h44 s VAL 258 CO 0.05 0.36 -0.20 -0.22 0.00 0.00 0.00 175.10 175.09 3h44 s LEU 259 N 1.12 2.32 0.15 3.92 0.20 -0.02 0.43 118.68 126.80 3h44 s LEU 259 Ca -0.06 -0.46 -0.24 0.00 0.69 0.00 0.00 54.13 54.06 3h44 s LEU 259 Cb -0.14 -1.47 0.08 0.00 -0.43 0.00 0.00 46.19 44.22 3h44 s LEU 259 CO -0.02 0.19 1.07 -0.83 -0.29 0.00 0.00 176.35 176.47 3h44 s GLY 260 N 0.19 -0.00 0.41 7.98 0.00 -0.77 -1.18 107.32 113.96 3h44 s GLY 260 Ca -0.12 -0.16 0.27 0.00 0.00 0.00 0.00 44.72 44.72 3h44 s GLY 260 CO 0.07 2.16 1.79 3.21 0.00 0.00 0.00 173.10 180.33 3h44 h ARG 261 N 2.00 0.00 -6.82 2.90 3.08 -1.85 -0.99 114.38 112.70 3h44 h ARG 261 Ca -0.27 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.24 3h44 h ARG 261 Cb 1.22 0.00 0.20 0.00 0.08 0.00 0.00 29.97 31.47 3h44 h ARG 261 CO 0.33 0.00 -0.37 0.39 -1.07 0.00 0.00 179.97 179.26 3h44 n GLU 262 N -2.82 -0.05 -1.18 0.04 4.71 -1.26 -4.19 120.64 115.89 3h44 n GLU 262 Ca 0.03 0.04 -0.31 0.00 -0.01 0.00 0.00 57.16 56.91 3h44 n GLU 262 Cb 0.38 -1.95 0.11 0.00 -1.01 0.00 0.00 31.44 28.98 3h44 n GLU 262 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3h44 s SER 263 N -1.88 4.13 0.30 1.62 1.04 -1.26 -4.56 113.70 113.09 3h44 s SER 263 Ca 0.62 1.81 0.02 0.00 0.48 0.00 0.00 55.95 58.89 3h44 s SER 263 Cb -0.26 -2.47 0.59 0.00 0.10 0.00 0.00 66.02 63.97 3h44 s SER 263 CO 0.62 -2.27 1.87 -0.07 0.98 0.00 0.00 173.24 174.37 3h44 h LEU 264 N -1.29 0.87 -0.09 2.42 3.38 -1.94 0.22 115.31 118.88 3h44 h LEU 264 Ca -0.45 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 3h44 h LEU 264 Cb 1.24 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3h44 h LEU 264 CO 0.51 0.50 0.04 0.44 0.09 0.00 0.00 178.44 180.02 3h44 h ASP 265 N 0.96 0.13 0.52 -0.43 3.32 -1.99 0.19 116.42 119.12 3h44 h ASP 265 Ca 0.44 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 3h44 h ASP 265 Cb 0.41 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3h44 h ASP 265 CO -0.20 0.26 -0.47 0.44 -1.72 0.00 0.00 179.24 177.55 3h44 h ASP 266 N -0.01 -1.27 -0.96 6.45 3.45 -1.74 -0.33 116.42 122.01 3h44 h ASP 266 Ca 0.03 0.10 0.24 0.00 0.43 0.00 0.00 57.03 57.83 3h44 h ASP 266 Cb 0.17 0.41 -0.12 0.00 -0.56 0.00 0.00 39.33 39.23 3h44 h ASP 266 CO -0.00 -0.65 0.52 -0.07 -1.57 0.00 0.00 179.24 177.47 3h44 h LEU 267 N -0.98 0.55 0.55 1.55 3.38 -0.57 -0.68 115.31 119.11 3h44 h LEU 267 Ca -0.06 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3h44 h LEU 267 Cb 0.85 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3h44 h LEU 267 CO -0.04 0.06 -0.50 0.74 0.09 0.00 0.00 178.44 178.79 3h44 h THR 268 N 0.51 0.00 -0.71 0.22 2.02 0.02 -1.14 112.91 113.82 3h44 h THR 268 Ca 0.61 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.88 3h44 h THR 268 Cb 1.17 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 3h44 h THR 268 CO -0.50 0.00 0.47 0.78 0.37 0.00 0.00 175.52 176.64 3h44 h ASN 269 N -1.04 0.55 -0.03 4.18 2.35 -0.01 0.96 115.58 122.55 3h44 h ASN 269 Ca -0.07 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3h44 h ASN 269 Cb 0.89 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 39.15 3h44 h ASN 269 CO -0.03 0.34 0.01 0.25 -1.65 0.00 0.00 177.43 176.34 3h44 h LEU 270 N 0.62 0.05 -0.38 1.61 7.12 -1.06 0.15 115.31 123.42 3h44 h LEU 270 Ca 0.32 -0.25 -0.08 0.00 0.13 0.00 0.00 57.88 58.00 3h44 h LEU 270 Cb 0.45 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.55 3h44 h LEU 270 CO -0.11 0.28 -0.08 0.58 -0.13 0.00 0.00 178.44 178.98 3h44 h VAL 271 N -0.19 1.27 -0.23 1.05 2.07 -0.42 -2.10 116.25 117.70 3h44 h VAL 271 Ca 0.01 -1.15 0.06 0.00 0.82 0.00 0.00 66.70 66.44 3h44 h VAL 271 Cb 0.26 1.24 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 3h44 h VAL 271 CO 0.00 0.38 -0.27 0.58 0.02 0.00 0.00 177.57 178.28 3h44 h VAL 272 N 0.53 0.35 -0.31 2.57 2.07 -0.73 -1.66 116.25 119.07 3h44 h VAL 272 Ca 0.10 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.66 3h44 h VAL 272 Cb 0.59 0.35 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 3h44 h VAL 272 CO 0.03 0.00 -0.55 0.50 0.02 0.00 0.00 177.57 177.57 3h44 h LYS 273 N -0.28 -0.45 -0.00 1.57 3.64 -0.52 -2.23 116.57 118.29 3h44 h LYS 273 Ca 0.13 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3h44 h LYS 273 Cb 0.49 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3h44 h LYS 273 CO -0.39 -0.30 -0.14 1.28 -2.27 0.00 0.00 179.45 177.63 3h44 n LEU 274 N -5.40 0.39 0.00 5.20 4.77 -0.80 -4.31 117.00 116.84 3h44 n LEU 274 Ca -0.04 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3h44 n LEU 274 Cb 0.36 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3h44 n LEU 274 CO 0.04 0.08 0.04 0.49 -1.33 0.00 0.00 177.39 176.70 3h44 n PHE 275 N -1.12 0.00 0.21 -1.77 3.01 -0.66 -4.73 117.46 112.41 3h44 n PHE 275 Ca 0.12 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.65 3h44 n PHE 275 Cb 0.29 0.00 0.46 0.00 -0.01 0.00 0.00 39.48 40.22 3h44 n PHE 275 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3h44 h SER 276 N 0.00 0.00 -0.04 4.37 0.02 -1.57 -2.90 113.55 113.44 3h44 h SER 276 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3h44 h SER 276 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 3h44 h SER 276 CO 0.00 0.30 0.00 1.21 -1.14 0.00 0.00 176.83 177.20 3h44 n GLU 277 N -3.80 1.13 -2.99 3.45 2.13 -1.26 -4.74 120.64 114.56 3h44 n GLU 277 Ca -0.01 -0.19 -0.40 0.00 0.66 0.00 0.00 57.16 57.21 3h44 n GLU 277 Cb 0.39 -1.24 -0.04 0.00 0.27 0.00 0.00 31.44 30.81 3h44 n GLU 277 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3h44 s VAL 278 N -1.95 4.95 0.02 6.31 1.01 -1.10 -4.98 120.40 124.67 3h44 s VAL 278 Ca 0.22 1.57 -0.30 0.00 0.00 0.00 0.00 61.98 63.47 3h44 s VAL 278 Cb 0.11 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3h44 s VAL 278 CO 0.17 0.26 1.14 -0.70 0.00 0.00 0.00 175.10 175.98 3h44 s GLU 279 N 0.63 4.45 -0.51 2.72 2.12 -1.26 -4.63 118.70 122.23 3h44 s GLU 279 Ca 0.40 1.65 -0.29 0.00 0.36 0.00 0.00 54.97 57.10 3h44 s GLU 279 Cb -0.19 -3.41 0.03 0.00 0.26 0.00 0.00 34.13 30.82 3h44 s GLU 279 CO 0.21 -0.23 1.14 1.21 -0.54 0.00 0.00 175.26 177.05 3h44 s ASN 280 N 1.11 6.57 0.00 -1.70 3.84 -1.26 -1.91 114.94 121.59 3h44 s ASN 280 Ca 0.56 0.33 0.21 0.00 0.21 0.00 0.00 52.86 54.18 3h44 s ASN 280 Cb -0.26 -2.55 0.61 0.00 -0.55 0.00 0.00 41.25 38.50 3h44 s ASN 280 CO 0.27 -1.32 1.51 0.29 -2.79 0.00 0.00 177.10 175.07 3h44 n LYS 281 N 8.00 2.60 -3.91 0.43 4.76 -1.26 -4.94 118.16 123.84 3h44 n LYS 281 Ca 0.11 -2.49 -0.31 0.00 -2.87 0.00 0.00 58.31 52.75 3h44 n LYS 281 Cb 0.49 -1.54 -0.01 0.00 -1.84 0.00 0.00 35.03 32.13 3h44 n LYS 281 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3h44 n ASN 282 N 1.53 -3.67 -4.72 4.39 3.02 -1.26 -4.88 115.26 109.67 3h44 n ASN 282 Ca 0.23 -0.77 -0.42 0.00 -0.03 0.00 0.00 54.58 53.59 3h44 n ASN 282 Cb 0.58 -3.00 -0.03 0.00 -0.61 0.00 0.00 39.78 36.73 3h44 n ASN 282 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3h44 s VAL 283 N -3.16 3.14 0.20 2.41 1.01 -1.26 -4.96 120.40 117.77 3h44 s VAL 283 Ca 0.63 0.84 -0.31 0.00 0.00 0.00 0.00 61.98 63.14 3h44 s VAL 283 Cb -0.34 -3.54 -0.10 0.00 0.00 0.00 0.00 36.38 32.41 3h44 s VAL 283 CO 0.77 0.08 1.49 -2.16 0.00 0.00 0.00 175.10 175.29 3h44 s PRO 284 N 0.88 4.25 -0.19 2.72 0.04 -1.26 -4.90 135.00 136.53 3h44 s PRO 284 Ca 0.64 2.31 -0.29 0.00 0.04 0.00 0.00 61.00 63.70 3h44 s PRO 284 Cb -0.38 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.00 3h44 s PRO 284 CO 0.32 -0.51 1.36 -1.17 0.04 0.00 0.00 177.00 177.04 3h44 s LEU 285 N 0.48 4.09 0.29 -3.56 0.20 -1.26 -4.96 118.68 113.95 3h44 s LEU 285 Ca 0.65 1.62 -0.29 0.00 0.69 0.00 0.00 54.13 56.80 3h44 s LEU 285 Cb -0.42 -3.54 -0.13 0.00 -0.43 0.00 0.00 46.19 41.67 3h44 s LEU 285 CO 0.36 -0.92 1.20 -2.65 -0.29 0.00 0.00 176.35 174.06 3h44 n PRO 286 N 6.96 1.76 -4.36 0.98 -0.02 -1.26 -5.01 135.00 134.06 3h44 n PRO 286 Ca 0.15 0.62 -0.25 0.00 -2.02 0.00 0.00 63.50 62.00 3h44 n PRO 286 Cb 0.45 -2.13 -0.12 0.00 -0.02 0.00 0.00 33.50 31.68 3h44 n PRO 286 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3h44 s GLU 287 N -1.38 1.33 -0.39 -0.52 2.56 -1.26 -4.86 118.70 114.17 3h44 s GLU 287 Ca 0.60 -1.38 0.08 0.00 0.00 0.00 0.00 54.97 54.28 3h44 s GLU 287 Cb -0.65 -1.57 0.26 0.00 2.00 0.00 0.00 34.13 34.16 3h44 s GLU 287 CO 0.58 0.34 0.55 1.19 -0.56 0.00 0.00 175.26 177.37 3h44 n PHE 288 N 0.55 -0.46 0.17 5.30 3.72 -0.34 -4.96 117.46 121.43 3h44 n PHE 288 Ca -0.15 -3.50 0.02 0.00 -0.05 0.00 0.00 57.45 53.77 3h44 n PHE 288 Cb 0.55 -0.27 0.30 0.00 -0.94 0.00 0.00 39.48 39.13 3h44 n PHE 288 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3h44 h PRO 289 N 3.94 0.00 -6.32 -1.08 0.11 -1.87 -3.34 132.00 123.44 3h44 h PRO 289 Ca 0.06 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.63 3h44 h PRO 289 Cb 0.89 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 3h44 h PRO 289 CO 0.46 0.45 0.92 -1.21 -0.21 0.00 0.00 178.00 178.41 3h44 s GLU 290 N -3.91 4.24 0.26 1.05 0.41 -1.26 -4.79 118.70 114.71 3h44 s GLU 290 Ca -0.02 2.01 -0.29 0.00 -0.41 0.00 0.00 54.97 56.26 3h44 s GLU 290 Cb 0.13 -3.71 -0.09 0.00 -1.78 0.00 0.00 34.13 28.68 3h44 s GLU 290 CO 0.73 -0.68 1.23 -1.58 -0.49 0.00 0.00 175.26 174.47 3h44 s HIS 291 N 2.99 3.32 0.35 1.61 2.46 -1.26 -4.87 115.29 119.89 3h44 s HIS 291 Ca 0.66 1.45 0.33 0.00 0.47 0.00 0.00 55.06 57.97 3h44 s HIS 291 Cb -0.31 -3.50 1.60 0.00 -0.13 0.00 0.00 32.58 30.24 3h44 s HIS 291 CO 0.26 -1.36 2.09 -1.35 -2.47 0.00 0.00 174.74 171.91 3h44 h PRO 292 N 4.32 0.00 -4.33 2.88 0.11 -1.94 -3.36 132.00 129.68 3h44 h PRO 292 Ca -0.46 0.00 -0.74 0.00 0.11 0.00 0.00 66.00 64.91 3h44 h PRO 292 Cb 1.22 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.10 3h44 h PRO 292 CO 0.70 0.07 -0.35 -0.06 -0.21 0.00 0.00 178.00 178.15 3h44 s PHE 293 N -3.98 3.25 0.04 0.65 0.08 -1.26 0.00 117.98 116.76 3h44 s PHE 293 Ca -0.02 -0.95 0.01 0.00 0.12 0.00 0.00 56.93 56.09 3h44 s PHE 293 Cb 0.12 -3.12 0.01 0.00 -0.57 0.00 0.00 43.02 39.45 3h44 s PHE 293 CO 0.54 -0.79 0.05 1.04 -0.10 0.00 0.00 175.22 175.96 3h44 n GLN 294 N 5.18 1.07 -0.31 0.44 1.13 -1.26 -4.93 117.38 118.71 3h44 n GLN 294 Ca -0.12 -0.20 -0.08 0.00 -1.94 0.00 0.00 57.00 54.66 3h44 n GLN 294 Cb 0.44 -0.01 -0.07 0.00 0.11 0.00 0.00 30.24 30.71 3h44 n GLN 294 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3h44 n GLU 295 N -0.98 -0.32 0.13 -1.09 4.07 -1.26 -1.28 120.64 119.91 3h44 n GLU 295 Ca 0.01 1.30 0.12 0.00 -0.06 0.00 0.00 57.16 58.53 3h44 n GLU 295 Cb 0.04 -1.92 0.48 0.00 -0.06 0.00 0.00 31.44 29.98 3h44 n GLU 295 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 3h44 n GLU 296 N -4.68 0.21 0.00 5.31 0.00 -1.26 -1.90 120.64 118.32 3h44 n GLU 296 Ca 0.01 0.39 0.13 0.00 0.00 0.00 0.00 57.16 57.69 3h44 n GLU 296 Cb 0.19 -1.87 0.45 0.00 0.00 0.00 0.00 31.44 30.22 3h44 n GLU 296 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3h44 n HIS 297 N -2.26 0.00 -2.68 -1.84 8.25 -0.40 -4.88 115.22 111.41 3h44 n HIS 297 Ca 0.03 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.26 3h44 n HIS 297 Cb 0.27 -0.19 0.03 0.00 1.12 0.00 0.00 29.99 31.22 3h44 n HIS 297 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3h44 s LEU 298 N -2.62 3.35 -1.59 2.41 1.43 -0.80 -4.37 118.68 116.48 3h44 s LEU 298 Ca 0.23 0.22 -0.15 0.00 -1.03 0.00 0.00 54.13 53.39 3h44 s LEU 298 Cb 0.19 -3.07 0.11 0.00 0.03 0.00 0.00 46.19 43.46 3h44 s LEU 298 CO 0.54 -1.03 0.88 0.29 0.23 0.00 0.00 176.35 177.26 3h44 n LYS 299 N -2.34 -4.51 -4.34 1.70 5.02 -0.14 -4.97 118.16 108.58 3h44 n LYS 299 Ca 0.05 0.50 -0.33 0.00 -2.02 0.00 0.00 58.31 56.52 3h44 n LYS 299 Cb 0.59 -5.30 -0.09 0.00 -0.02 0.00 0.00 35.03 30.21 3h44 n LYS 299 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3h44 s GLN 300 N -6.73 2.74 -0.10 1.97 -1.52 -1.24 -1.07 119.66 113.70 3h44 s GLN 300 Ca 0.66 -0.62 0.03 0.00 -1.95 0.00 0.00 55.36 53.47 3h44 s GLN 300 Cb -0.34 -2.63 -0.01 0.00 -0.22 0.00 0.00 33.01 29.81 3h44 s GLN 300 CO 0.87 0.62 -0.19 -1.17 -0.25 0.00 0.00 175.29 175.17 3h44 s LEU 301 N -1.46 2.37 -0.08 2.90 2.96 0.94 -1.57 118.68 124.74 3h44 s LEU 301 Ca 0.18 -0.44 0.05 0.00 -0.22 0.00 0.00 54.13 53.70 3h44 s LEU 301 Cb -0.11 -1.49 -0.00 0.00 0.50 0.00 0.00 46.19 45.08 3h44 s LEU 301 CO 0.09 0.18 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.76 3h44 s TYR 302 N 0.22 2.40 -0.22 5.38 1.51 -0.33 -1.54 117.35 124.78 3h44 s TYR 302 Ca -0.12 -0.88 -0.05 0.00 -1.01 0.00 0.00 57.07 55.01 3h44 s TYR 302 Cb -0.16 -1.60 -0.02 0.00 -0.11 0.00 0.00 41.96 40.07 3h44 s TYR 302 CO 0.07 -0.34 -0.01 0.15 -1.11 0.00 0.00 175.55 174.31 3h44 s LYS 303 N 0.20 3.49 -0.04 -0.62 1.02 -0.28 -0.72 119.74 122.79 3h44 s LYS 303 Ca -0.13 -0.57 0.04 0.00 0.02 0.00 0.00 55.97 55.32 3h44 s LYS 303 Cb -0.16 -3.08 -0.00 0.00 -0.52 0.00 0.00 37.83 34.07 3h44 s LYS 303 CO 0.07 -0.14 -0.16 0.42 -0.92 0.00 0.00 175.35 174.62 3h44 s ILE 304 N 1.37 1.35 -0.27 2.17 1.01 0.69 -1.18 121.20 126.34 3h44 s ILE 304 Ca 0.04 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 59.88 3h44 s ILE 304 Cb -0.14 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 3h44 s ILE 304 CO -0.00 0.39 0.37 -0.69 0.00 0.00 0.00 174.94 175.00 3h44 s VAL 305 N 0.06 5.18 0.64 2.92 1.01 -0.83 -0.75 120.40 128.63 3h44 s VAL 305 Ca -0.04 0.53 -0.02 0.00 0.00 0.00 0.00 61.98 62.46 3h44 s VAL 305 Cb -0.11 -3.70 0.06 0.00 0.00 0.00 0.00 36.38 32.64 3h44 s VAL 305 CO 0.02 0.15 0.90 -2.16 0.00 0.00 0.00 175.10 174.01 3h44 s PRO 306 N 2.06 2.23 -0.14 2.72 0.04 -1.26 -4.53 135.00 136.11 3h44 s PRO 306 Ca 0.15 -0.68 -0.22 0.00 0.04 0.00 0.00 61.00 60.29 3h44 s PRO 306 Cb -0.16 -2.35 -0.20 0.00 0.04 0.00 0.00 34.50 31.84 3h44 s PRO 306 CO 0.10 -1.05 0.51 0.82 0.04 0.00 0.00 177.00 177.42 3h44 h ILE 307 N -0.28 1.27 -4.33 0.56 1.08 -1.96 -3.46 117.51 110.40 3h44 h ILE 307 Ca -0.42 -2.04 -0.51 0.00 -0.39 0.00 0.00 64.86 61.51 3h44 h ILE 307 Cb 1.30 2.49 0.07 0.00 -3.07 0.00 0.00 36.82 37.60 3h44 h ILE 307 CO 0.52 0.43 0.40 -0.54 -0.69 0.00 0.00 178.15 178.27 3h44 s LYS 308 N -2.13 3.43 -1.21 2.37 1.02 -1.26 -4.95 119.74 117.00 3h44 s LYS 308 Ca -0.17 0.86 -0.17 0.00 0.02 0.00 0.00 55.97 56.50 3h44 s LYS 308 Cb -0.01 -2.06 0.11 0.00 -0.52 0.00 0.00 37.83 35.35 3h44 s LYS 308 CO 0.54 -0.71 1.55 0.34 -0.92 0.00 0.00 175.35 176.15 3h44 s ASP 309 N -3.87 6.86 0.06 2.83 2.15 -1.26 -4.90 116.67 118.55 3h44 s ASP 309 Ca 0.57 -2.49 0.08 0.00 0.43 0.00 0.00 52.55 51.13 3h44 s ASP 309 Cb -0.12 -2.50 -0.03 0.00 -0.30 0.00 0.00 42.92 39.97 3h44 s ASP 309 CO 0.51 -1.06 -0.21 0.27 -0.17 0.00 0.00 175.17 174.51 3h44 s ILE 310 N 3.29 1.74 -0.21 4.11 -4.36 -1.26 -4.87 121.20 119.63 3h44 s ILE 310 Ca 0.48 -1.31 -0.01 0.00 -0.26 0.00 0.00 60.65 59.55 3h44 s ILE 310 Cb 0.01 -1.53 0.02 0.00 1.25 0.00 0.00 42.46 42.21 3h44 s ILE 310 CO 0.02 0.15 -0.12 -0.13 0.24 0.00 0.00 174.94 175.10 3h44 s ARG 311 N -1.38 2.97 0.00 0.37 0.52 -1.26 -4.20 118.95 115.97 3h44 s ARG 311 Ca 0.08 -0.87 -0.02 0.00 -0.52 0.00 0.00 55.73 54.40 3h44 s ARG 311 Cb -0.09 -2.80 -0.01 0.00 0.52 0.00 0.00 34.95 32.57 3h44 s ARG 311 CO 0.03 -0.29 0.04 -0.80 0.02 0.00 0.00 175.30 174.30 3h44 s ASN 312 N 1.32 0.08 -0.20 0.23 0.01 -0.08 -1.46 114.94 114.83 3h44 s ASN 312 Ca 0.03 -0.20 0.01 0.00 -0.71 0.00 0.00 52.86 51.99 3h44 s ASN 312 Cb -0.15 0.13 0.04 0.00 0.41 0.00 0.00 41.25 41.68 3h44 s ASN 312 CO -0.08 -0.21 -0.14 -0.22 -1.51 0.00 0.00 177.10 174.94 3h44 s LEU 313 N -0.88 2.44 -0.31 0.60 2.96 -0.66 0.21 118.68 123.03 3h44 s LEU 313 Ca -0.10 -0.89 -0.06 0.00 -0.22 0.00 0.00 54.13 52.86 3h44 s LEU 313 Cb -0.06 -1.37 0.02 0.00 0.50 0.00 0.00 46.19 45.28 3h44 s LEU 313 CO -0.00 -0.10 0.09 -0.31 -1.32 0.00 0.00 176.35 174.70 3h44 s TYR 314 N 1.31 3.19 -0.22 5.38 2.02 0.17 -2.06 117.35 127.14 3h44 s TYR 314 Ca -0.00 -1.20 -0.07 0.00 -0.37 0.00 0.00 57.07 55.42 3h44 s TYR 314 Cb -0.16 -2.26 -0.03 0.00 -0.40 0.00 0.00 41.96 39.11 3h44 s TYR 314 CO -0.09 -0.65 0.06 0.08 -1.57 0.00 0.00 175.55 173.38 3h44 s VAL 315 N 1.45 4.50 -0.04 0.71 1.01 -0.25 -1.32 120.40 126.46 3h44 s VAL 315 Ca 0.01 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.87 3h44 s VAL 315 Cb -0.18 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.16 3h44 s VAL 315 CO 0.02 0.39 -0.04 0.28 0.00 0.00 0.00 175.10 175.76 3h44 s THR 316 N 1.04 0.46 -0.09 3.92 -1.32 -0.17 -0.70 115.64 118.77 3h44 s THR 316 Ca 0.04 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.43 3h44 s THR 316 Cb -0.14 -0.49 -0.03 0.00 -1.51 0.00 0.00 72.50 70.33 3h44 s THR 316 CO 0.03 0.20 -0.08 -0.36 -2.21 0.00 0.00 174.62 172.20 3h44 s PHE 317 N 0.86 2.90 0.24 9.09 0.40 -0.31 -0.57 117.98 130.58 3h44 s PHE 317 Ca -0.11 -0.14 -0.30 0.00 -0.60 0.00 0.00 56.93 55.78 3h44 s PHE 317 Cb -0.14 -1.76 -0.09 0.00 0.51 0.00 0.00 43.02 41.55 3h44 s PHE 317 CO -0.00 0.18 1.05 -1.25 0.70 0.00 0.00 175.22 175.90 3h44 s PRO 318 N -0.45 4.69 0.13 0.24 0.04 -1.26 -0.58 135.00 137.81 3h44 s PRO 318 Ca 0.06 1.69 0.03 0.00 0.04 0.00 0.00 61.00 62.82 3h44 s PRO 318 Cb -0.12 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 3h44 s PRO 318 CO 0.02 0.25 -0.07 0.96 0.04 0.00 0.00 177.00 178.20 3h44 s ILE 319 N -0.88 0.92 0.92 0.56 -4.36 -0.65 -4.87 121.20 112.84 3h44 s ILE 319 Ca 0.45 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.69 3h44 s ILE 319 Cb -0.29 -1.82 0.16 0.00 1.25 0.00 0.00 42.46 41.76 3h44 s ILE 319 CO 0.37 -0.76 1.25 -2.16 0.24 0.00 0.00 174.94 173.87 3h44 s PRO 320 N -3.80 0.99 -0.38 0.37 0.04 -1.26 -1.16 135.00 129.79 3h44 s PRO 320 Ca 0.16 -0.15 -0.27 0.00 0.04 0.00 0.00 61.00 60.77 3h44 s PRO 320 Cb 0.04 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 3h44 s PRO 320 CO -0.01 -2.21 2.16 0.34 0.04 0.00 0.00 177.00 177.31 3h44 s ASP 321 N -4.64 5.16 0.00 6.66 3.68 -1.11 -4.04 116.67 122.38 3h44 s ASP 321 Ca 0.69 1.30 0.28 0.00 2.13 0.00 0.00 52.55 56.95 3h44 s ASP 321 Cb -0.08 -2.51 1.52 0.00 -1.45 0.00 0.00 42.92 40.40 3h44 s ASP 321 CO 0.52 -2.28 2.00 0.18 0.13 0.00 0.00 175.17 175.71 3h44 n LEU 322 N 13.01 0.00 -0.25 -1.34 4.77 -1.26 -4.40 117.00 127.52 3h44 n LEU 322 Ca 0.30 0.19 0.06 0.00 -0.03 0.00 0.00 56.01 56.52 3h44 n LEU 322 Cb 0.50 -0.19 0.19 0.00 -2.33 0.00 0.00 43.42 41.59 3h44 n LEU 322 CO 0.69 -0.02 0.93 -0.61 -1.33 0.00 0.00 177.39 177.05 3h44 h GLN 323 N 0.00 0.26 0.00 3.23 5.75 -1.98 0.11 115.11 122.47 3h44 h GLN 323 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3h44 h GLN 323 Cb 0.17 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.66 3h44 h GLN 323 CO 0.00 0.17 0.00 1.57 -2.65 0.00 0.00 178.83 177.92 3h44 h LYS 324 N 0.27 0.00 -0.72 1.69 2.10 -1.99 -2.32 116.57 115.59 3h44 h LYS 324 Ca 0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.07 3h44 h LYS 324 Cb 0.73 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 3h44 h LYS 324 CO -0.52 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 177.59 3h44 n TYR 325 N -2.89 0.37 0.20 0.07 4.01 0.38 -4.54 117.16 114.76 3h44 n TYR 325 Ca -0.01 -0.14 0.09 0.00 -0.16 0.00 0.00 57.90 57.69 3h44 n TYR 325 Cb 0.20 -0.14 0.63 0.00 -0.31 0.00 0.00 39.34 39.71 3h44 n TYR 325 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 3h44 h TYR 326 N 0.83 0.05 0.00 -0.72 -0.00 -1.54 0.59 116.97 116.19 3h44 h TYR 326 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.71 3h44 h TYR 326 Cb 0.65 -0.02 -0.00 0.00 0.00 0.00 0.00 36.73 37.36 3h44 h TYR 326 CO 0.19 0.03 -0.11 0.87 -0.00 0.00 0.00 178.16 179.14 3h44 h LYS 327 N 0.05 0.00 0.00 0.10 1.57 -1.88 -3.32 116.57 113.09 3h44 h LYS 327 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3h44 h LYS 327 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3h44 h LYS 327 CO -0.00 0.11 -0.91 -1.13 -0.57 0.00 0.00 179.45 176.94 3h44 n SER 328 N -4.29 4.57 -1.05 0.86 3.41 -0.24 -0.34 113.62 116.54 3h44 n SER 328 Ca -0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.48 3h44 n SER 328 Cb 0.19 0.75 -0.02 0.00 -0.26 0.00 0.00 64.21 64.88 3h44 n SER 328 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3h44 n ASN 329 N -1.55 -3.66 -0.60 4.04 4.05 0.19 -4.71 115.26 113.02 3h44 n ASN 329 Ca 0.00 0.07 0.47 0.00 0.45 0.00 0.00 54.58 55.57 3h44 n ASN 329 Cb 0.16 -2.66 0.75 0.00 1.23 0.00 0.00 39.78 39.26 3h44 n ASN 329 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 3h44 n PRO 330 N -2.20 -0.01 -0.05 1.20 -0.04 -1.26 -0.21 135.00 132.43 3h44 n PRO 330 Ca -0.12 1.12 -0.04 0.00 -0.04 0.00 0.00 63.50 64.43 3h44 n PRO 330 Cb 0.52 -2.43 0.18 0.00 -0.04 0.00 0.00 33.50 31.73 3h44 n PRO 330 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3h44 h GLY 331 N 0.00 0.69 0.97 0.55 0.00 -1.94 -2.61 103.07 100.73 3h44 h GLY 331 Ca 0.89 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 47.68 3h44 h GLY 331 CO -0.19 0.47 0.15 0.84 0.00 0.00 0.00 176.54 177.81 3h44 h HIS 332 N 0.58 0.79 -0.38 5.60 -0.00 -0.99 -0.43 115.15 120.33 3h44 h HIS 332 Ca 0.10 -0.08 0.07 0.00 -0.00 0.00 0.00 60.37 60.46 3h44 h HIS 332 Cb 0.56 -0.23 -0.07 0.00 -0.00 0.00 0.00 27.41 27.67 3h44 h HIS 332 CO 0.02 0.69 -0.06 -0.92 -0.00 0.00 0.00 177.93 177.66 3h44 h TYR 333 N 0.65 -0.14 -0.04 5.26 3.20 -1.62 0.80 116.97 125.09 3h44 h TYR 333 Ca 0.16 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.91 3h44 h TYR 333 Cb 0.28 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 3h44 h TYR 333 CO 0.01 -0.13 -0.64 -0.07 -1.64 0.00 0.00 178.16 175.69 3h44 h LEU 334 N 0.03 0.20 0.08 2.82 3.38 -1.40 -2.68 115.31 117.74 3h44 h LEU 334 Ca 0.18 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3h44 h LEU 334 Cb 0.27 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3h44 h LEU 334 CO -0.36 0.79 -0.04 1.23 0.09 0.00 0.00 178.44 180.15 3h44 h GLY 335 N 1.63 -0.11 -0.07 0.83 0.00 -0.10 0.26 103.07 105.51 3h44 h GLY 335 Ca -0.01 0.04 0.14 0.00 0.00 0.00 0.00 47.33 47.50 3h44 h GLY 335 CO 0.10 -0.04 0.06 0.84 0.00 0.00 0.00 176.54 177.50 3h44 h HIS 336 N -0.26 0.07 0.23 5.60 -0.00 0.63 0.46 115.15 121.88 3h44 h HIS 336 Ca -0.01 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 3h44 h HIS 336 Cb 0.22 0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.70 3h44 h HIS 336 CO -0.02 -0.14 -0.11 -0.07 -0.00 0.00 0.00 177.93 177.59 3h44 h LEU 337 N 0.17 -0.26 -0.70 0.26 4.07 -1.27 -2.69 115.31 114.89 3h44 h LEU 337 Ca 0.36 -0.04 0.03 0.00 0.08 0.00 0.00 57.88 58.31 3h44 h LEU 337 Cb 0.59 0.07 -0.04 0.00 1.08 0.00 0.00 40.66 42.35 3h44 h LEU 337 CO -0.52 0.22 0.45 0.40 -1.08 0.00 0.00 178.44 177.90 3h44 h ILE 338 N -1.07 1.11 -0.05 1.22 5.03 -0.52 -2.18 117.51 121.06 3h44 h ILE 338 Ca -0.03 -0.30 0.00 0.00 -0.12 0.00 0.00 64.86 64.41 3h44 h ILE 338 Cb 0.28 0.16 0.00 0.00 -3.03 0.00 0.00 36.82 34.23 3h44 h ILE 338 CO 0.05 0.16 0.00 0.61 -0.68 0.00 0.00 178.15 178.29 3h44 n GLY 339 N -1.29 -0.73 3.73 5.37 0.00 0.15 -4.67 105.19 107.75 3h44 n GLY 339 Ca 0.07 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 3h44 n GLY 339 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3h44 s HIS 340 N -1.94 2.14 0.00 1.61 5.04 -0.82 -4.82 115.29 116.49 3h44 s HIS 340 Ca 0.16 1.55 0.00 0.00 -1.54 0.00 0.00 55.06 55.23 3h44 s HIS 340 Cb 0.08 -3.53 0.00 0.00 0.04 0.00 0.00 32.58 29.17 3h44 s HIS 340 CO 0.12 -2.60 0.41 0.39 -2.34 0.00 0.00 174.74 170.73 3h44 n GLU 341 N -2.25 -0.59 -0.38 2.88 1.02 -1.26 -4.28 120.64 115.78 3h44 n GLU 341 Ca 0.14 -0.44 -0.07 0.00 -0.02 0.00 0.00 57.16 56.78 3h44 n GLU 341 Cb 0.49 -0.88 0.05 0.00 -0.02 0.00 0.00 31.44 31.08 3h44 n GLU 341 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h44 n GLY 342 N -0.02 -1.53 3.65 0.62 0.00 -1.26 -4.32 105.19 102.32 3h44 n GLY 342 Ca 0.00 -1.63 -0.45 0.00 0.00 0.00 0.00 46.02 43.95 3h44 n GLY 342 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h44 n PRO 343 N -1.79 1.81 0.00 1.61 -0.02 -1.26 -1.77 135.00 133.58 3h44 n PRO 343 Ca 0.04 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3h44 n PRO 343 Cb 0.13 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3h44 n PRO 343 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h44 n GLY 344 N 1.62 3.16 3.76 -1.23 0.00 -1.26 -4.65 105.19 106.60 3h44 n GLY 344 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 3h44 n GLY 344 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h44 s SER 345 N -0.12 5.41 0.20 1.61 1.04 -0.73 -2.19 113.70 118.91 3h44 s SER 345 Ca 0.00 2.33 -0.21 0.00 0.48 0.00 0.00 55.95 58.56 3h44 s SER 345 Cb 0.00 -2.59 0.14 0.00 0.10 0.00 0.00 66.02 63.66 3h44 s SER 345 CO 0.00 -1.44 1.48 -0.11 0.98 0.00 0.00 173.24 174.15 3h44 n LEU 346 N -1.42 -0.74 -0.33 2.42 7.94 -1.26 -0.94 117.00 122.67 3h44 n LEU 346 Ca 0.13 1.68 0.11 0.00 -1.11 0.00 0.00 56.01 56.81 3h44 n LEU 346 Cb 0.50 -0.33 0.31 0.00 0.53 0.00 0.00 43.42 44.43 3h44 n LEU 346 CO 0.44 -1.46 1.22 0.25 -1.11 0.00 0.00 177.39 176.73 3h44 h LEU 347 N 0.00 0.79 0.05 -1.96 6.46 -1.85 -2.55 115.31 116.25 3h44 h LEU 347 Ca 0.28 0.06 0.03 0.00 -0.12 0.00 0.00 57.88 58.12 3h44 h LEU 347 Cb 0.52 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 40.30 3h44 h LEU 347 CO -0.93 0.38 -0.36 0.28 -0.62 0.00 0.00 178.44 177.18 3h44 h SER 348 N 0.82 -1.08 -0.55 1.25 0.02 -1.31 0.80 113.55 113.50 3h44 h SER 348 Ca 0.50 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.56 3h44 h SER 348 Cb 0.69 0.42 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 3h44 h SER 348 CO -0.27 -0.43 0.27 -0.08 -1.14 0.00 0.00 176.83 175.18 3h44 h GLU 349 N -0.55 0.78 -0.55 3.45 4.57 -1.43 0.31 114.58 121.17 3h44 h GLU 349 Ca 0.04 -0.11 0.04 0.00 -1.18 0.00 0.00 59.36 58.15 3h44 h GLU 349 Cb 0.61 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 3h44 h GLU 349 CO -0.26 0.64 0.36 -0.07 -1.18 0.00 0.00 179.01 178.50 3h44 h LEU 350 N 0.74 0.51 0.01 1.64 3.38 -1.19 -0.78 115.31 119.61 3h44 h LEU 350 Ca 0.19 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3h44 h LEU 350 Cb 0.10 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3h44 h LEU 350 CO -0.03 0.35 -0.11 0.50 0.09 0.00 0.00 178.44 179.24 3h44 h LYS 351 N 0.59 0.06 -0.89 1.13 3.64 -0.37 -0.79 116.57 119.93 3h44 h LYS 351 Ca 0.22 -0.08 0.16 0.00 -1.27 0.00 0.00 60.65 59.69 3h44 h LYS 351 Cb 0.16 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.93 3h44 h LYS 351 CO -0.06 0.93 0.58 0.77 -2.27 0.00 0.00 179.45 179.40 3h44 h SER 352 N -0.78 0.58 -0.00 4.20 0.02 -0.59 1.30 113.55 118.27 3h44 h SER 352 Ca -0.02 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3h44 h SER 352 Cb 0.98 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.45 3h44 h SER 352 CO 0.02 0.27 0.00 0.29 -1.14 0.00 0.00 176.83 176.27 3h44 n LYS 353 N -4.56 1.01 -3.56 3.45 5.02 -0.33 -4.88 118.16 114.31 3h44 n LYS 353 Ca 0.18 -0.02 -0.22 0.00 -2.02 0.00 0.00 58.31 56.23 3h44 n LYS 353 Cb 0.55 -1.45 0.08 0.00 -0.02 0.00 0.00 35.03 34.19 3h44 n LYS 353 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h44 n GLY 354 N 0.95 -0.49 0.11 0.72 0.00 0.45 -4.92 105.19 102.01 3h44 n GLY 354 Ca 0.21 0.21 -0.15 0.00 0.00 0.00 0.00 46.02 46.30 3h44 n GLY 354 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3h44 n TRP 355 N -4.74 0.00 -4.33 1.61 8.01 -0.34 -4.20 117.44 113.45 3h44 n TRP 355 Ca -0.08 0.00 -0.17 0.00 -1.31 0.00 0.00 57.50 55.93 3h44 n TRP 355 Cb 0.59 -0.82 -0.10 0.00 -2.01 0.00 0.00 31.31 28.97 3h44 n TRP 355 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.69 176.82 3h44 s VAL 356 N -2.43 1.23 -0.05 -0.99 -7.23 -0.97 -1.82 120.40 108.14 3h44 s VAL 356 Ca -0.29 -2.07 0.06 0.00 -1.81 0.00 0.00 61.98 57.87 3h44 s VAL 356 Cb 0.07 -2.23 -0.08 0.00 0.56 0.00 0.00 36.38 34.70 3h44 s VAL 356 CO 0.49 -0.43 0.04 0.59 -0.31 0.00 0.00 175.10 175.48 3h44 n ASN 357 N -0.40 3.45 -3.69 4.85 3.02 -1.26 -4.01 115.26 117.21 3h44 n ASN 357 Ca -0.06 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.38 3h44 n ASN 357 Cb 0.63 0.75 -0.06 0.00 -0.61 0.00 0.00 39.78 40.50 3h44 n ASN 357 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3h44 s THR 358 N -2.20 0.08 -0.10 3.41 -4.23 -1.26 -5.04 115.64 106.31 3h44 s THR 358 Ca -0.03 -0.69 -0.04 0.00 -1.18 0.00 0.00 61.69 59.75 3h44 s THR 358 Cb 0.02 -1.14 0.05 0.00 1.34 0.00 0.00 72.50 72.77 3h44 s THR 358 CO 0.26 -0.38 0.21 -0.22 -0.54 0.00 0.00 174.62 173.95 3h44 s LEU 359 N -2.62 0.25 -0.02 4.79 0.20 -1.26 -2.81 118.68 117.21 3h44 s LEU 359 Ca 0.01 0.44 0.03 0.00 0.69 0.00 0.00 54.13 55.31 3h44 s LEU 359 Cb 0.02 0.55 -0.03 0.00 -0.43 0.00 0.00 46.19 46.29 3h44 s LEU 359 CO -0.09 -0.19 -0.11 0.54 -0.29 0.00 0.00 176.35 176.20 3h44 s VAL 360 N 1.67 3.34 -0.09 1.68 0.11 0.81 -4.97 120.40 122.94 3h44 s VAL 360 Ca -0.05 -0.76 -0.17 0.00 -2.93 0.00 0.00 61.98 58.07 3h44 s VAL 360 Cb -0.11 -2.38 0.04 0.00 -1.53 0.00 0.00 36.38 32.39 3h44 s VAL 360 CO -0.07 0.49 0.43 -0.83 -3.33 0.00 0.00 175.10 171.78 3h44 s GLY 361 N -1.08 -0.30 0.00 6.54 0.00 -1.26 -0.08 107.32 111.14 3h44 s GLY 361 Ca 0.14 0.92 0.00 0.00 0.00 0.00 0.00 44.72 45.78 3h44 s GLY 361 CO 0.04 0.71 0.00 0.61 0.00 0.00 0.00 173.10 174.46 3h44 n GLY 362 N 2.00 0.02 3.85 0.20 0.00 0.62 -4.29 105.19 107.59 3h44 n GLY 362 Ca -0.17 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 3h44 n GLY 362 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3h44 s GLN 363 N -2.00 3.95 -0.06 1.61 -2.07 -1.26 -0.05 119.66 119.79 3h44 s GLN 363 Ca 0.00 0.60 -0.04 0.00 -1.82 0.00 0.00 55.36 54.10 3h44 s GLN 363 Cb 0.00 -2.45 0.02 0.00 -1.09 0.00 0.00 33.01 29.49 3h44 s GLN 363 CO 0.00 0.15 0.15 0.21 -1.32 0.00 0.00 175.29 174.48 3h44 s LYS 364 N -3.06 0.14 0.56 9.60 2.20 -0.54 -4.90 119.74 123.73 3h44 s LYS 364 Ca 0.53 0.27 -0.18 0.00 -0.36 0.00 0.00 55.97 56.23 3h44 s LYS 364 Cb -0.10 -0.03 -0.05 0.00 -1.51 0.00 0.00 37.83 36.14 3h44 s LYS 364 CO 0.19 -0.08 1.08 -2.00 -0.36 0.00 0.00 175.35 174.18 3h44 s GLU 365 N 0.54 3.40 0.00 4.03 2.12 -1.26 -1.64 118.70 125.89 3h44 s GLU 365 Ca -0.04 1.39 0.00 0.00 0.36 0.00 0.00 54.97 56.69 3h44 s GLU 365 Cb -0.05 -2.03 0.00 0.00 0.26 0.00 0.00 34.13 32.30 3h44 s GLU 365 CO -0.02 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 174.34 3h44 n GLY 366 N -0.37 1.27 0.53 -1.50 0.00 -1.19 -4.69 105.19 99.24 3h44 n GLY 366 Ca 0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 3h44 n GLY 366 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h44 n ALA 367 N -3.00 0.02 -1.56 4.61 0.00 -0.57 -5.00 120.51 115.02 3h44 n ALA 367 Ca 0.00 -0.29 -0.45 0.00 0.00 0.00 0.00 53.44 52.70 3h44 n ALA 367 Cb 0.00 0.23 -0.04 0.00 0.00 0.00 0.00 19.45 19.64 3h44 n ALA 367 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h44 n ARG 368 N -0.10 1.76 0.00 0.00 1.74 -1.26 -2.45 116.66 116.35 3h44 n ARG 368 Ca 0.01 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 3h44 n ARG 368 Cb 0.10 -3.00 0.00 0.00 -1.02 0.00 0.00 32.46 28.53 3h44 n ARG 368 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h44 n GLY 369 N 5.89 2.73 3.03 -0.13 0.00 -1.26 -1.20 105.19 114.25 3h44 n GLY 369 Ca 0.32 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 3h44 n GLY 369 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h44 s PHE 370 N -0.13 0.58 0.30 1.61 -0.12 -1.02 -2.76 117.98 116.43 3h44 s PHE 370 Ca 0.00 -0.41 0.05 0.00 -0.05 0.00 0.00 56.93 56.52 3h44 s PHE 370 Cb 0.00 -0.36 -0.02 0.00 -0.63 0.00 0.00 43.02 42.02 3h44 s PHE 370 CO 0.00 -0.07 0.17 -1.33 -0.05 0.00 0.00 175.22 173.93 3h44 n MET 371 N 1.81 0.49 -4.18 1.99 2.81 -0.31 -1.51 117.12 118.22 3h44 n MET 371 Ca -0.21 -2.70 -0.13 0.00 -1.81 0.00 0.00 57.70 52.85 3h44 n MET 371 Cb 0.55 1.82 -0.10 0.00 -0.71 0.00 0.00 33.22 34.78 3h44 n MET 371 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3h44 s PHE 372 N -2.92 1.03 -0.08 2.03 0.40 -0.65 -1.64 117.98 116.15 3h44 s PHE 372 Ca 0.24 -0.73 0.03 0.00 -0.60 0.00 0.00 56.93 55.87 3h44 s PHE 372 Cb 0.01 -0.56 0.00 0.00 0.51 0.00 0.00 43.02 42.98 3h44 s PHE 372 CO 0.17 -0.03 -0.19 0.12 0.70 0.00 0.00 175.22 175.99 3h44 s PHE 373 N -2.83 2.03 0.13 0.36 2.19 0.26 -1.47 117.98 118.64 3h44 s PHE 373 Ca 0.08 -0.77 0.07 0.00 0.33 0.00 0.00 56.93 56.64 3h44 s PHE 373 Cb -0.00 -1.39 -0.04 0.00 -1.31 0.00 0.00 43.02 40.28 3h44 s PHE 373 CO -0.01 -0.33 -0.16 0.96 1.83 0.00 0.00 175.22 177.51 3h44 s ILE 374 N 0.41 1.49 -0.14 3.12 -5.25 0.93 -1.17 121.20 120.59 3h44 s ILE 374 Ca -0.15 -1.70 -0.04 0.00 -0.99 0.00 0.00 60.65 57.77 3h44 s ILE 374 Cb -0.16 -1.57 0.05 0.00 2.95 0.00 0.00 42.46 43.73 3h44 s ILE 374 CO 0.06 -0.32 0.07 -0.63 -1.79 0.00 0.00 174.94 172.33 3h44 s ILE 375 N -1.90 -0.00 -0.02 8.37 1.01 0.12 -0.28 121.20 128.50 3h44 s ILE 375 Ca 0.09 -0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.74 3h44 s ILE 375 Cb -0.06 -0.52 -0.01 0.00 0.01 0.00 0.00 42.46 41.88 3h44 s ILE 375 CO 0.04 -0.13 -0.15 0.20 0.00 0.00 0.00 174.94 174.90 3h44 s ASN 376 N 2.11 1.77 0.08 3.58 0.01 0.89 -1.09 114.94 122.28 3h44 s ASN 376 Ca 0.03 -0.28 0.01 0.00 -0.71 0.00 0.00 52.86 51.91 3h44 s ASN 376 Cb -0.15 -0.29 -0.04 0.00 0.41 0.00 0.00 41.25 41.18 3h44 s ASN 376 CO -0.07 0.16 -0.06 0.68 -1.51 0.00 0.00 177.10 176.30 3h44 s VAL 377 N -0.20 0.57 0.79 1.60 -7.23 -0.88 -0.13 120.40 114.92 3h44 s VAL 377 Ca 0.03 -1.72 -0.06 0.00 -1.81 0.00 0.00 61.98 58.41 3h44 s VAL 377 Cb -0.07 -1.41 0.17 0.00 0.56 0.00 0.00 36.38 35.62 3h44 s VAL 377 CO 0.00 -0.79 1.08 -0.90 -0.31 0.00 0.00 175.10 174.18 3h44 n ASP 378 N 0.31 0.85 -3.75 4.85 3.85 -1.12 -1.65 116.55 119.89 3h44 n ASP 378 Ca -0.15 -1.86 -0.16 0.00 -0.71 0.00 0.00 54.79 51.92 3h44 n ASP 378 Cb 0.59 -0.75 -0.16 0.00 -1.35 0.00 0.00 41.12 39.45 3h44 n ASP 378 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3h44 s LEU 379 N 0.00 0.85 0.99 -2.12 1.43 -0.54 -4.26 118.68 115.03 3h44 s LEU 379 Ca 0.67 0.06 -0.14 0.00 -1.03 0.00 0.00 54.13 53.69 3h44 s LEU 379 Cb -0.03 -0.06 0.18 0.00 0.03 0.00 0.00 46.19 46.31 3h44 s LEU 379 CO 0.45 -0.16 1.14 0.42 0.23 0.00 0.00 176.35 178.44 3h44 s THR 380 N 1.33 1.93 0.21 5.49 -4.23 -0.76 -4.64 115.64 114.96 3h44 s THR 380 Ca -0.06 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.35 3h44 s THR 380 Cb -0.13 -2.68 0.16 0.00 1.34 0.00 0.00 72.50 71.19 3h44 s THR 380 CO -0.03 0.00 1.86 -0.33 -0.54 0.00 0.00 174.62 175.58 3h44 h GLU 381 N -1.79 1.03 -0.09 3.99 5.08 -1.90 -1.15 114.58 119.75 3h44 h GLU 381 Ca -0.50 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 57.79 3h44 h GLU 381 Cb 1.32 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3h44 h GLU 381 CO 0.54 0.71 0.01 1.49 -1.00 0.00 0.00 179.01 180.76 3h44 h GLU 382 N 1.04 0.05 -0.89 2.33 4.57 -1.92 -3.03 114.58 116.73 3h44 h GLU 382 Ca 0.27 -0.00 0.17 0.00 -1.18 0.00 0.00 59.36 58.62 3h44 h GLU 382 Cb -0.06 -0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 28.42 3h44 h GLU 382 CO -0.05 0.03 0.47 0.78 -1.18 0.00 0.00 179.01 179.06 3h44 h GLY 383 N 0.05 1.49 0.95 1.92 0.00 -1.50 -0.44 103.07 105.55 3h44 h GLY 383 Ca 0.04 -0.27 0.10 0.00 0.00 0.00 0.00 47.33 47.21 3h44 h GLY 383 CO -0.05 -0.07 0.44 -2.00 0.00 0.00 0.00 176.54 174.86 3h44 h LEU 384 N 0.63 0.44 -1.93 3.11 5.85 -1.11 -0.71 115.31 121.60 3h44 h LEU 384 Ca 0.50 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.23 3h44 h LEU 384 Cb 0.76 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.71 3h44 h LEU 384 CO -0.39 0.26 0.00 0.18 -0.34 0.00 0.00 178.44 178.16 3h44 n LEU 385 N -4.48 2.85 -1.15 2.25 4.77 -0.18 -3.85 117.00 117.22 3h44 n LEU 385 Ca 0.11 -1.43 0.03 0.00 -0.03 0.00 0.00 56.01 54.68 3h44 n LEU 385 Cb 0.38 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 41.09 3h44 n LEU 385 CO 0.33 0.59 0.13 1.41 -1.33 0.00 0.00 177.39 178.52 3h44 n HIS 386 N 0.75 0.00 -0.25 -1.77 8.25 -0.29 -4.86 115.22 117.05 3h44 n HIS 386 Ca 0.16 -0.33 0.06 0.00 -0.26 0.00 0.00 57.72 57.36 3h44 n HIS 386 Cb 0.50 -0.11 0.19 0.00 1.12 0.00 0.00 29.99 31.70 3h44 n HIS 386 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3h44 h VAL 387 N 6.97 0.51 -0.46 1.59 2.07 -1.63 0.29 116.25 125.59 3h44 h VAL 387 Ca -0.15 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.34 3h44 h VAL 387 Cb 1.72 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 3h44 h VAL 387 CO 0.06 0.05 0.15 -0.08 0.02 0.00 0.00 177.57 177.77 3h44 h GLU 388 N 0.27 0.31 -0.19 1.57 4.81 -1.91 -1.80 114.58 117.64 3h44 h GLU 388 Ca 0.43 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.60 3h44 h GLU 388 Cb 0.73 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 3h44 h GLU 388 CO -0.52 0.20 -0.05 -0.44 -0.73 0.00 0.00 179.01 177.48 3h44 h ASP 389 N 0.32 0.37 -0.15 1.04 3.32 -1.53 -2.21 116.42 117.59 3h44 h ASP 389 Ca 0.22 -0.37 0.04 0.00 0.02 0.00 0.00 57.03 56.94 3h44 h ASP 389 Cb 0.23 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 39.61 3h44 h ASP 389 CO -0.23 0.65 -0.45 0.40 -1.72 0.00 0.00 179.24 177.88 3h44 h ILE 390 N 0.08 0.10 -0.86 0.35 2.04 -0.22 -1.11 117.51 117.89 3h44 h ILE 390 Ca 0.05 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.99 3h44 h ILE 390 Cb 0.49 0.10 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 3h44 h ILE 390 CO 0.02 0.00 0.52 0.40 0.00 0.00 0.00 178.15 179.09 3h44 h ILE 391 N -0.51 0.97 -0.28 -0.67 2.04 -1.33 -0.87 117.51 116.87 3h44 h ILE 391 Ca 0.07 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.67 3h44 h ILE 391 Cb 0.64 -0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 3h44 h ILE 391 CO -0.42 0.16 -0.04 0.25 0.00 0.00 0.00 178.15 178.11 3h44 h LEU 392 N 0.90 -0.18 -1.05 1.44 5.85 -0.67 -0.24 115.31 121.35 3h44 h LEU 392 Ca 0.40 0.07 0.11 0.00 0.84 0.00 0.00 57.88 59.30 3h44 h LEU 392 Cb 0.29 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.39 3h44 h LEU 392 CO -0.22 -0.06 0.63 0.45 -0.34 0.00 0.00 178.44 178.90 3h44 h HIS 393 N 0.04 1.12 -0.14 1.25 3.86 0.01 0.29 115.15 121.57 3h44 h HIS 393 Ca 0.13 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.42 3h44 h HIS 393 Cb 0.19 -0.36 -0.05 0.00 1.06 0.00 0.00 27.41 28.26 3h44 h HIS 393 CO -0.24 0.47 -0.13 0.52 0.86 0.00 0.00 177.93 179.41 3h44 h MET 394 N 1.00 -0.15 -0.22 2.45 2.86 -0.03 0.19 114.93 121.02 3h44 h MET 394 Ca 0.48 0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 58.03 3h44 h MET 394 Cb 0.44 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 3h44 h MET 394 CO -0.24 -0.10 -0.29 0.74 1.06 0.00 0.00 176.91 178.09 3h44 h PHE 395 N -0.16 0.49 -0.66 -0.22 -1.00 -0.22 -0.82 116.94 114.35 3h44 h PHE 395 Ca 0.10 -0.11 0.10 0.00 2.81 0.00 0.00 57.97 60.87 3h44 h PHE 395 Cb 0.30 -0.12 -0.07 0.00 3.61 0.00 0.00 35.95 39.66 3h44 h PHE 395 CO -0.26 0.68 0.28 1.96 -1.61 0.00 0.00 178.31 179.37 3h44 h GLN 396 N 0.38 0.47 -0.05 1.51 4.20 0.13 0.42 115.11 122.16 3h44 h GLN 396 Ca 0.05 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 3h44 h GLN 396 Cb 0.70 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 3h44 h GLN 396 CO 0.05 0.31 -0.03 -0.92 -0.67 0.00 0.00 178.83 177.57 3h44 h TYR 397 N 0.48 0.12 -0.76 2.96 3.20 0.10 -2.30 116.97 120.78 3h44 h TYR 397 Ca 0.34 -0.03 0.16 0.00 3.14 0.00 0.00 58.73 62.33 3h44 h TYR 397 Cb 0.41 -0.03 -0.10 0.00 1.54 0.00 0.00 36.73 38.54 3h44 h TYR 397 CO -0.14 0.52 0.26 0.82 -1.64 0.00 0.00 178.16 177.97 3h44 h ILE 398 N -0.31 0.57 -0.27 1.81 2.04 -0.90 -0.64 117.51 119.82 3h44 h ILE 398 Ca 0.01 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 65.81 3h44 h ILE 398 Cb 0.49 0.18 -0.08 0.00 -0.74 0.00 0.00 36.82 36.68 3h44 h ILE 398 CO 0.01 0.07 -0.28 1.56 0.00 0.00 0.00 178.15 179.51 3h44 h GLN 399 N 0.36 -0.27 -0.98 2.37 1.08 -0.02 -0.41 115.11 117.24 3h44 h GLN 399 Ca 0.43 0.02 0.20 0.00 -1.45 0.00 0.00 58.65 57.85 3h44 h GLN 399 Cb 0.71 0.06 -0.09 0.00 -0.05 0.00 0.00 27.48 28.11 3h44 h GLN 399 CO -0.46 -0.18 0.61 -0.22 -0.95 0.00 0.00 178.83 177.63 3h44 h LYS 400 N -0.28 0.63 -0.13 1.46 1.63 -0.56 0.22 116.57 119.54 3h44 h LYS 400 Ca 0.14 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 3h44 h LYS 400 Cb 0.50 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.98 3h44 h LYS 400 CO -0.42 0.42 -0.00 -0.07 -3.45 0.00 0.00 179.45 175.92 3h44 h LEU 401 N 0.65 0.23 -0.24 5.20 3.38 -0.37 0.48 115.31 124.64 3h44 h LEU 401 Ca 0.55 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 58.25 3h44 h LEU 401 Cb 1.00 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 3h44 h LEU 401 CO -0.31 0.48 -0.03 0.03 0.09 0.00 0.00 178.44 178.71 3h44 h ARG 402 N -0.03 0.04 -0.90 1.13 3.08 0.28 0.16 114.38 118.15 3h44 h ARG 402 Ca 0.04 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3h44 h ARG 402 Cb 0.37 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 3h44 h ARG 402 CO 0.01 0.03 0.58 0.00 -1.07 0.00 0.00 179.97 179.51 3h44 h ALA 403 N 1.22 1.33 0.00 0.04 0.00 -0.39 -2.21 119.26 119.25 3h44 h ALA 403 Ca 0.11 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 3h44 h ALA 403 Cb 0.16 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3h44 h ALA 403 CO -0.22 0.61 -0.83 0.93 0.00 0.00 0.00 179.25 179.74 3h44 h GLU 404 N 1.22 0.00 -2.52 0.00 4.39 -0.62 -3.51 114.58 113.54 3h44 h GLU 404 Ca 0.33 0.00 0.27 0.00 0.34 0.00 0.00 59.36 60.29 3h44 h GLU 404 Cb -0.11 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.41 3h44 h GLU 404 CO -0.07 0.83 -0.79 0.41 -1.16 0.00 0.00 179.01 178.23 3h44 n GLY 405 N 0.91 -2.80 2.99 -3.84 0.00 0.54 -4.87 105.19 98.12 3h44 n GLY 405 Ca -0.00 -1.18 -0.51 0.00 0.00 0.00 0.00 46.02 44.33 3h44 n GLY 405 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h44 n PRO 406 N -3.78 0.00 -3.96 1.61 -0.02 -1.26 -4.98 135.00 122.61 3h44 n PRO 406 Ca -0.05 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.10 3h44 n PRO 406 Cb 0.50 -1.27 -0.14 0.00 -0.02 0.00 0.00 33.50 32.56 3h44 n PRO 406 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3h44 s GLN 407 N 0.17 2.17 0.35 -0.52 -1.52 -1.26 -5.00 119.66 114.05 3h44 s GLN 407 Ca 0.78 -1.45 0.02 0.00 -1.95 0.00 0.00 55.36 52.76 3h44 s GLN 407 Cb -1.09 -3.14 0.62 0.00 -0.22 0.00 0.00 33.01 29.18 3h44 s GLN 407 CO 0.50 -0.71 2.01 1.49 -0.25 0.00 0.00 175.29 178.33 3h44 h GLU 408 N 7.87 0.85 -0.06 2.91 4.81 -2.00 -1.38 114.58 127.59 3h44 h GLU 408 Ca -0.17 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 3h44 h GLU 408 Cb 1.05 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 3h44 h GLU 408 CO 0.53 0.56 -0.13 0.11 -0.73 0.00 0.00 179.01 179.35 3h44 h TRP 409 N 0.88 0.09 -0.47 0.92 5.08 -1.99 0.29 115.95 120.75 3h44 h TRP 409 Ca 0.24 -0.01 -0.11 0.00 1.08 0.00 0.00 58.89 60.09 3h44 h TRP 409 Cb -0.10 -0.03 -0.02 0.00 -3.00 0.00 0.00 29.16 26.02 3h44 h TRP 409 CO -0.00 0.22 -0.14 0.28 -1.28 0.00 0.00 178.44 177.52 3h44 h VAL 410 N 0.09 1.27 -0.14 0.12 2.07 -1.69 -0.13 116.25 117.84 3h44 h VAL 410 Ca 0.02 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 3h44 h VAL 410 Cb 0.29 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3h44 h VAL 410 CO 0.02 0.44 0.07 0.15 0.02 0.00 0.00 177.57 178.27 3h44 h PHE 411 N 0.79 0.20 -0.48 1.57 3.57 -0.92 -1.84 116.94 119.83 3h44 h PHE 411 Ca 0.12 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.71 3h44 h PHE 411 Cb 0.67 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 39.27 3h44 h PHE 411 CO 0.04 0.23 -0.02 0.37 -2.23 0.00 0.00 178.31 176.70 3h44 h GLN 412 N 0.11 0.09 0.32 1.11 5.75 -0.14 0.18 115.11 122.52 3h44 h GLN 412 Ca 0.05 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3h44 h GLN 412 Cb 0.10 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 3h44 h GLN 412 CO -0.01 0.06 -0.37 1.49 -2.65 0.00 0.00 178.83 177.36 3h44 h GLU 413 N 0.09 -0.70 -0.43 1.69 4.81 -0.90 -0.24 114.58 118.92 3h44 h GLU 413 Ca 0.24 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.60 3h44 h GLU 413 Cb 0.37 0.16 -0.08 0.00 0.63 0.00 0.00 28.75 29.83 3h44 h GLU 413 CO -0.42 -0.47 -0.06 -0.07 -0.73 0.00 0.00 179.01 177.26 3h44 h LEU 414 N -0.72 -0.30 -0.95 1.64 4.07 -0.76 -1.26 115.31 117.02 3h44 h LEU 414 Ca -0.02 0.12 0.07 0.00 0.08 0.00 0.00 57.88 58.13 3h44 h LEU 414 Cb 0.67 0.23 -0.07 0.00 1.08 0.00 0.00 40.66 42.57 3h44 h LEU 414 CO -0.09 -0.11 0.60 0.50 -1.08 0.00 0.00 178.44 178.26 3h44 h LYS 415 N 0.04 1.05 -0.03 1.13 3.64 -0.38 -1.21 116.57 120.81 3h44 h LYS 415 Ca 0.21 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 3h44 h LYS 415 Cb 0.31 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3h44 h LYS 415 CO -0.40 0.69 -0.17 -0.44 -2.27 0.00 0.00 179.45 176.86 3h44 h ASP 416 N 1.08 0.20 -0.47 4.20 3.32 -0.60 -1.59 116.42 122.56 3h44 h ASP 416 Ca 0.42 -0.67 0.09 0.00 0.02 0.00 0.00 57.03 56.89 3h44 h ASP 416 Cb 0.21 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.62 3h44 h ASP 416 CO -0.19 0.84 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.09 3h44 h LEU 417 N -0.42 -0.23 -1.30 1.55 4.07 -1.17 -0.51 115.31 117.30 3h44 h LEU 417 Ca -0.01 0.12 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 3h44 h LEU 417 Cb 0.84 0.21 -0.03 0.00 1.08 0.00 0.00 40.66 42.76 3h44 h LEU 417 CO 0.03 -0.08 0.31 0.78 -1.08 0.00 0.00 178.44 178.40 3h44 h ASN 418 N 0.10 0.70 -0.36 -0.43 2.35 -1.22 0.23 115.58 116.95 3h44 h ASN 418 Ca 0.23 -0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 55.82 3h44 h ASN 418 Cb 0.35 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3h44 h ASN 418 CO -0.40 0.57 -0.19 0.00 -1.65 0.00 0.00 177.43 175.76 3h44 h ALA 419 N 1.54 0.85 0.22 -0.83 0.00 -0.47 -0.71 119.26 119.86 3h44 h ALA 419 Ca 0.20 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3h44 h ALA 419 Cb 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3h44 h ALA 419 CO -0.03 0.64 -0.10 0.28 0.00 0.00 0.00 179.25 180.03 3h44 h VAL 420 N 0.74 0.86 -0.98 0.00 2.07 -0.51 -0.40 116.25 118.03 3h44 h VAL 420 Ca 0.11 -0.71 0.23 0.00 0.82 0.00 0.00 66.70 67.14 3h44 h VAL 420 Cb 0.71 1.26 -0.18 0.00 -1.52 0.00 0.00 31.29 31.56 3h44 h VAL 420 CO 0.05 0.15 -0.13 0.00 0.02 0.00 0.00 177.57 177.67 3h44 h ALA 421 N -0.01 0.87 0.01 1.67 0.00 -0.53 -2.27 119.26 119.01 3h44 h ALA 421 Ca -0.03 0.36 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3h44 h ALA 421 Cb 0.47 0.68 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3h44 h ALA 421 CO 0.05 -0.46 -0.00 0.35 0.00 0.00 0.00 179.25 179.18 3h44 h PHE 422 N 0.00 -0.01 -0.71 0.00 3.57 -0.94 -1.81 116.94 117.05 3h44 h PHE 422 Ca 0.53 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 62.18 3h44 h PHE 422 Cb 0.94 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.58 3h44 h PHE 422 CO -0.64 0.68 0.17 -0.09 -2.23 0.00 0.00 178.31 176.20 3h44 h ARG 423 N -0.70 0.27 -0.35 1.11 2.43 -0.62 -2.61 114.38 113.91 3h44 h ARG 423 Ca -0.00 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 58.98 3h44 h ARG 423 Cb 0.69 -0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 30.07 3h44 h ARG 423 CO 0.00 0.18 -0.08 1.19 -1.51 0.00 0.00 179.97 179.75 3h44 n PHE 424 N -5.14 1.08 -2.00 2.20 3.01 -0.89 -4.46 117.46 111.25 3h44 n PHE 424 Ca 0.13 -1.59 -0.42 0.00 1.01 0.00 0.00 57.45 56.58 3h44 n PHE 424 Cb 0.43 -0.49 -0.03 0.00 -0.01 0.00 0.00 39.48 39.38 3h44 n PHE 424 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 3h44 s LYS 425 N -3.24 4.25 0.49 -1.08 2.20 -0.68 -4.97 119.74 116.71 3h44 s LYS 425 Ca 0.45 2.29 -0.21 0.00 -0.36 0.00 0.00 55.97 58.13 3h44 s LYS 425 Cb 0.41 -3.17 -0.09 0.00 -1.51 0.00 0.00 37.83 33.47 3h44 s LYS 425 CO -0.00 -0.54 0.85 -0.25 -0.36 0.00 0.00 175.35 175.05 3h44 n ASP 426 N 3.70 0.44 -4.72 1.43 8.00 -1.26 -4.93 116.55 119.21 3h44 n ASP 426 Ca 0.12 0.91 -0.42 0.00 0.71 0.00 0.00 54.79 56.11 3h44 n ASP 426 Cb 0.40 -1.30 -0.03 0.00 -0.02 0.00 0.00 41.12 40.17 3h44 n ASP 426 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3h44 s LYS 427 N -2.15 4.32 0.36 -1.24 2.20 -1.26 -5.00 119.74 116.96 3h44 s LYS 427 Ca 0.67 2.12 -0.22 0.00 -0.36 0.00 0.00 55.97 58.18 3h44 s LYS 427 Cb -0.51 -3.22 -0.10 0.00 -1.51 0.00 0.00 37.83 32.49 3h44 s LYS 427 CO 0.54 -0.42 0.90 -1.21 -0.36 0.00 0.00 175.35 174.80 3h44 s GLU 428 N 0.78 4.31 0.28 4.03 8.01 -1.26 -4.36 118.70 130.49 3h44 s GLU 428 Ca 0.63 1.10 -0.30 0.00 0.01 0.00 0.00 54.97 56.41 3h44 s GLU 428 Cb -0.38 -2.48 -0.12 0.00 -4.31 0.00 0.00 34.13 26.84 3h44 s GLU 428 CO 0.33 0.14 1.62 0.54 0.01 0.00 0.00 175.26 177.90 3h44 n ARG 429 N -0.09 2.73 -0.28 1.61 1.74 -1.26 -4.89 116.66 116.22 3h44 n ARG 429 Ca 0.04 0.97 -0.05 0.00 -0.77 0.00 0.00 57.85 58.05 3h44 n ARG 429 Cb 0.52 -2.77 0.07 0.00 -1.02 0.00 0.00 32.46 29.26 3h44 n ARG 429 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3h44 h PRO 430 N 5.12 1.02 -0.33 5.56 0.11 -1.96 -2.52 132.00 138.99 3h44 h PRO 430 Ca -0.46 -0.07 0.07 0.00 0.11 0.00 0.00 66.00 65.65 3h44 h PRO 430 Cb 1.22 -0.23 -0.08 0.00 0.11 0.00 0.00 31.00 32.03 3h44 h PRO 430 CO 0.82 0.68 -0.17 -0.09 -0.21 0.00 0.00 178.00 179.03 3h44 h ARG 431 N 1.04 -0.12 -0.65 1.05 2.43 -1.90 -1.12 114.38 115.12 3h44 h ARG 431 Ca 0.28 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.39 3h44 h ARG 431 Cb -0.10 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 3h44 h ARG 431 CO -0.06 -0.08 0.12 0.78 -1.51 0.00 0.00 179.97 179.23 3h44 h GLY 432 N -0.12 1.13 0.80 2.80 0.00 -1.92 -2.60 103.07 103.16 3h44 h GLY 432 Ca 0.17 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 3h44 h GLY 432 CO -0.41 0.67 -0.15 -1.82 0.00 0.00 0.00 176.54 174.83 3h44 h TYR 433 N 0.99 -0.38 -0.39 5.60 3.20 -0.97 -1.08 116.97 123.95 3h44 h TYR 433 Ca 0.20 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.10 3h44 h TYR 433 Cb 0.40 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 3h44 h TYR 433 CO 0.03 -0.11 0.15 1.79 -1.64 0.00 0.00 178.16 178.38 3h44 h THR 434 N -0.61 0.91 -0.17 1.81 1.35 -1.21 -0.41 112.91 114.58 3h44 h THR 434 Ca -0.04 -0.11 0.05 0.00 -0.55 0.00 0.00 66.41 65.76 3h44 h THR 434 Cb 0.44 0.56 -0.05 0.00 -1.73 0.00 0.00 68.15 67.37 3h44 h THR 434 CO 0.07 0.06 -0.17 -1.28 -0.25 0.00 0.00 175.52 173.95 3h44 h SER 435 N 0.32 -0.52 -0.50 5.36 0.87 -1.40 -0.65 113.55 117.03 3h44 h SER 435 Ca 0.17 0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.86 3h44 h SER 435 Cb 0.13 0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.31 3h44 h SER 435 CO -0.16 -0.21 0.29 0.50 -0.53 0.00 0.00 176.83 176.72 3h44 h LYS 436 N -0.19 0.57 -0.04 2.24 1.63 -0.69 -2.66 116.57 117.43 3h44 h LYS 436 Ca 0.11 -0.03 -0.20 0.00 -0.85 0.00 0.00 60.65 59.67 3h44 h LYS 436 Cb 0.35 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.85 3h44 h LYS 436 CO -0.28 0.37 -0.82 0.82 -3.45 0.00 0.00 179.45 176.09 3h44 h ILE 437 N 0.58 1.39 -0.94 2.00 2.04 -0.71 -2.45 117.51 119.42 3h44 h ILE 437 Ca 0.20 -2.29 0.06 0.00 1.00 0.00 0.00 64.86 63.84 3h44 h ILE 437 Cb 0.04 2.25 -0.06 0.00 -0.74 0.00 0.00 36.82 38.30 3h44 h ILE 437 CO -0.10 0.68 0.61 0.00 0.00 0.00 0.00 178.15 179.35 3h44 h ALA 438 N 0.86 1.46 -0.23 1.87 0.00 -1.05 0.32 119.26 122.49 3h44 h ALA 438 Ca -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3h44 h ALA 438 Cb 1.42 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3h44 h ALA 438 CO 0.14 0.42 0.08 0.78 0.00 0.00 0.00 179.25 180.67 3h44 h GLY 439 N 1.11 0.38 1.93 0.00 0.00 -1.23 -3.26 103.07 102.00 3h44 h GLY 439 Ca 0.40 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3h44 h GLY 439 CO -0.15 0.20 -0.05 0.16 0.00 0.00 0.00 176.54 176.71 3h44 h ILE 440 N 0.21 0.00 0.00 2.60 3.07 -0.78 -3.07 117.51 119.54 3h44 h ILE 440 Ca 0.08 -0.50 0.00 0.00 1.55 0.00 0.00 64.86 65.98 3h44 h ILE 440 Cb 0.21 1.47 0.00 0.00 -0.27 0.00 0.00 36.82 38.23 3h44 h ILE 440 CO -0.00 0.00 0.25 -0.07 -1.05 0.00 0.00 178.15 177.28 3h44 h LEU 441 N 0.00 0.00 -0.62 0.16 3.38 -0.45 -1.42 115.31 116.36 3h44 h LEU 441 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h44 h LEU 441 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3h44 h LEU 441 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.94 3h44 n HIS 442 N -2.81 0.21 -0.08 1.13 8.25 -1.16 -4.26 115.22 116.50 3h44 n HIS 442 Ca -0.02 -0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 3h44 n HIS 442 Cb 0.30 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.41 3h44 n HIS 442 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3h44 n TYR 443 N -0.04 0.00 -4.24 4.41 4.02 -0.54 -5.10 117.16 115.67 3h44 n TYR 443 Ca 0.07 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.79 3h44 n TYR 443 Cb 0.15 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.34 3h44 n TYR 443 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3h44 s TYR 444 N 0.00 0.91 0.73 -0.72 2.02 -1.17 -5.09 117.35 114.03 3h44 s TYR 444 Ca 0.00 -0.33 -0.16 0.00 -0.37 0.00 0.00 57.07 56.21 3h44 s TYR 444 Cb 0.00 -0.55 -0.04 0.00 -0.40 0.00 0.00 41.96 40.97 3h44 s TYR 444 CO 0.00 -0.01 0.50 -2.30 -1.57 0.00 0.00 175.55 172.17 3h44 n PRO 445 N 2.03 0.27 -0.22 -1.71 -0.02 -1.26 -4.78 135.00 129.31 3h44 n PRO 445 Ca -0.18 0.13 -0.01 0.00 -2.02 0.00 0.00 63.50 61.42 3h44 n PRO 445 Cb 0.55 -1.81 0.06 0.00 -0.02 0.00 0.00 33.50 32.29 3h44 n PRO 445 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3h44 h LEU 446 N -0.42 -0.61 -1.88 2.45 4.07 -1.98 -1.78 115.31 115.16 3h44 h LEU 446 Ca -0.45 0.19 -0.02 0.00 0.08 0.00 0.00 57.88 57.68 3h44 h LEU 446 Cb 1.35 0.40 -0.00 0.00 1.08 0.00 0.00 40.66 43.49 3h44 h LEU 446 CO 0.42 -0.21 -0.11 -0.33 -1.08 0.00 0.00 178.44 177.12 3h44 h GLU 447 N -0.00 0.00 -0.00 1.13 3.07 -1.88 -2.34 114.58 114.55 3h44 h GLU 447 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 3h44 h GLU 447 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 3h44 h GLU 447 CO -0.66 0.11 -0.39 0.39 -1.40 0.00 0.00 179.01 177.06 3h44 n GLU 448 N -4.17 0.30 -0.28 2.33 1.02 -0.68 -2.50 120.64 116.65 3h44 n GLU 448 Ca -0.03 -0.17 0.05 0.00 -0.02 0.00 0.00 57.16 56.99 3h44 n GLU 448 Cb 0.19 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 30.30 3h44 n GLU 448 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 3h44 h VAL 449 N 0.41 0.81 -0.37 2.62 -1.51 -1.25 0.61 116.25 117.57 3h44 h VAL 449 Ca 0.00 -0.23 -0.10 0.00 -1.23 0.00 0.00 66.70 65.14 3h44 h VAL 449 Cb 0.50 0.08 -0.01 0.00 -2.13 0.00 0.00 31.29 29.72 3h44 h VAL 449 CO 0.00 0.12 -0.17 -0.07 -1.23 0.00 0.00 177.57 176.22 3h44 h LEU 450 N 0.67 0.79 0.00 4.19 4.07 -1.80 -3.26 115.31 119.98 3h44 h LEU 450 Ca 0.42 -0.40 -0.04 0.00 0.08 0.00 0.00 57.88 57.93 3h44 h LEU 450 Cb 0.50 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.01 3h44 h LEU 450 CO -0.31 1.02 -1.03 0.71 -1.08 0.00 0.00 178.44 177.75 3h44 h THR 451 N 0.57 0.15 -0.79 0.22 1.35 -1.44 -3.41 112.91 109.56 3h44 h THR 451 Ca 0.08 -1.28 0.08 0.00 -0.55 0.00 0.00 66.41 64.74 3h44 h THR 451 Cb 0.72 1.68 -0.05 0.00 -1.73 0.00 0.00 68.15 68.77 3h44 h THR 451 CO 0.05 0.08 0.52 0.00 -0.25 0.00 0.00 175.52 175.92 3h44 h ALA 452 N 1.84 1.68 -0.35 6.62 0.00 0.13 0.19 119.26 129.37 3h44 h ALA 452 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3h44 h ALA 452 Cb 1.16 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3h44 h ALA 452 CO 0.01 0.19 0.00 0.39 0.00 0.00 0.00 179.25 179.84 3h44 n GLU 453 N -4.49 2.34 0.05 0.00 1.02 -1.26 -4.35 120.64 113.95 3h44 n GLU 453 Ca 0.12 -1.47 0.00 0.00 -0.02 0.00 0.00 57.16 55.79 3h44 n GLU 453 Cb 0.25 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 3h44 n GLU 453 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3h44 n TYR 454 N 0.50 -0.48 -2.61 -0.32 4.01 0.57 -5.10 117.16 113.73 3h44 n TYR 454 Ca 0.13 0.09 -0.34 0.00 -0.16 0.00 0.00 57.90 57.62 3h44 n TYR 454 Cb 0.49 0.15 -0.04 0.00 -0.31 0.00 0.00 39.34 39.63 3h44 n TYR 454 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3h44 s LEU 455 N -6.59 3.87 0.01 7.72 1.43 -0.54 -4.73 118.68 119.85 3h44 s LEU 455 Ca 0.00 1.88 0.03 0.00 -1.03 0.00 0.00 54.13 55.01 3h44 s LEU 455 Cb 0.00 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.65 3h44 s LEU 455 CO 0.00 -0.69 -0.11 -0.76 0.23 0.00 0.00 176.35 175.03 3h44 s LEU 456 N -3.42 2.09 0.00 1.79 1.43 -1.26 -4.86 118.68 114.46 3h44 s LEU 456 Ca 0.66 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 3h44 s LEU 456 Cb -0.15 -0.48 0.00 0.00 0.03 0.00 0.00 46.19 45.59 3h44 s LEU 456 CO 0.18 0.05 0.00 -0.62 0.23 0.00 0.00 176.35 176.19 3h44 n GLU 457 N 2.39 0.16 -5.11 1.70 1.02 0.54 -4.97 120.64 116.37 3h44 n GLU 457 Ca -0.16 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.66 3h44 n GLU 457 Cb 0.56 -0.54 -0.16 0.00 -0.02 0.00 0.00 31.44 31.28 3h44 n GLU 457 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3h44 s GLU 458 N -1.08 3.02 -0.16 3.49 2.02 -0.98 -5.02 118.70 119.98 3h44 s GLU 458 Ca 0.00 -0.83 -0.17 0.00 0.02 0.00 0.00 54.97 53.99 3h44 s GLU 458 Cb 0.00 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 31.83 3h44 s GLU 458 CO 0.00 0.24 0.42 0.12 0.02 0.00 0.00 175.26 176.06 3h44 s PHE 459 N 0.21 3.45 -0.47 1.61 5.36 -1.26 -4.12 117.98 122.75 3h44 s PHE 459 Ca -0.13 0.74 0.03 0.00 -0.96 0.00 0.00 56.93 56.61 3h44 s PHE 459 Cb -0.16 -2.51 0.16 0.00 -0.34 0.00 0.00 43.02 40.16 3h44 s PHE 459 CO 0.07 0.10 0.34 1.03 -1.46 0.00 0.00 175.22 175.30 3h44 s ARG 460 N 0.90 1.24 0.38 10.12 1.81 -1.26 -4.94 118.95 127.20 3h44 s ARG 460 Ca 0.22 -2.24 0.06 0.00 -1.72 0.00 0.00 55.73 52.05 3h44 s ARG 460 Cb -0.15 -1.97 0.78 0.00 -0.45 0.00 0.00 34.95 33.16 3h44 s ARG 460 CO 0.08 -1.30 2.01 -1.35 -0.68 0.00 0.00 175.30 174.05 3h44 h PRO 461 N 5.96 0.67 -0.69 3.54 0.11 -1.98 -1.49 132.00 138.12 3h44 h PRO 461 Ca 0.17 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.25 3h44 h PRO 461 Cb 0.89 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.81 3h44 h PRO 461 CO 0.45 0.44 0.45 0.38 -0.21 0.00 0.00 178.00 179.51 3h44 h ASP 462 N 0.69 0.77 -0.01 -2.05 -0.00 -1.98 0.56 116.42 114.39 3h44 h ASP 462 Ca 0.24 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.03 57.18 3h44 h ASP 462 Cb 0.09 -0.18 0.00 0.00 -0.00 0.00 0.00 39.33 39.24 3h44 h ASP 462 CO -0.06 0.55 -0.27 -0.07 -0.00 0.00 0.00 179.24 179.39 3h44 h LEU 463 N 0.91 0.26 -0.49 0.15 3.38 -1.82 0.24 115.31 117.94 3h44 h LEU 463 Ca 0.26 -0.74 0.10 0.00 0.09 0.00 0.00 57.88 57.59 3h44 h LEU 463 Cb -0.07 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 40.50 3h44 h LEU 463 CO -0.07 0.96 -0.28 0.40 0.09 0.00 0.00 178.44 179.54 3h44 h ILE 464 N -0.42 0.27 -0.26 1.22 2.04 -1.27 0.29 117.51 119.38 3h44 h ILE 464 Ca -0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.85 3h44 h ILE 464 Cb 0.99 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3h44 h ILE 464 CO 0.05 0.00 0.12 -0.08 0.00 0.00 0.00 178.15 178.25 3h44 h GLU 465 N -0.17 0.25 -0.43 2.37 4.81 -0.87 -1.25 114.58 119.29 3h44 h GLU 465 Ca 0.22 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.47 3h44 h GLU 465 Cb 0.51 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 3h44 h GLU 465 CO -0.58 0.17 0.21 1.98 -0.73 0.00 0.00 179.01 180.06 3h44 h MET 466 N 0.26 0.41 0.50 1.92 4.05 0.77 -1.27 114.93 121.57 3h44 h MET 466 Ca 0.11 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 3h44 h MET 466 Cb 0.04 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.75 3h44 h MET 466 CO -0.08 0.27 -0.24 0.28 0.23 0.00 0.00 176.91 177.38 3h44 h VAL 467 N 0.43 0.47 -1.19 -5.77 2.07 -0.41 -2.84 116.25 109.00 3h44 h VAL 467 Ca 0.19 -0.25 0.42 0.00 0.82 0.00 0.00 66.70 67.88 3h44 h VAL 467 Cb 0.10 0.57 -0.15 0.00 -1.52 0.00 0.00 31.29 30.30 3h44 h VAL 467 CO -0.14 0.04 0.72 0.25 0.02 0.00 0.00 177.57 178.47 3h44 h LEU 468 N -0.83 0.30 -2.15 2.57 5.85 -1.05 0.84 115.31 120.83 3h44 h LEU 468 Ca -0.07 0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3h44 h LEU 468 Cb 0.58 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 3h44 h LEU 468 CO 0.11 -0.27 -0.07 -0.78 -0.34 0.00 0.00 178.44 177.10 3h44 h ASP 469 N 0.08 0.00 1.38 1.25 3.58 -0.98 -1.77 116.42 119.96 3h44 h ASP 469 Ca 0.83 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.28 3h44 h ASP 469 Cb 2.40 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.45 3h44 h ASP 469 CO -0.56 0.07 -0.34 0.11 -2.88 0.00 0.00 179.24 175.64 3h44 h LYS 470 N 0.00 0.00 -3.48 0.28 1.79 0.66 -3.39 116.57 112.43 3h44 h LYS 470 Ca -0.00 0.00 -0.74 0.00 -2.18 0.00 0.00 60.65 57.73 3h44 h LYS 470 Cb 0.20 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.75 3h44 h LYS 470 CO 0.01 0.00 2.54 1.28 -1.08 0.00 0.00 179.45 182.20 3h44 n LEU 471 N -2.53 7.07 -4.26 2.94 4.77 -0.67 -4.76 117.00 119.56 3h44 n LEU 471 Ca 0.04 -4.52 -0.21 0.00 -0.03 0.00 0.00 56.01 51.29 3h44 n LEU 471 Cb 0.48 -1.52 -0.12 0.00 -2.33 0.00 0.00 43.42 39.93 3h44 n LEU 471 CO 0.35 1.45 -0.49 -0.13 -1.33 0.00 0.00 177.39 177.24 3h44 s ARG 472 N 1.11 1.08 0.46 3.23 0.52 -1.26 -5.02 118.95 119.06 3h44 s ARG 472 Ca 0.46 -1.19 0.19 0.00 -0.52 0.00 0.00 55.73 54.67 3h44 s ARG 472 Cb 0.13 -1.17 1.17 0.00 0.52 0.00 0.00 34.95 35.59 3h44 s ARG 472 CO -0.04 0.26 1.94 -1.35 0.02 0.00 0.00 175.30 176.13 3h44 h PRO 473 N 3.84 0.27 0.00 3.54 0.11 -1.90 -0.78 132.00 137.08 3h44 h PRO 473 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3h44 h PRO 473 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3h44 h PRO 473 CO 0.44 0.18 0.00 -0.85 -0.21 0.00 0.00 178.00 177.56 3h44 n GLU 474 N -4.44 0.20 -0.19 1.05 0.00 -1.26 -2.31 120.64 113.69 3h44 n GLU 474 Ca 0.13 0.30 0.08 0.00 0.00 0.00 0.00 57.16 57.67 3h44 n GLU 474 Cb 0.56 -1.81 0.19 0.00 0.00 0.00 0.00 31.44 30.38 3h44 n GLU 474 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 3h44 n ASN 475 N -2.17 3.13 -4.82 -1.84 4.05 -0.31 -4.47 115.26 108.82 3h44 n ASN 475 Ca 0.04 -1.92 -0.37 0.00 0.45 0.00 0.00 54.58 52.78 3h44 n ASN 475 Cb 0.32 -0.26 -0.06 0.00 1.23 0.00 0.00 39.78 41.01 3h44 n ASN 475 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3h44 s VAL 476 N -1.10 4.68 -0.04 3.44 0.11 -0.98 -4.32 120.40 122.19 3h44 s VAL 476 Ca 0.31 1.18 0.04 0.00 -2.93 0.00 0.00 61.98 60.58 3h44 s VAL 476 Cb 0.17 -3.87 -0.03 0.00 -1.53 0.00 0.00 36.38 31.13 3h44 s VAL 476 CO 0.23 0.37 -0.16 -0.13 -3.33 0.00 0.00 175.10 172.08 3h44 s ARG 477 N -1.59 2.43 -0.03 1.54 0.52 0.26 -0.97 118.95 121.11 3h44 s ARG 477 Ca 0.36 -0.74 0.04 0.00 -0.52 0.00 0.00 55.73 54.87 3h44 s ARG 477 Cb -0.18 -2.32 -0.00 0.00 0.52 0.00 0.00 34.95 32.96 3h44 s ARG 477 CO 0.20 0.61 -0.15 0.08 0.02 0.00 0.00 175.30 176.06 3h44 s VAL 478 N -0.72 1.27 -0.04 3.52 1.01 -0.61 -1.00 120.40 123.83 3h44 s VAL 478 Ca 0.11 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3h44 s VAL 478 Cb -0.11 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.20 3h44 s VAL 478 CO 0.00 0.37 -0.06 0.00 0.00 0.00 0.00 175.10 175.41 3h44 s ALA 479 N -0.03 0.76 -0.18 5.51 0.00 -0.43 -1.18 121.76 126.20 3h44 s ALA 479 Ca -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 3h44 s ALA 479 Cb -0.10 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.61 3h44 s ALA 479 CO 0.01 0.03 -0.12 0.42 0.00 0.00 0.00 175.76 176.11 3h44 s ILE 480 N 0.74 2.82 -0.34 0.00 1.01 0.11 -0.65 121.20 124.89 3h44 s ILE 480 Ca -0.11 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 59.74 3h44 s ILE 480 Cb -0.14 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.12 3h44 s ILE 480 CO 0.01 0.49 0.18 -0.69 0.00 0.00 0.00 174.94 174.92 3h44 s VAL 481 N 1.13 4.57 0.05 2.92 1.01 0.13 -0.22 120.40 129.99 3h44 s VAL 481 Ca 0.01 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 3h44 s VAL 481 Cb -0.14 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.81 3h44 s VAL 481 CO -0.04 -0.08 0.27 -0.55 0.00 0.00 0.00 175.10 174.70 3h44 s SER 482 N 1.58 -0.07 0.00 3.32 0.15 0.07 -0.91 113.70 117.85 3h44 s SER 482 Ca 0.03 -0.29 0.29 0.00 0.70 0.00 0.00 55.95 56.68 3h44 s SER 482 Cb -0.18 0.35 1.34 0.00 -1.71 0.00 0.00 66.02 65.81 3h44 s SER 482 CO 0.06 -0.63 1.97 0.29 1.20 0.00 0.00 173.24 176.13 3h44 n LYS 483 N 0.47 0.14 0.04 5.44 5.02 -1.26 -3.46 118.16 124.55 3h44 n LYS 483 Ca -0.18 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.20 3h44 n LYS 483 Cb 0.60 -1.50 0.38 0.00 -0.02 0.00 0.00 35.03 34.49 3h44 n LYS 483 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3h44 n SER 484 N -1.43 0.22 -0.90 4.39 3.41 -1.26 -2.46 113.62 115.58 3h44 n SER 484 Ca 0.09 0.55 0.08 0.00 -0.26 0.00 0.00 58.87 59.33 3h44 n SER 484 Cb 0.31 -0.60 0.22 0.00 -0.26 0.00 0.00 64.21 63.88 3h44 n SER 484 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3h44 n PHE 485 N -1.73 0.65 -1.74 7.33 0.99 -1.22 -4.83 117.46 116.89 3h44 n PHE 485 Ca 0.03 -0.32 -0.42 0.00 -0.00 0.00 0.00 57.45 56.74 3h44 n PHE 485 Cb 0.20 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.65 3h44 n PHE 485 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 3h44 s GLU 486 N -1.35 4.15 0.00 -1.08 2.56 -1.03 -2.67 118.70 119.28 3h44 s GLU 486 Ca 0.33 2.54 0.00 0.00 0.00 0.00 0.00 54.97 57.84 3h44 s GLU 486 Cb 0.17 -3.87 0.00 0.00 2.00 0.00 0.00 34.13 32.43 3h44 s GLU 486 CO 0.22 -0.88 0.00 0.41 -0.56 0.00 0.00 175.26 174.45 3h44 n GLY 487 N 4.33 2.03 0.00 -1.50 0.00 -1.26 -4.85 105.19 103.94 3h44 n GLY 487 Ca 0.18 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3h44 n GLY 487 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h44 n LYS 488 N 0.00 0.00 -4.20 1.61 4.01 -1.09 -4.80 118.16 113.69 3h44 n LYS 488 Ca 0.00 0.02 -0.29 0.00 -0.51 0.00 0.00 58.31 57.52 3h44 n LYS 488 Cb 0.00 -1.51 -0.09 0.00 -0.51 0.00 0.00 35.03 32.92 3h44 n LYS 488 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 3h44 s THR 489 N -1.75 3.59 -0.22 -0.18 -4.23 -1.24 -4.83 115.64 106.79 3h44 s THR 489 Ca 0.00 -1.26 0.02 0.00 -1.18 0.00 0.00 61.69 59.28 3h44 s THR 489 Cb 0.00 -2.72 0.05 0.00 1.34 0.00 0.00 72.50 71.17 3h44 s THR 489 CO 0.00 0.05 0.94 -0.90 -0.54 0.00 0.00 174.62 174.18 3h44 n ASP 490 N 0.46 1.96 -4.00 3.99 5.68 -1.22 -4.93 116.55 118.48 3h44 n ASP 490 Ca -0.12 -1.79 -0.09 0.00 -0.50 0.00 0.00 54.79 52.29 3h44 n ASP 490 Cb 0.53 -0.04 -0.08 0.00 -1.14 0.00 0.00 41.12 40.39 3h44 n ASP 490 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3h44 s ARG 491 N -0.81 1.01 -0.09 0.11 3.52 -0.59 -5.03 118.95 117.07 3h44 s ARG 491 Ca 0.04 -1.22 -0.04 0.00 -0.13 0.00 0.00 55.73 54.38 3h44 s ARG 491 Cb 0.02 0.33 0.04 0.00 -1.56 0.00 0.00 34.95 33.78 3h44 s ARG 491 CO 0.03 -0.34 0.22 0.99 -0.81 0.00 0.00 175.30 175.39 3h44 s THR 492 N -3.97 -0.04 0.02 4.11 2.01 -1.26 -1.32 115.64 115.19 3h44 s THR 492 Ca 0.17 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.02 3h44 s THR 492 Cb 0.05 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 3h44 s THR 492 CO -0.02 0.06 1.00 -0.70 -0.69 0.00 0.00 174.62 174.28 3h44 s GLU 493 N 1.24 4.56 0.26 4.92 -6.30 -0.09 -4.85 118.70 118.45 3h44 s GLU 493 Ca -0.09 1.46 -0.01 0.00 -2.50 0.00 0.00 54.97 53.83 3h44 s GLU 493 Cb -0.11 -3.44 0.56 0.00 0.00 0.00 0.00 34.13 31.14 3h44 s GLU 493 CO -0.08 -0.04 1.74 1.49 0.02 0.00 0.00 175.26 178.39 3h44 h GLU 494 N 6.68 0.51 0.07 4.30 4.81 -1.96 0.68 114.58 129.67 3h44 h GLU 494 Ca -0.41 -0.03 -0.35 0.00 -0.13 0.00 0.00 59.36 58.43 3h44 h GLU 494 Cb 1.22 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 3h44 h GLU 494 CO 0.75 0.34 -2.05 0.91 -0.73 0.00 0.00 179.01 178.23 3h44 n TRP 495 N -4.94 0.90 -0.02 0.92 7.02 -1.26 -4.48 117.44 115.58 3h44 n TRP 495 Ca 0.17 0.22 0.02 0.00 -1.02 0.00 0.00 57.50 56.90 3h44 n TRP 495 Cb 0.48 -1.13 -0.09 0.00 -2.42 0.00 0.00 31.31 28.15 3h44 n TRP 495 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3h44 n TYR 496 N -3.30 0.00 -1.26 -5.99 4.02 -1.24 -5.01 117.16 104.38 3h44 n TYR 496 Ca -0.31 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.58 3h44 n TYR 496 Cb 1.05 -0.37 0.00 0.00 -0.02 0.00 0.00 39.34 40.00 3h44 n TYR 496 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3h44 n GLY 497 N 2.00 1.01 3.68 2.72 0.00 0.23 -4.93 105.19 109.91 3h44 n GLY 497 Ca -0.08 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 3h44 n GLY 497 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h44 s THR 498 N -2.10 4.02 -0.24 2.61 2.01 -1.24 -4.58 115.64 116.13 3h44 s THR 498 Ca 0.00 1.34 -0.29 0.00 0.31 0.00 0.00 61.69 63.05 3h44 s THR 498 Cb 0.00 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 3h44 s THR 498 CO 0.00 -0.04 1.44 -1.10 -0.69 0.00 0.00 174.62 174.23 3h44 s GLN 499 N 2.69 3.93 0.08 4.92 -1.52 -1.26 -0.91 119.66 127.59 3h44 s GLN 499 Ca 0.60 1.52 -0.09 0.00 -1.95 0.00 0.00 55.36 55.43 3h44 s GLN 499 Cb -0.27 -3.93 -0.00 0.00 -0.22 0.00 0.00 33.01 28.59 3h44 s GLN 499 CO 0.22 -1.12 0.19 1.52 -0.25 0.00 0.00 175.29 175.86 3h44 s TYR 500 N 4.56 0.14 0.05 0.91 1.13 -0.43 -1.96 117.35 121.74 3h44 s TYR 500 Ca 0.63 -0.54 0.06 0.00 -1.41 0.00 0.00 57.07 55.80 3h44 s TYR 500 Cb -0.21 -0.05 -0.04 0.00 -1.10 0.00 0.00 41.96 40.56 3h44 s TYR 500 CO 0.25 -0.53 -0.12 0.21 -2.51 0.00 0.00 175.55 172.84 3h44 s LYS 501 N -3.73 2.23 0.22 -3.49 2.20 -0.32 -1.54 119.74 115.30 3h44 s LYS 501 Ca 0.04 -0.92 0.09 0.00 -0.36 0.00 0.00 55.97 54.81 3h44 s LYS 501 Cb 0.04 -2.32 -0.04 0.00 -1.51 0.00 0.00 37.83 34.00 3h44 s LYS 501 CO -0.10 0.55 -0.03 -1.14 -0.36 0.00 0.00 175.35 174.26 3h44 s GLN 502 N -1.72 2.23 -0.24 4.03 0.74 -1.26 -1.12 119.66 122.32 3h44 s GLN 502 Ca 0.18 -1.32 -0.26 0.00 0.05 0.00 0.00 55.36 54.00 3h44 s GLN 502 Cb -0.11 -2.19 0.10 0.00 1.10 0.00 0.00 33.01 31.91 3h44 s GLN 502 CO 0.09 0.40 0.86 -1.21 -0.55 0.00 0.00 175.29 174.89 3h44 s GLU 503 N -3.29 0.71 0.27 1.67 2.02 -0.59 -4.99 118.70 114.51 3h44 s GLU 503 Ca 0.29 0.68 -0.29 0.00 0.02 0.00 0.00 54.97 55.66 3h44 s GLU 503 Cb -0.08 0.34 -0.09 0.00 0.10 0.00 0.00 34.13 34.40 3h44 s GLU 503 CO 0.18 -0.12 1.11 0.00 0.02 0.00 0.00 175.26 176.45 3h44 s ALA 504 N -0.01 3.41 -0.10 5.21 0.00 -1.26 -0.04 121.76 128.97 3h44 s ALA 504 Ca -0.00 0.91 -0.30 0.00 0.00 0.00 0.00 51.96 52.57 3h44 s ALA 504 Cb -0.04 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 3h44 s ALA 504 CO -0.01 -0.19 1.11 0.42 0.00 0.00 0.00 175.76 177.09 3h44 s ILE 505 N -1.03 4.52 0.22 0.00 1.01 -0.23 -4.81 121.20 120.87 3h44 s ILE 505 Ca 0.45 1.82 -0.31 0.00 0.00 0.00 0.00 60.65 62.61 3h44 s ILE 505 Cb -0.32 -4.17 -0.15 0.00 0.01 0.00 0.00 42.46 37.83 3h44 s ILE 505 CO 0.41 -0.03 1.15 -2.65 0.00 0.00 0.00 174.94 173.81 3h44 n PRO 506 N 5.35 1.33 0.03 2.79 -0.01 -1.26 -4.81 135.00 138.41 3h44 n PRO 506 Ca 0.10 0.47 0.07 0.00 -0.01 0.00 0.00 63.50 64.13 3h44 n PRO 506 Cb 0.47 -1.95 0.48 0.00 -0.01 0.00 0.00 33.50 32.50 3h44 n PRO 506 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 175.50 175.05 3h44 h ASP 507 N 3.06 0.36 -0.67 2.55 3.45 -1.99 -1.53 116.42 121.65 3h44 h ASP 507 Ca -0.42 -0.01 -0.04 0.00 0.43 0.00 0.00 57.03 57.00 3h44 h ASP 507 Cb 1.33 -0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 39.99 3h44 h ASP 507 CO 0.68 0.25 0.28 1.05 -1.57 0.00 0.00 179.24 179.93 3h44 h GLU 508 N 0.42 1.01 0.59 3.56 9.09 -1.99 -1.70 114.58 125.55 3h44 h GLU 508 Ca 0.15 -0.16 -0.03 0.00 0.05 0.00 0.00 59.36 59.37 3h44 h GLU 508 Cb 0.10 -0.17 0.01 0.00 -1.65 0.00 0.00 28.75 27.03 3h44 h GLU 508 CO -0.04 0.82 -0.28 0.28 0.05 0.00 0.00 179.01 179.84 3h44 h VAL 509 N 1.00 0.36 -0.93 -1.06 2.07 -1.65 0.02 116.25 116.06 3h44 h VAL 509 Ca 0.23 -0.23 0.27 0.00 0.82 0.00 0.00 66.70 67.80 3h44 h VAL 509 Cb 0.18 0.44 -0.15 0.00 -1.52 0.00 0.00 31.29 30.24 3h44 h VAL 509 CO -0.02 0.03 0.30 0.40 0.02 0.00 0.00 177.57 178.30 3h44 h ILE 510 N -0.94 0.25 -0.38 4.57 5.03 -1.45 -1.16 117.51 123.42 3h44 h ILE 510 Ca -0.08 -0.06 -0.14 0.00 -0.12 0.00 0.00 64.86 64.46 3h44 h ILE 510 Cb 0.65 0.04 -0.01 0.00 -3.03 0.00 0.00 36.82 34.48 3h44 h ILE 510 CO 0.13 0.03 -0.30 0.11 -0.68 0.00 0.00 178.15 177.45 3h44 h LYS 511 N 0.19 0.88 -0.92 2.37 6.56 -0.98 0.10 116.57 124.77 3h44 h LYS 511 Ca 0.62 -0.43 0.08 0.00 -1.06 0.00 0.00 60.65 59.85 3h44 h LYS 511 Cb 1.32 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.92 3h44 h LYS 511 CO -0.69 1.08 0.59 0.87 -2.06 0.00 0.00 179.45 179.25 3h44 h LYS 512 N 0.69 0.95 -0.11 3.15 1.57 0.20 -1.90 116.57 121.11 3h44 h LYS 512 Ca 0.07 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.62 3h44 h LYS 512 Cb 0.88 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 3h44 h LYS 512 CO 0.08 0.63 -0.66 -1.49 -0.57 0.00 0.00 179.45 177.44 3h44 h TRP 513 N 0.98 0.59 0.00 -1.35 6.55 -0.72 -3.04 115.95 118.96 3h44 h TRP 513 Ca 0.41 -0.24 -0.03 0.00 0.95 0.00 0.00 58.89 59.98 3h44 h TRP 513 Cb 0.31 -0.10 -0.00 0.00 -0.86 0.00 0.00 29.16 28.51 3h44 h TRP 513 CO -0.00 0.98 -0.14 1.96 -1.05 0.00 0.00 178.44 180.19 3h44 h GLN 514 N 0.33 0.00 -0.90 0.49 4.20 -0.10 -3.03 115.11 116.09 3h44 h GLN 514 Ca -0.02 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.14 3h44 h GLN 514 Cb 1.22 0.00 -0.29 0.00 0.30 0.00 0.00 27.48 28.71 3h44 h GLN 514 CO 0.12 0.14 0.53 0.09 -0.67 0.00 0.00 178.83 179.03 3h44 n ASN 515 N -3.44 5.44 -4.69 1.46 4.13 -0.78 -4.98 115.26 112.39 3h44 n ASN 515 Ca -0.01 -3.73 -0.42 0.00 1.68 0.00 0.00 54.58 52.10 3h44 n ASN 515 Cb 0.31 -0.83 -0.03 0.00 -1.54 0.00 0.00 39.78 37.70 3h44 n ASN 515 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3h44 s ALA 516 N -3.56 3.57 0.86 5.41 0.00 -1.15 -5.01 121.76 121.88 3h44 s ALA 516 Ca 0.58 0.87 -0.10 0.00 0.00 0.00 0.00 51.96 53.31 3h44 s ALA 516 Cb 0.48 -3.58 0.16 0.00 0.00 0.00 0.00 23.12 20.18 3h44 s ALA 516 CO 0.04 -0.87 1.18 -0.51 0.00 0.00 0.00 175.76 175.60 3h44 s ASP 517 N 1.77 3.72 0.28 0.00 -0.00 -1.26 -4.81 116.67 116.37 3h44 s ASP 517 Ca 0.63 0.10 -0.29 0.00 -0.00 0.00 0.00 52.55 52.98 3h44 s ASP 517 Cb -0.31 -0.32 -0.10 0.00 -0.00 0.00 0.00 42.92 42.19 3h44 s ASP 517 CO 0.26 -2.32 1.12 -0.76 -0.00 0.00 0.00 175.17 173.48 3h44 s LEU 518 N -5.58 4.54 -0.18 1.23 1.43 -1.26 -4.57 118.68 114.29 3h44 s LEU 518 Ca 0.70 2.31 0.01 0.00 -1.03 0.00 0.00 54.13 56.12 3h44 s LEU 518 Cb -0.05 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.56 3h44 s LEU 518 CO 0.49 -0.19 -0.19 0.21 0.23 0.00 0.00 176.35 176.90 3h44 s ASN 519 N -0.80 3.21 0.00 2.29 3.84 -1.26 -5.03 114.94 117.19 3h44 s ASN 519 Ca 0.45 -0.62 0.10 0.00 0.21 0.00 0.00 52.86 52.99 3h44 s ASN 519 Cb -0.33 -1.49 0.47 0.00 -0.55 0.00 0.00 41.25 39.35 3h44 s ASN 519 CO 0.42 0.01 1.21 0.61 -2.79 0.00 0.00 177.10 176.57 3h44 n GLY 520 N 4.53 -0.65 0.21 1.21 0.00 -1.26 -1.82 105.19 107.41 3h44 n GLY 520 Ca -0.21 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 45.91 3h44 n GLY 520 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h44 h LYS 521 N 0.00 0.00 -5.16 1.61 1.79 -1.95 -3.45 116.57 109.41 3h44 h LYS 521 Ca 0.00 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.85 3h44 h LYS 521 Cb 0.10 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.61 3h44 h LYS 521 CO 0.00 0.00 -0.28 -0.06 -1.08 0.00 0.00 179.45 178.03 3h44 s PHE 522 N -3.34 3.27 0.03 -1.35 2.99 -0.76 -4.56 117.98 114.27 3h44 s PHE 522 Ca 0.06 0.40 0.04 0.00 0.00 0.00 0.00 56.93 57.42 3h44 s PHE 522 Cb 0.08 -2.52 -0.02 0.00 0.00 0.00 0.00 43.02 40.56 3h44 s PHE 522 CO 0.60 -0.16 -0.11 0.15 -0.00 0.00 0.00 175.22 175.69 3h44 s LYS 523 N 1.84 0.77 0.71 0.44 1.02 -0.93 -4.96 119.74 118.62 3h44 s LYS 523 Ca 0.14 -0.64 -0.16 0.00 0.02 0.00 0.00 55.97 55.33 3h44 s LYS 523 Cb -0.15 -0.72 -0.02 0.00 -0.52 0.00 0.00 37.83 36.41 3h44 s LYS 523 CO 0.09 0.18 0.72 1.28 -0.92 0.00 0.00 175.35 176.70 3h44 n LEU 524 N 2.03 1.98 -4.78 3.17 4.32 -1.26 -4.24 117.00 118.23 3h44 n LEU 524 Ca -0.18 0.64 -0.32 0.00 -0.02 0.00 0.00 56.01 56.13 3h44 n LEU 524 Cb 0.55 -1.29 0.07 0.00 -1.62 0.00 0.00 43.42 41.12 3h44 n LEU 524 CO 0.23 -2.64 0.72 -2.84 -1.22 0.00 0.00 177.39 171.63 3h44 s PRO 525 N -2.94 2.60 0.60 3.23 0.02 -1.26 -4.91 135.00 132.34 3h44 s PRO 525 Ca 0.69 1.23 0.09 0.00 0.02 0.00 0.00 61.00 63.03 3h44 s PRO 525 Cb -0.36 -1.94 0.10 0.00 0.02 0.00 0.00 34.50 32.33 3h44 s PRO 525 CO 0.54 -1.39 0.84 0.25 -0.33 0.00 0.00 177.00 176.91 3h44 n THR 526 N -2.96 0.00 -1.51 0.99 -2.24 -1.26 -5.02 114.28 102.27 3h44 n THR 526 Ca 0.09 -1.92 -0.55 0.00 -2.27 0.00 0.00 64.05 59.40 3h44 n THR 526 Cb 0.53 -0.55 -0.07 0.00 -2.10 0.00 0.00 70.33 68.14 3h44 n THR 526 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3h44 n LYS 527 N -2.35 0.32 -2.55 -0.78 5.02 -1.26 -4.86 118.16 111.71 3h44 n LYS 527 Ca 0.17 0.11 -0.41 0.00 -2.02 0.00 0.00 58.31 56.16 3h44 n LYS 527 Cb 0.61 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 34.02 3h44 n LYS 527 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3h44 s ASN 528 N -0.05 6.18 0.34 4.39 3.84 -1.26 -4.86 114.94 123.52 3h44 s ASN 528 Ca 0.84 -0.53 0.24 0.00 0.21 0.00 0.00 52.86 53.63 3h44 s ASN 528 Cb -1.13 -2.56 1.24 0.00 -0.55 0.00 0.00 41.25 38.25 3h44 s ASN 528 CO 0.55 -1.82 1.74 -0.33 -2.79 0.00 0.00 177.10 174.45 3h44 h GLU 529 N 10.06 0.00 0.00 0.43 4.39 -1.94 -2.70 114.58 124.81 3h44 h GLU 529 Ca -0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.46 3h44 h GLU 529 Cb 1.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 3h44 h GLU 529 CO 1.29 0.00 -0.26 0.74 -1.16 0.00 0.00 179.01 179.62 3h44 h PHE 530 N 0.00 0.00 -1.38 4.33 -1.00 -1.89 -3.46 116.94 113.54 3h44 h PHE 530 Ca 0.00 0.00 -0.75 0.00 2.81 0.00 0.00 57.97 60.03 3h44 h PHE 530 Cb 0.10 0.00 0.04 0.00 3.61 0.00 0.00 35.95 39.70 3h44 h PHE 530 CO 0.00 0.00 0.46 -0.89 -1.61 0.00 0.00 178.31 176.27 3h44 n ILE 531 N -2.50 0.06 -2.17 -0.55 5.41 -1.02 -4.83 119.36 113.77 3h44 n ILE 531 Ca 0.04 -0.01 -0.30 0.00 1.00 0.00 0.00 62.75 63.47 3h44 n ILE 531 Cb 0.47 -0.63 -0.00 0.00 -0.71 0.00 0.00 39.64 38.77 3h44 n ILE 531 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3h44 s PRO 532 N 1.28 3.67 0.00 0.38 0.04 -1.26 -4.97 135.00 134.14 3h44 s PRO 532 Ca 0.92 0.67 0.00 0.00 0.04 0.00 0.00 61.00 62.62 3h44 s PRO 532 Cb -1.13 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 31.24 3h44 s PRO 532 CO 0.58 -0.41 0.00 0.25 0.04 0.00 0.00 177.00 177.46 3h44 n THR 533 N -2.35 0.00 -3.53 1.26 -2.24 -1.26 -5.04 114.28 101.12 3h44 n THR 533 Ca 0.05 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.41 3h44 n THR 533 Cb 0.54 0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 69.42 3h44 n THR 533 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3h44 s ASN 534 N 0.00 5.86 -0.14 3.42 2.47 -1.26 -4.92 114.94 120.36 3h44 s ASN 534 Ca 0.00 -1.19 0.17 0.00 0.42 0.00 0.00 52.86 52.26 3h44 s ASN 534 Cb 0.00 -2.07 0.40 0.00 -1.45 0.00 0.00 41.25 38.13 3h44 s ASN 534 CO 0.00 -0.49 1.28 0.49 -3.72 0.00 0.00 177.10 174.66 3h44 n PHE 535 N 5.05 0.49 -2.57 0.43 3.01 -1.26 -4.54 117.46 118.07 3h44 n PHE 535 Ca -0.11 -0.90 -0.41 0.00 1.01 0.00 0.00 57.45 57.04 3h44 n PHE 535 Cb 0.45 -0.22 -0.04 0.00 -0.01 0.00 0.00 39.48 39.65 3h44 n PHE 535 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3h44 s GLU 536 N -2.71 4.66 -0.60 -1.08 -1.05 -1.26 -4.61 118.70 112.05 3h44 s GLU 536 Ca 0.36 1.67 -0.21 0.00 -0.15 0.00 0.00 54.97 56.63 3h44 s GLU 536 Cb 0.29 -3.27 0.07 0.00 -0.44 0.00 0.00 34.13 30.79 3h44 s GLU 536 CO 0.06 0.20 0.83 0.42 0.95 0.00 0.00 175.26 177.73 3h44 s ILE 537 N -0.61 4.57 0.33 1.83 1.09 -1.26 -4.92 121.20 122.23 3h44 s ILE 537 Ca 0.46 -0.45 -0.27 0.00 -1.10 0.00 0.00 60.65 59.30 3h44 s ILE 537 Cb -0.29 -4.54 -0.13 0.00 -1.06 0.00 0.00 42.46 36.44 3h44 s ILE 537 CO 0.35 -1.19 0.97 0.18 -0.10 0.00 0.00 174.94 175.15 3h44 n LEU 538 N 7.02 1.83 -4.64 2.97 4.32 -1.26 -4.84 117.00 122.41 3h44 n LEU 538 Ca -0.05 1.12 -0.44 0.00 -0.02 0.00 0.00 56.01 56.62 3h44 n LEU 538 Cb 0.45 -1.29 -0.01 0.00 -1.62 0.00 0.00 43.42 40.95 3h44 n LEU 538 CO 0.61 -1.55 0.72 -0.81 -1.22 0.00 0.00 177.39 175.13 3h44 n PRO 539 N 0.57 1.69 -2.08 3.23 -0.04 -1.26 -4.84 135.00 132.26 3h44 n PRO 539 Ca 0.10 0.59 -0.43 0.00 -0.04 0.00 0.00 63.50 63.72 3h44 n PRO 539 Cb 0.34 -2.06 -0.03 0.00 -0.04 0.00 0.00 33.50 31.72 3h44 n PRO 539 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3h44 s LEU 540 N -0.18 3.99 0.59 1.53 2.96 -1.26 -4.93 118.68 121.38 3h44 s LEU 540 Ca 0.58 1.77 -0.19 0.00 -0.22 0.00 0.00 54.13 56.07 3h44 s LEU 540 Cb -0.65 -3.53 -0.06 0.00 0.50 0.00 0.00 46.19 42.46 3h44 s LEU 540 CO 0.61 -1.19 0.90 -0.62 -1.32 0.00 0.00 176.35 174.73 3h44 n GLU 541 N 7.54 0.85 -0.29 1.98 1.02 -1.26 -4.92 120.64 125.56 3h44 n GLU 541 Ca 0.19 0.33 0.02 0.00 -0.02 0.00 0.00 57.16 57.68 3h44 n GLU 541 Cb 0.45 -2.09 0.22 0.00 -0.02 0.00 0.00 31.44 30.00 3h44 n GLU 541 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3h44 h LYS 542 N 0.48 1.04 -1.21 3.49 3.64 -2.05 -2.97 116.57 118.99 3h44 h LYS 542 Ca -0.48 -0.06 -0.60 0.00 -1.27 0.00 0.00 60.65 58.24 3h44 h LYS 542 Cb 1.37 -0.23 -0.39 0.00 -0.41 0.00 0.00 32.23 32.56 3h44 h LYS 542 CO 0.50 0.69 -0.41 0.39 -2.27 0.00 0.00 179.45 178.36 3h44 n GLU 543 N -4.45 3.36 -1.56 1.90 4.71 -1.26 -5.03 120.64 118.30 3h44 n GLU 543 Ca 0.12 -4.14 -0.30 0.00 -0.01 0.00 0.00 57.16 52.82 3h44 n GLU 543 Cb 0.12 -2.27 0.08 0.00 -1.01 0.00 0.00 31.44 28.36 3h44 n GLU 543 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3h44 s ALA 544 N -3.65 2.37 0.06 0.62 0.00 -1.13 -5.09 121.76 114.94 3h44 s ALA 544 Ca 0.51 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.34 3h44 s ALA 544 Cb 0.42 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 3h44 s ALA 544 CO -0.10 -1.59 -0.05 0.95 0.00 0.00 0.00 175.76 174.97 3h44 s THR 545 N -3.13 0.38 0.27 0.00 -4.23 -1.26 -5.06 115.64 102.61 3h44 s THR 545 Ca 0.60 -1.63 -0.01 0.00 -1.18 0.00 0.00 61.69 59.48 3h44 s THR 545 Cb -0.14 -1.27 0.28 0.00 1.34 0.00 0.00 72.50 72.70 3h44 s THR 545 CO 0.54 -0.82 1.86 1.55 -0.54 0.00 0.00 174.62 177.22 3h44 h PRO 546 N 3.48 1.06 -6.13 3.99 0.13 -1.98 -3.44 132.00 129.11 3h44 h PRO 546 Ca -0.34 -0.06 -0.55 0.00 -0.87 0.00 0.00 66.00 64.17 3h44 h PRO 546 Cb 1.17 -0.24 -0.08 0.00 0.13 0.00 0.00 31.00 31.97 3h44 h PRO 546 CO 0.59 0.70 -0.57 0.71 -0.23 0.00 0.00 178.00 179.20 3h44 s TYR 547 N -6.00 2.72 0.28 1.56 2.02 -1.26 -5.04 117.35 111.62 3h44 s TYR 547 Ca -0.12 -0.32 -0.30 0.00 -0.37 0.00 0.00 57.07 55.96 3h44 s TYR 547 Cb 0.21 -1.48 -0.11 0.00 -0.40 0.00 0.00 41.96 40.18 3h44 s TYR 547 CO 0.81 0.44 1.57 -1.25 -1.57 0.00 0.00 175.55 175.56 3h44 s PRO 548 N -3.78 4.15 0.01 -1.71 0.04 -1.26 -4.83 135.00 127.63 3h44 s PRO 548 Ca 0.35 2.52 -0.11 0.00 0.04 0.00 0.00 61.00 63.81 3h44 s PRO 548 Cb -0.04 -3.05 -0.05 0.00 0.04 0.00 0.00 34.50 31.40 3h44 s PRO 548 CO 0.22 -0.60 0.35 0.00 0.04 0.00 0.00 177.00 177.01 3h44 s ALA 549 N 0.09 3.75 -0.69 8.56 0.00 0.78 -4.75 121.76 129.50 3h44 s ALA 549 Ca 0.63 -0.39 -0.27 0.00 0.00 0.00 0.00 51.96 51.94 3h44 s ALA 549 Cb -0.47 -2.24 0.02 0.00 0.00 0.00 0.00 23.12 20.43 3h44 s ALA 549 CO 0.46 0.56 1.39 -1.17 0.00 0.00 0.00 175.76 177.00 3h44 s LEU 550 N -1.48 3.22 0.00 0.00 2.96 -1.26 -1.09 118.68 121.03 3h44 s LEU 550 Ca 0.27 -0.21 0.23 0.00 -0.22 0.00 0.00 54.13 54.20 3h44 s LEU 550 Cb -0.15 -2.63 0.44 0.00 0.50 0.00 0.00 46.19 44.35 3h44 s LEU 550 CO 0.14 -1.91 1.41 2.30 -1.32 0.00 0.00 176.35 176.97 3h44 n ILE 551 N 6.59 0.45 -3.64 6.68 -6.64 0.04 -4.87 119.36 117.97 3h44 n ILE 551 Ca 0.07 -0.70 -0.09 0.00 -1.77 0.00 0.00 62.75 60.26 3h44 n ILE 551 Cb 0.50 0.97 -0.07 0.00 -1.44 0.00 0.00 39.64 39.60 3h44 n ILE 551 CO 0.00 0.00 0.00 -0.75 -1.77 0.00 0.00 176.55 174.03 3h44 s LYS 552 N -1.55 0.71 -0.39 6.28 2.20 -1.20 -4.94 119.74 120.85 3h44 s LYS 552 Ca 0.38 1.16 0.11 0.00 -0.36 0.00 0.00 55.97 57.26 3h44 s LYS 552 Cb 0.22 0.18 0.35 0.00 -1.51 0.00 0.00 37.83 37.08 3h44 s LYS 552 CO 0.31 -0.14 0.77 -3.47 -0.36 0.00 0.00 175.35 172.46 3h44 n ASP 553 N 4.00 1.32 -4.83 1.43 2.03 -1.26 -1.16 116.55 118.09 3h44 n ASP 553 Ca -0.19 -3.09 -0.22 0.00 0.52 0.00 0.00 54.79 51.81 3h44 n ASP 553 Cb 0.58 -0.61 0.07 0.00 -0.72 0.00 0.00 41.12 40.45 3h44 n ASP 553 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3h44 s THR 554 N -2.73 2.36 0.31 5.18 -4.23 -0.47 -4.97 115.64 111.10 3h44 s THR 554 Ca 0.41 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 3h44 s THR 554 Cb 0.35 -2.71 0.27 0.00 1.34 0.00 0.00 72.50 71.75 3h44 s THR 554 CO -0.08 0.00 1.95 0.00 -0.54 0.00 0.00 174.62 175.95 3h44 h ALA 555 N -0.22 1.50 0.07 3.99 0.00 -1.99 -2.77 119.26 119.84 3h44 h ALA 555 Ca -0.38 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.24 3h44 h ALA 555 Cb 1.28 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3h44 h ALA 555 CO 0.45 0.41 -1.19 1.98 0.00 0.00 0.00 179.25 180.91 3h44 h MET 556 N 1.01 0.15 -2.62 0.00 1.85 -1.91 -3.37 114.93 110.04 3h44 h MET 556 Ca 0.33 -0.25 -0.07 0.00 -0.61 0.00 0.00 59.70 59.09 3h44 h MET 556 Cb 0.05 0.09 -0.18 0.00 0.43 0.00 0.00 31.60 31.99 3h44 h MET 556 CO -0.10 1.09 0.01 -1.54 -0.40 0.00 0.00 176.91 175.98 3h44 s SER 557 N -6.91 -0.44 -0.38 1.39 1.04 -1.04 -0.55 113.70 106.79 3h44 s SER 557 Ca -0.02 0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.72 3h44 s SER 557 Cb 0.08 0.47 0.12 0.00 0.10 0.00 0.00 66.02 66.79 3h44 s SER 557 CO 0.85 -0.63 0.18 -0.75 0.98 0.00 0.00 173.24 173.87 3h44 s LYS 558 N -1.88 1.07 -0.26 4.02 2.20 -0.06 -1.37 119.74 123.47 3h44 s LYS 558 Ca -0.08 -1.65 -0.23 0.00 -0.36 0.00 0.00 55.97 53.64 3h44 s LYS 558 Cb -0.01 -2.24 -0.01 0.00 -1.51 0.00 0.00 37.83 34.06 3h44 s LYS 558 CO 0.03 -1.09 0.78 -1.17 -0.36 0.00 0.00 175.35 173.54 3h44 s LEU 559 N 0.86 4.08 -0.15 5.43 2.96 -0.31 -2.12 118.68 129.43 3h44 s LEU 559 Ca 0.14 0.91 -0.08 0.00 -0.22 0.00 0.00 54.13 54.88 3h44 s LEU 559 Cb -0.22 -3.10 -0.04 0.00 0.50 0.00 0.00 46.19 43.33 3h44 s LEU 559 CO -0.09 -0.50 0.13 0.26 -1.32 0.00 0.00 176.35 174.83 3h44 s TRP 560 N 2.79 3.50 -0.07 5.38 0.52 0.68 -0.78 118.94 130.96 3h44 s TRP 560 Ca 0.33 0.42 -0.06 0.00 0.02 0.00 0.00 56.10 56.81 3h44 s TRP 560 Cb -0.15 -2.02 0.02 0.00 -1.15 0.00 0.00 33.47 30.17 3h44 s TRP 560 CO 0.08 0.54 0.18 0.12 0.02 0.00 0.00 176.95 177.90 3h44 s PHE 561 N -0.47 -0.21 -0.08 -1.98 5.36 -0.25 -0.31 117.98 120.04 3h44 s PHE 561 Ca 0.12 0.51 -0.04 0.00 -0.96 0.00 0.00 56.93 56.57 3h44 s PHE 561 Cb -0.12 0.04 0.05 0.00 -0.34 0.00 0.00 43.02 42.65 3h44 s PHE 561 CO 0.02 -0.12 0.18 0.21 -1.46 0.00 0.00 175.22 174.04 3h44 s LYS 562 N 0.37 0.09 0.03 10.12 2.20 -0.78 -0.16 119.74 131.61 3h44 s LYS 562 Ca -0.02 0.50 -0.30 0.00 -0.36 0.00 0.00 55.97 55.78 3h44 s LYS 562 Cb -0.04 -0.19 -0.04 0.00 -1.51 0.00 0.00 37.83 36.05 3h44 s LYS 562 CO -0.02 -0.23 1.05 -1.14 -0.36 0.00 0.00 175.35 174.65 3h44 s GLN 563 N 1.70 4.53 -0.17 4.03 0.74 -1.26 -2.59 119.66 126.64 3h44 s GLN 563 Ca -0.04 1.53 -0.37 0.00 0.05 0.00 0.00 55.36 56.54 3h44 s GLN 563 Cb -0.12 -3.42 -0.13 0.00 1.10 0.00 0.00 33.01 30.44 3h44 s GLN 563 CO -0.06 -0.10 1.83 -3.47 -0.55 0.00 0.00 175.29 172.94 3h44 n ASP 564 N 3.82 3.01 -0.53 6.67 2.03 0.48 -4.87 116.55 127.17 3h44 n ASP 564 Ca 0.07 1.01 0.05 0.00 0.52 0.00 0.00 54.79 56.44 3h44 n ASP 564 Cb 0.49 -1.28 0.11 0.00 -0.72 0.00 0.00 41.12 39.73 3h44 n ASP 564 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3h44 n ASP 565 N 6.12 2.56 -0.05 1.67 3.85 -1.26 -4.79 116.55 124.66 3h44 n ASP 565 Ca 0.24 -1.84 -0.10 0.00 -0.71 0.00 0.00 54.79 52.38 3h44 n ASP 565 Cb 0.23 -0.15 -0.03 0.00 -1.35 0.00 0.00 41.12 39.81 3h44 n ASP 565 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3h44 n LYS 566 N 0.46 0.26 -0.09 0.11 5.02 -1.26 -4.93 118.16 117.72 3h44 n LYS 566 Ca 0.09 0.11 -0.09 0.00 -2.02 0.00 0.00 58.31 56.40 3h44 n LYS 566 Cb 0.36 -0.94 -0.16 0.00 -0.02 0.00 0.00 35.03 34.28 3h44 n LYS 566 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3h44 n PHE 567 N -3.69 0.03 -3.99 2.13 3.01 -1.26 -5.02 117.46 108.66 3h44 n PHE 567 Ca -0.18 0.01 -0.31 0.00 1.01 0.00 0.00 57.45 57.97 3h44 n PHE 567 Cb 0.52 -0.98 0.01 0.00 -0.01 0.00 0.00 39.48 39.02 3h44 n PHE 567 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3h44 n PHE 568 N -2.73 -2.09 -4.00 1.38 3.01 -1.26 -5.01 117.46 106.75 3h44 n PHE 568 Ca -0.31 0.86 -0.23 0.00 1.01 0.00 0.00 57.45 58.78 3h44 n PHE 568 Cb 1.13 -3.70 -0.03 0.00 -0.01 0.00 0.00 39.48 36.87 3h44 n PHE 568 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3h44 s LEU 569 N -7.23 4.18 -0.24 4.37 1.43 -1.26 -4.94 118.68 114.99 3h44 s LEU 569 Ca 0.61 0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.68 3h44 s LEU 569 Cb -0.32 -2.73 -0.13 0.00 0.03 0.00 0.00 46.19 43.04 3h44 s LEU 569 CO 0.86 -0.02 3.26 -0.81 0.23 0.00 0.00 176.35 179.88 3h44 n PRO 570 N -1.01 2.25 -4.54 1.29 -0.04 -1.26 -4.57 135.00 127.12 3h44 n PRO 570 Ca -0.08 -1.59 -0.26 0.00 -0.04 0.00 0.00 63.50 61.53 3h44 n PRO 570 Cb 0.56 -2.09 -0.10 0.00 -0.04 0.00 0.00 33.50 31.83 3h44 n PRO 570 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3h44 s LYS 571 N -0.05 1.80 0.02 0.54 1.02 -1.26 -1.66 119.74 120.16 3h44 s LYS 571 Ca 0.64 -1.92 -0.11 0.00 0.02 0.00 0.00 55.97 54.59 3h44 s LYS 571 Cb 0.34 -1.71 0.01 0.00 -0.52 0.00 0.00 37.83 35.95 3h44 s LYS 571 CO -0.09 0.16 0.24 0.00 -0.92 0.00 0.00 175.35 174.74 3h44 s ALA 572 N -2.60 -0.54 -0.11 5.17 0.00 0.57 -1.44 121.76 122.81 3h44 s ALA 572 Ca 0.32 -0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.24 3h44 s ALA 572 Cb 0.02 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 3h44 s ALA 572 CO 0.16 -0.32 -0.07 -0.80 0.00 0.00 0.00 175.76 174.74 3h44 s ASN 573 N -1.75 4.61 -0.17 0.00 0.01 -0.15 -2.14 114.94 115.33 3h44 s ASN 573 Ca -0.09 -0.11 -0.00 0.00 -0.71 0.00 0.00 52.86 51.95 3h44 s ASN 573 Cb -0.03 -1.46 0.04 0.00 0.41 0.00 0.00 41.25 40.21 3h44 s ASN 573 CO -0.01 0.26 -0.07 -0.76 -1.51 0.00 0.00 177.10 175.02 3h44 s LEU 574 N -0.21 1.82 -0.10 0.60 1.43 -0.15 -1.80 118.68 120.28 3h44 s LEU 574 Ca 0.03 -0.72 0.03 0.00 -1.03 0.00 0.00 54.13 52.44 3h44 s LEU 574 Cb -0.13 -1.02 0.00 0.00 0.03 0.00 0.00 46.19 45.07 3h44 s LEU 574 CO 0.03 -0.17 -0.21 0.20 0.23 0.00 0.00 176.35 176.43 3h44 s ASN 575 N 1.55 2.77 -0.10 2.29 0.02 0.36 -0.50 114.94 121.34 3h44 s ASN 575 Ca 0.00 -0.50 -0.01 0.00 -1.02 0.00 0.00 52.86 51.33 3h44 s ASN 575 Cb -0.15 -1.27 0.03 0.00 0.02 0.00 0.00 41.25 39.88 3h44 s ASN 575 CO -0.08 0.12 -0.00 -0.36 0.02 0.00 0.00 177.10 176.80 3h44 s PHE 576 N 0.48 0.88 -0.34 2.20 0.40 0.56 -0.54 117.98 121.62 3h44 s PHE 576 Ca -0.17 -0.41 -0.22 0.00 -0.60 0.00 0.00 56.93 55.53 3h44 s PHE 576 Cb -0.17 -0.92 0.00 0.00 0.51 0.00 0.00 43.02 42.44 3h44 s PHE 576 CO 0.07 -0.42 0.73 -1.21 0.70 0.00 0.00 175.22 175.09 3h44 s GLU 577 N 1.90 3.80 -0.19 0.44 0.41 0.22 -1.49 118.70 123.79 3h44 s GLU 577 Ca 0.04 0.31 -0.18 0.00 -0.41 0.00 0.00 54.97 54.73 3h44 s GLU 577 Cb -0.13 -3.78 -0.03 0.00 -1.78 0.00 0.00 34.13 28.40 3h44 s GLU 577 CO -0.06 -0.75 0.49 -0.06 -0.49 0.00 0.00 175.26 174.38 3h44 s PHE 578 N 2.92 3.39 -0.21 1.61 0.40 0.31 -0.96 117.98 125.44 3h44 s PHE 578 Ca 0.29 0.76 -0.10 0.00 -0.60 0.00 0.00 56.93 57.27 3h44 s PHE 578 Cb -0.14 -2.62 -0.05 0.00 0.51 0.00 0.00 43.02 40.72 3h44 s PHE 578 CO 0.15 -0.04 0.15 -0.06 0.70 0.00 0.00 175.22 176.11 3h44 s PHE 579 N 1.42 3.38 -0.08 0.36 0.40 0.38 -0.76 117.98 123.08 3h44 s PHE 579 Ca 0.23 0.31 -0.06 0.00 -0.60 0.00 0.00 56.93 56.82 3h44 s PHE 579 Cb -0.15 -2.21 0.03 0.00 0.51 0.00 0.00 43.02 41.20 3h44 s PHE 579 CO 0.09 0.21 0.20 0.45 0.70 0.00 0.00 175.22 176.88 3h44 s SER 580 N 0.60 -0.21 0.52 1.36 0.15 -0.31 -3.00 113.70 112.82 3h44 s SER 580 Ca 0.08 0.42 0.20 0.00 0.70 0.00 0.00 55.95 57.35 3h44 s SER 580 Cb -0.12 0.36 1.32 0.00 -1.71 0.00 0.00 66.02 65.88 3h44 s SER 580 CO 0.01 -0.11 2.09 1.55 1.20 0.00 0.00 173.24 177.98 3h44 h PRO 581 N 6.52 0.00 0.00 5.44 0.13 -1.87 -2.91 132.00 139.31 3h44 h PRO 581 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3h44 h PRO 581 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3h44 h PRO 581 CO 0.39 0.00 -0.09 1.19 -0.23 0.00 0.00 178.00 179.26 3h44 n PHE 582 N -4.47 0.38 0.31 1.56 3.01 -1.26 -2.32 117.46 114.67 3h44 n PHE 582 Ca 0.02 0.11 0.14 0.00 1.01 0.00 0.00 57.45 58.73 3h44 n PHE 582 Cb 0.28 -0.65 0.45 0.00 -0.01 0.00 0.00 39.48 39.55 3h44 n PHE 582 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3h44 h ALA 583 N 2.79 1.00 0.00 4.37 0.00 -1.83 -3.34 119.26 122.25 3h44 h ALA 583 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h44 h ALA 583 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3h44 h ALA 583 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 179.25 180.23 3h44 n TYR 584 N -2.91 0.00 -0.37 0.00 4.19 -1.24 -3.71 117.16 113.13 3h44 n TYR 584 Ca 0.03 -0.00 0.30 0.00 3.31 0.00 0.00 57.90 61.53 3h44 n TYR 584 Cb 0.39 -0.00 0.60 0.00 0.49 0.00 0.00 39.34 40.82 3h44 n TYR 584 CO 0.00 0.00 0.00 -0.24 0.91 0.00 0.00 176.86 177.53 3h44 h VAL 585 N 1.25 0.38 -3.50 2.97 3.04 -1.59 -3.43 116.25 115.37 3h44 h VAL 585 Ca 0.00 -0.08 -0.05 0.00 -1.01 0.00 0.00 66.70 65.56 3h44 h VAL 585 Cb 0.56 0.14 -0.07 0.00 -2.01 0.00 0.00 31.29 29.90 3h44 h VAL 585 CO 0.00 0.04 -0.01 1.51 -1.01 0.00 0.00 177.57 178.10 3h44 s ASP 586 N -5.00 0.02 0.19 3.17 1.47 -1.26 -5.03 116.67 110.22 3h44 s ASP 586 Ca -0.08 -0.96 -0.15 0.00 1.18 0.00 0.00 52.55 52.54 3h44 s ASP 586 Cb 0.26 0.66 0.17 0.00 -0.34 0.00 0.00 42.92 43.67 3h44 s ASP 586 CO 0.81 -1.27 1.65 -0.65 0.68 0.00 0.00 175.17 176.39 3h44 h PRO 587 N 2.15 0.02 -0.80 2.11 0.11 -1.91 -1.42 132.00 132.26 3h44 h PRO 587 Ca -0.26 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.97 3h44 h PRO 587 Cb 1.25 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.27 3h44 h PRO 587 CO 0.34 0.01 0.41 1.25 -0.21 0.00 0.00 178.00 179.80 3h44 h LEU 588 N 0.02 0.51 -0.91 2.35 5.85 -1.89 -1.59 115.31 119.64 3h44 h LEU 588 Ca 0.25 0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.93 3h44 h LEU 588 Cb 0.38 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3h44 h LEU 588 CO -0.51 0.25 -0.53 0.45 -0.34 0.00 0.00 178.44 177.76 3h44 h HIS 589 N 0.63 0.05 0.33 1.25 3.86 -1.69 -1.69 115.15 117.88 3h44 h HIS 589 Ca 0.42 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.59 3h44 h HIS 589 Cb 0.52 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.98 3h44 h HIS 589 CO -0.10 0.56 -0.16 0.77 0.86 0.00 0.00 177.93 179.86 3h44 h SER 590 N 0.03 -0.37 -0.73 2.45 0.02 -0.36 0.10 113.55 114.69 3h44 h SER 590 Ca -0.00 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 3h44 h SER 590 Cb 0.95 0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.54 3h44 h SER 590 CO 0.07 -0.26 0.48 0.78 -1.14 0.00 0.00 176.83 176.76 3h44 h ASN 591 N -0.45 0.65 -0.07 3.07 2.35 -0.96 -1.61 115.58 118.56 3h44 h ASN 591 Ca -0.04 0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.56 3h44 h ASN 591 Cb 0.34 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.59 3h44 h ASN 591 CO 0.07 0.41 -0.55 0.24 -1.65 0.00 0.00 177.43 175.95 3h44 h MET 592 N 0.73 0.50 -0.78 0.81 2.86 -1.02 -0.03 114.93 118.00 3h44 h MET 592 Ca 0.32 -0.44 0.17 0.00 -2.06 0.00 0.00 59.70 57.68 3h44 h MET 592 Cb 0.31 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.02 3h44 h MET 592 CO -0.11 1.08 0.53 0.00 1.06 0.00 0.00 176.91 179.47 3h44 h ALA 593 N 0.43 2.19 0.18 6.32 0.00 -0.23 0.10 119.26 128.25 3h44 h ALA 593 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3h44 h ALA 593 Cb 1.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3h44 h ALA 593 CO 0.11 -0.41 -0.08 -0.92 0.00 0.00 0.00 179.25 177.95 3h44 h TYR 594 N 0.37 -0.22 -0.42 0.00 3.20 -1.16 -3.00 116.97 115.74 3h44 h TYR 594 Ca 0.39 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.34 3h44 h TYR 594 Cb 0.97 0.07 -0.09 0.00 1.54 0.00 0.00 36.73 39.23 3h44 h TYR 594 CO -0.00 -0.14 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.16 3h44 h LEU 595 N -0.49 -0.54 -0.90 2.82 -0.00 -0.51 0.34 115.31 116.03 3h44 h LEU 595 Ca -0.02 0.14 0.10 0.00 -0.00 0.00 0.00 57.88 58.10 3h44 h LEU 595 Cb 0.18 0.32 -0.12 0.00 -0.00 0.00 0.00 40.66 41.03 3h44 h LEU 595 CO 0.04 -0.19 -0.53 0.22 -0.00 0.00 0.00 178.44 177.99 3h44 h TYR 596 N -0.06 -1.64 -0.42 1.13 3.20 -0.96 0.16 116.97 118.38 3h44 h TYR 596 Ca 0.21 0.12 -0.08 0.00 3.14 0.00 0.00 58.73 62.11 3h44 h TYR 596 Cb 0.38 0.84 -0.02 0.00 1.54 0.00 0.00 36.73 39.46 3h44 h TYR 596 CO -0.41 -0.39 -0.07 -0.07 -1.64 0.00 0.00 178.16 175.58 3h44 h LEU 597 N -0.06 0.70 -0.65 2.82 4.07 -0.27 -0.26 115.31 121.66 3h44 h LEU 597 Ca 0.20 -0.19 -0.03 0.00 0.08 0.00 0.00 57.88 57.94 3h44 h LEU 597 Cb 0.48 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 42.01 3h44 h LEU 597 CO -0.90 0.81 0.31 -0.33 -1.08 0.00 0.00 178.44 177.25 3h44 h GLU 598 N 0.67 0.94 -0.17 1.13 4.39 0.06 -1.77 114.58 119.83 3h44 h GLU 598 Ca 0.12 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 3h44 h GLU 598 Cb 0.51 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3h44 h GLU 598 CO 0.03 0.76 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.40 3h44 h LEU 599 N 0.90 0.27 0.04 1.33 3.38 -0.11 0.03 115.31 121.15 3h44 h LEU 599 Ca 0.22 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3h44 h LEU 599 Cb 0.13 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3h44 h LEU 599 CO -0.03 0.46 -0.02 0.25 0.09 0.00 0.00 178.44 179.19 3h44 h LEU 600 N 0.26 -0.04 -0.84 1.67 5.85 -0.81 -0.32 115.31 121.08 3h44 h LEU 600 Ca 0.05 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.58 3h44 h LEU 600 Cb 0.45 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 3h44 h LEU 600 CO 0.03 0.17 0.55 0.11 -0.34 0.00 0.00 178.44 178.96 3h44 h LYS 601 N -0.26 1.10 -0.51 1.25 1.57 -1.09 0.18 116.57 118.81 3h44 h LYS 601 Ca -0.01 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 3h44 h LYS 601 Cb 0.24 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3h44 h LYS 601 CO 0.01 0.73 0.07 0.22 -0.57 0.00 0.00 179.45 179.90 3h44 h ASP 602 N 1.13 0.83 -0.01 0.86 1.82 -0.95 -0.68 116.42 119.41 3h44 h ASP 602 Ca 0.31 -0.27 -0.00 0.00 -0.39 0.00 0.00 57.03 56.68 3h44 h ASP 602 Cb -0.13 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 39.66 3h44 h ASP 602 CO -0.07 0.89 0.01 -1.28 -1.61 0.00 0.00 179.24 177.17 3h44 h SER 603 N 0.74 0.01 0.60 2.28 0.87 -0.40 -3.01 113.55 114.64 3h44 h SER 603 Ca 0.15 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3h44 h SER 603 Cb 0.42 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 3h44 h SER 603 CO 0.01 0.07 0.00 -0.07 -0.53 0.00 0.00 176.83 176.31 3h44 h LEU 604 N -0.04 0.00 -0.11 2.23 3.38 -0.78 -3.38 115.31 116.61 3h44 h LEU 604 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3h44 h LEU 604 Cb 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 3h44 h LEU 604 CO -0.00 0.00 -0.25 -1.13 0.09 0.00 0.00 178.44 177.15 3h44 h ASN 605 N 0.00 -0.76 -0.41 -0.43 -0.73 -0.98 0.46 115.58 112.73 3h44 h ASN 605 Ca 0.00 0.12 0.09 0.00 1.87 0.00 0.00 56.30 58.37 3h44 h ASN 605 Cb 0.30 0.33 -0.09 0.00 0.27 0.00 0.00 38.32 39.14 3h44 h ASN 605 CO 0.00 -0.30 -0.17 -0.33 -0.37 0.00 0.00 177.43 176.26 3h44 h GLU 606 N -0.32 -0.09 -0.30 6.67 5.08 -1.75 -1.04 114.58 122.82 3h44 h GLU 606 Ca 0.09 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3h44 h GLU 606 Cb 0.46 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3h44 h GLU 606 CO -0.29 -0.06 -0.06 -0.92 -1.00 0.00 0.00 179.01 176.68 3h44 h TYR 607 N -0.09 0.51 0.00 4.33 3.20 -1.63 -3.23 116.97 120.06 3h44 h TYR 607 Ca 0.20 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3h44 h TYR 607 Cb 0.40 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.52 3h44 h TYR 607 CO -0.42 0.54 -0.55 0.00 -1.64 0.00 0.00 178.16 176.09 3h44 h ALA 608 N 1.49 0.72 -0.53 1.82 0.00 0.15 -3.36 119.26 119.55 3h44 h ALA 608 Ca 0.09 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.10 3h44 h ALA 608 Cb 0.39 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 3h44 h ALA 608 CO 0.02 0.00 0.07 -0.92 0.00 0.00 0.00 179.25 178.41 3h44 h TYR 609 N 0.00 0.09 -0.78 0.00 3.20 -1.25 0.76 116.97 118.99 3h44 h TYR 609 Ca 0.00 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.98 3h44 h TYR 609 Cb 1.00 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 39.24 3h44 h TYR 609 CO 0.00 -0.06 0.44 0.00 -1.64 0.00 0.00 178.16 176.90 3h44 h ALA 610 N 1.44 1.08 -0.83 1.82 0.00 -1.77 -0.06 119.26 120.94 3h44 h ALA 610 Ca 0.27 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3h44 h ALA 610 Cb 0.40 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3h44 h ALA 610 CO -0.39 0.10 0.52 0.00 0.00 0.00 0.00 179.25 179.48 3h44 h ALA 611 N 1.42 1.34 -0.13 0.00 0.00 -1.08 -2.76 119.26 118.05 3h44 h ALA 611 Ca 0.36 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 3h44 h ALA 611 Cb 0.28 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3h44 h ALA 611 CO -0.22 0.58 -0.22 1.49 0.00 0.00 0.00 179.25 180.88 3h44 h GLU 612 N 1.14 0.37 -0.18 0.00 4.81 0.16 -0.76 114.58 120.13 3h44 h GLU 612 Ca 0.30 -0.23 0.05 0.00 -0.13 0.00 0.00 59.36 59.35 3h44 h GLU 612 Cb -0.08 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3h44 h GLU 612 CO -0.06 0.82 0.36 -0.07 -0.73 0.00 0.00 179.01 179.33 3h44 h LEU 613 N -0.04 0.00 -3.52 1.64 3.38 -1.24 -0.06 115.31 115.47 3h44 h LEU 613 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3h44 h LEU 613 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3h44 h LEU 613 CO 0.05 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.58 3h44 n ALA 614 N -2.10 3.83 -2.39 1.53 0.00 -0.43 -4.91 120.51 116.04 3h44 n ALA 614 Ca 0.02 -1.88 -0.12 0.00 0.00 0.00 0.00 53.44 51.46 3h44 n ALA 614 Cb 0.47 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3h44 n ALA 614 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h44 n GLY 615 N 0.67 -0.06 2.95 0.00 0.00 -0.04 -4.65 105.19 104.07 3h44 n GLY 615 Ca 0.28 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 3h44 n GLY 615 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h44 s LEU 616 N -3.52 1.77 0.05 0.99 0.20 -0.42 -2.44 118.68 115.30 3h44 s LEU 616 Ca 0.06 -0.64 -0.02 0.00 0.69 0.00 0.00 54.13 54.23 3h44 s LEU 616 Cb -0.03 -1.06 -0.04 0.00 -0.43 0.00 0.00 46.19 44.64 3h44 s LEU 616 CO 0.08 -0.13 -0.01 -0.94 -0.29 0.00 0.00 176.35 175.05 3h44 s SER 617 N 1.54 0.45 0.07 3.68 1.04 -0.24 -2.55 113.70 117.68 3h44 s SER 617 Ca 0.02 -0.94 0.01 0.00 0.48 0.00 0.00 55.95 55.52 3h44 s SER 617 Cb -0.15 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 3h44 s SER 617 CO -0.09 -0.59 -0.06 -0.72 0.98 0.00 0.00 173.24 172.76 3h44 s TYR 618 N -3.78 0.69 -0.05 5.02 -0.85 -1.26 -0.95 117.35 116.17 3h44 s TYR 618 Ca 0.06 -0.80 -0.02 0.00 -0.52 0.00 0.00 57.07 55.78 3h44 s TYR 618 Cb 0.07 -0.43 0.03 0.00 0.38 0.00 0.00 41.96 42.02 3h44 s TYR 618 CO -0.10 -0.18 0.09 0.34 -1.52 0.00 0.00 175.55 174.18 3h44 s ASP 619 N -2.47 1.05 -0.14 -0.18 2.15 -0.09 -5.00 116.67 111.98 3h44 s ASP 619 Ca 0.02 0.14 -0.02 0.00 0.43 0.00 0.00 52.55 53.12 3h44 s ASP 619 Cb 0.00 -0.03 0.05 0.00 -0.30 0.00 0.00 42.92 42.64 3h44 s ASP 619 CO -0.04 -0.25 0.02 -0.22 -0.17 0.00 0.00 175.17 174.51 3h44 s LEU 620 N 2.20 0.88 0.15 -1.34 2.96 -1.26 -0.68 118.68 121.60 3h44 s LEU 620 Ca 0.04 -0.48 -0.06 0.00 -0.22 0.00 0.00 54.13 53.41 3h44 s LEU 620 Cb -0.12 -0.52 -0.02 0.00 0.50 0.00 0.00 46.19 46.03 3h44 s LEU 620 CO -0.04 -0.26 0.20 0.00 -1.32 0.00 0.00 176.35 174.94 3h44 s GLN 621 N 1.92 1.08 0.18 1.98 -2.07 -0.83 -4.93 119.66 116.99 3h44 s GLN 621 Ca 0.02 -1.28 -0.26 0.00 -1.82 0.00 0.00 55.36 52.02 3h44 s GLN 621 Cb -0.15 0.33 -0.08 0.00 -1.09 0.00 0.00 33.01 32.02 3h44 s GLN 621 CO -0.07 -0.37 0.79 0.54 -1.32 0.00 0.00 175.29 174.86 3h44 s ASN 622 N -3.00 7.41 0.51 12.60 6.03 -1.26 0.25 114.94 137.48 3h44 s ASN 622 Ca 0.20 1.67 0.02 0.00 -1.03 0.00 0.00 52.86 53.72 3h44 s ASN 622 Cb 0.05 -2.51 -0.01 0.00 -3.03 0.00 0.00 41.25 35.75 3h44 s ASN 622 CO 0.01 0.20 0.06 0.42 -2.03 0.00 0.00 177.10 175.76 3h44 s THR 623 N -1.16 1.25 -1.77 0.54 -4.23 0.46 -4.87 115.64 105.84 3h44 s THR 623 Ca 0.36 -1.92 0.23 0.00 -1.18 0.00 0.00 61.69 59.18 3h44 s THR 623 Cb -0.23 -2.17 0.56 0.00 1.34 0.00 0.00 72.50 71.99 3h44 s THR 623 CO 0.27 0.00 1.75 2.30 -0.54 0.00 0.00 174.62 178.39 3h44 n ILE 624 N -1.33 0.12 0.38 2.99 -6.64 -1.26 -2.43 119.36 111.18 3h44 n ILE 624 Ca -0.16 0.03 0.04 0.00 -1.77 0.00 0.00 62.75 60.89 3h44 n ILE 624 Cb 0.67 -0.66 0.00 0.00 -1.44 0.00 0.00 39.64 38.20 3h44 n ILE 624 CO 0.00 0.00 0.00 -1.22 -1.77 0.00 0.00 176.55 173.56 3h44 n TYR 625 N -1.11 0.00 0.00 4.28 0.53 -1.26 -4.58 117.16 115.01 3h44 n TYR 625 Ca 0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.03 3h44 n TYR 625 Cb 0.12 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.43 3h44 n TYR 625 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3h44 n GLY 626 N 0.81 0.81 3.12 2.72 0.00 -1.02 -1.16 105.19 110.47 3h44 n GLY 626 Ca 0.04 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 3h44 n GLY 626 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h44 s MET 627 N 0.00 0.58 -0.04 1.61 -1.94 0.06 -0.41 119.30 119.16 3h44 s MET 627 Ca 0.00 -0.62 0.06 0.00 -1.71 0.00 0.00 55.69 53.41 3h44 s MET 627 Cb 0.00 0.23 -0.01 0.00 2.01 0.00 0.00 34.83 37.06 3h44 s MET 627 CO 0.00 -0.15 -0.21 -0.47 -0.01 0.00 0.00 175.02 174.18 3h44 s TYR 628 N -2.23 1.97 -0.07 -0.03 5.04 0.14 -0.53 117.35 121.64 3h44 s TYR 628 Ca -0.08 -0.49 -0.01 0.00 -2.44 0.00 0.00 57.07 54.05 3h44 s TYR 628 Cb -0.03 -1.29 0.03 0.00 0.35 0.00 0.00 41.96 41.01 3h44 s TYR 628 CO -0.03 -0.12 -0.00 -1.17 -1.34 0.00 0.00 175.55 172.89 3h44 s LEU 629 N -0.23 0.70 -0.11 6.97 0.20 -0.56 -1.97 118.68 123.68 3h44 s LEU 629 Ca 0.01 -0.09 0.02 0.00 0.69 0.00 0.00 54.13 54.77 3h44 s LEU 629 Cb -0.11 -0.43 0.01 0.00 -0.43 0.00 0.00 46.19 45.24 3h44 s LEU 629 CO 0.01 -0.17 -0.17 -0.55 -0.29 0.00 0.00 176.35 175.18 3h44 s SER 630 N 1.81 2.56 -0.24 3.68 0.15 0.15 -0.32 113.70 121.49 3h44 s SER 630 Ca 0.02 -0.46 -0.03 0.00 0.70 0.00 0.00 55.95 56.18 3h44 s SER 630 Cb -0.13 -1.16 0.01 0.00 -1.71 0.00 0.00 66.02 63.03 3h44 s SER 630 CO -0.04 0.04 -0.05 -0.69 1.20 0.00 0.00 173.24 173.70 3h44 s VAL 631 N 0.89 3.16 0.15 4.45 1.01 0.35 -0.91 120.40 129.50 3h44 s VAL 631 Ca -0.08 -0.75 0.10 0.00 0.00 0.00 0.00 61.98 61.25 3h44 s VAL 631 Cb -0.15 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 3h44 s VAL 631 CO -0.01 0.30 -0.23 -0.54 0.00 0.00 0.00 175.10 174.63 3h44 s LYS 632 N 1.41 1.35 0.00 2.72 1.02 -0.12 -0.98 119.74 125.14 3h44 s LYS 632 Ca 0.03 -1.38 0.00 0.00 0.02 0.00 0.00 55.97 54.64 3h44 s LYS 632 Cb -0.15 -1.65 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 3h44 s LYS 632 CO -0.04 0.37 0.00 0.41 -0.92 0.00 0.00 175.35 175.17 3h44 n GLY 633 N 0.61 0.71 3.72 -3.33 0.00 -0.91 -1.07 105.19 104.91 3h44 n GLY 633 Ca -0.16 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.33 3h44 n GLY 633 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h44 s TYR 634 N -1.22 3.10 0.29 1.61 2.02 -1.02 -0.31 117.35 121.82 3h44 s TYR 634 Ca 0.00 0.80 -0.01 0.00 -0.37 0.00 0.00 57.07 57.50 3h44 s TYR 634 Cb 0.00 -3.84 0.42 0.00 -0.40 0.00 0.00 41.96 38.15 3h44 s TYR 634 CO 0.00 -2.97 1.85 -2.95 -1.57 0.00 0.00 175.55 169.91 3h44 h ASN 635 N 6.40 0.77 -0.65 2.29 -1.07 -1.59 -3.35 115.58 118.39 3h44 h ASN 635 Ca -0.43 -0.12 0.09 0.00 0.07 0.00 0.00 56.30 55.91 3h44 h ASN 635 Cb 1.21 -0.20 -0.10 0.00 -2.07 0.00 0.00 38.32 37.16 3h44 h ASN 635 CO 0.87 0.73 -0.29 -0.67 0.07 0.00 0.00 177.43 178.15 3h44 n ASP 636 N -4.30 -0.49 -0.81 6.14 4.64 -1.26 -0.96 116.55 119.51 3h44 n ASP 636 Ca 0.04 1.13 0.07 0.00 -1.38 0.00 0.00 54.79 54.66 3h44 n ASP 636 Cb 0.20 -0.23 0.20 0.00 -1.04 0.00 0.00 41.12 40.25 3h44 n ASP 636 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3h44 n LYS 637 N -4.91 2.86 0.01 -0.67 4.76 -1.26 -4.74 118.16 114.21 3h44 n LYS 637 Ca 0.05 -2.21 -0.10 0.00 -2.87 0.00 0.00 58.31 53.18 3h44 n LYS 637 Cb 0.24 -1.36 -0.03 0.00 -1.84 0.00 0.00 35.03 32.03 3h44 n LYS 637 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 3h44 h GLN 638 N 2.53 -0.32 -1.03 1.97 4.15 -1.18 -1.55 115.11 119.68 3h44 h GLN 638 Ca 0.00 0.02 0.26 0.00 0.77 0.00 0.00 58.65 59.70 3h44 h GLN 638 Cb 0.82 0.07 -0.09 0.00 0.21 0.00 0.00 27.48 28.49 3h44 h GLN 638 CO 0.01 -0.21 0.67 -1.35 -1.93 0.00 0.00 178.83 176.02 3h44 h PRO 639 N -0.33 0.38 0.58 -2.39 0.11 -1.85 -2.03 132.00 126.46 3h44 h PRO 639 Ca 0.09 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 3h44 h PRO 639 Cb 0.47 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 3h44 h PRO 639 CO -0.29 0.25 -0.47 0.82 -0.21 0.00 0.00 178.00 178.10 3h44 h ILE 640 N 0.39 0.07 0.22 4.15 1.08 -1.63 -1.73 117.51 120.06 3h44 h ILE 640 Ca 0.59 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 65.06 3h44 h ILE 640 Cb 1.50 0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 35.29 3h44 h ILE 640 CO -0.28 0.00 -0.31 0.25 -0.69 0.00 0.00 178.15 177.11 3h44 h LEU 641 N -1.02 -0.87 -0.79 1.44 5.85 -1.35 -1.27 115.31 117.30 3h44 h LEU 641 Ca -0.07 0.09 0.13 0.00 0.84 0.00 0.00 57.88 58.87 3h44 h LEU 641 Cb 0.86 0.31 -0.14 0.00 0.37 0.00 0.00 40.66 42.07 3h44 h LEU 641 CO 0.00 -0.42 -0.35 0.25 -0.34 0.00 0.00 178.44 177.58 3h44 h LEU 642 N -0.60 -1.26 -0.73 2.25 6.46 -1.48 0.28 115.31 120.23 3h44 h LEU 642 Ca 0.01 0.27 -0.05 0.00 -0.12 0.00 0.00 57.88 57.98 3h44 h LEU 642 Cb 0.58 0.65 -0.03 0.00 -0.73 0.00 0.00 40.66 41.13 3h44 h LEU 642 CO -0.12 -0.30 0.24 0.50 -0.62 0.00 0.00 178.44 178.15 3h44 h LYS 643 N -0.08 1.13 -0.39 1.25 3.11 -0.82 0.32 116.57 121.10 3h44 h LYS 643 Ca 0.29 -0.24 -0.09 0.00 -2.81 0.00 0.00 60.65 57.81 3h44 h LYS 643 Cb 0.58 -0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 31.62 3h44 h LYS 643 CO -0.83 0.96 -0.11 -0.22 -2.81 0.00 0.00 179.45 176.43 3h44 h LYS 644 N 1.08 0.68 0.30 1.90 1.63 0.12 -0.90 116.57 121.38 3h44 h LYS 644 Ca 0.24 -0.21 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 3h44 h LYS 644 Cb 0.29 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 3h44 h LYS 644 CO -0.01 0.77 -0.14 0.82 -3.45 0.00 0.00 179.45 177.44 3h44 h ILE 645 N 0.62 0.73 0.40 2.00 2.04 0.90 -0.28 117.51 123.93 3h44 h ILE 645 Ca 0.11 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3h44 h ILE 645 Cb 0.55 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3h44 h ILE 645 CO 0.03 0.09 -0.42 0.40 0.00 0.00 0.00 178.15 178.25 3h44 h ILE 646 N -0.65 0.15 -0.84 -0.67 1.08 -0.84 -0.14 117.51 115.59 3h44 h ILE 646 Ca -0.04 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.59 3h44 h ILE 646 Cb 0.46 0.15 -0.16 0.00 -3.07 0.00 0.00 36.82 34.20 3h44 h ILE 646 CO 0.07 0.00 -0.23 -0.08 -0.69 0.00 0.00 178.15 177.21 3h44 h GLU 647 N -0.85 -0.01 -0.64 2.37 4.81 -1.21 0.82 114.58 119.87 3h44 h GLU 647 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3h44 h GLU 647 Cb 0.76 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 3h44 h GLU 647 CO -0.08 -0.01 0.40 0.87 -0.73 0.00 0.00 179.01 179.47 3h44 h LYS 648 N -0.01 0.86 -0.87 1.92 1.79 -0.21 -2.61 116.57 117.43 3h44 h LYS 648 Ca 0.39 -0.07 0.08 0.00 -2.18 0.00 0.00 60.65 58.87 3h44 h LYS 648 Cb 0.61 -0.18 -0.07 0.00 -1.58 0.00 0.00 32.23 31.01 3h44 h LYS 648 CO -0.87 0.60 0.53 0.52 -1.08 0.00 0.00 179.45 179.14 3h44 h MET 649 N 0.87 0.90 0.00 3.15 2.86 0.93 -2.55 114.93 121.08 3h44 h MET 649 Ca 0.23 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3h44 h MET 649 Cb -0.05 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.40 3h44 h MET 649 CO -0.05 0.60 -0.43 0.00 1.06 0.00 0.00 176.91 178.09 3h44 h ALA 650 N 1.43 0.77 -0.25 6.32 0.00 -0.88 -3.24 119.26 123.41 3h44 h ALA 650 Ca 0.39 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.10 3h44 h ALA 650 Cb 0.25 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.80 3h44 h ALA 650 CO -0.20 0.00 -0.77 0.25 0.00 0.00 0.00 179.25 178.53 3h44 n THR 651 N -2.72 1.74 -2.53 0.00 -2.24 -1.01 -4.45 114.28 103.06 3h44 n THR 651 Ca 0.03 -3.01 -0.40 0.00 -2.27 0.00 0.00 64.05 58.39 3h44 n THR 651 Cb 0.51 -0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 68.66 3h44 n THR 651 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3h44 s PHE 652 N -2.76 3.66 -0.30 4.78 5.36 -0.98 -4.97 117.98 122.78 3h44 s PHE 652 Ca 0.39 1.72 0.03 0.00 -0.96 0.00 0.00 56.93 58.12 3h44 s PHE 652 Cb 0.38 -3.23 0.08 0.00 -0.34 0.00 0.00 43.02 39.91 3h44 s PHE 652 CO -0.06 -0.37 -0.01 -2.00 -1.46 0.00 0.00 175.22 171.32 3h44 s GLU 653 N -1.19 1.71 0.09 10.12 2.56 -1.26 -5.10 118.70 125.63 3h44 s GLU 653 Ca 0.45 -1.57 -0.30 0.00 0.00 0.00 0.00 54.97 53.54 3h44 s GLU 653 Cb -0.30 -2.98 -0.06 0.00 2.00 0.00 0.00 34.13 32.79 3h44 s GLU 653 CO 0.38 -0.78 1.19 0.42 -0.56 0.00 0.00 175.26 175.91 3h44 s ILE 654 N 1.05 3.94 -0.21 -3.70 1.01 -1.26 -5.01 121.20 117.01 3h44 s ILE 654 Ca 0.03 1.44 -0.24 0.00 0.00 0.00 0.00 60.65 61.88 3h44 s ILE 654 Cb -0.19 -3.92 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 3h44 s ILE 654 CO -0.08 0.14 0.79 -0.62 0.00 0.00 0.00 174.94 175.17 3h44 s ASP 655 N 0.83 6.83 0.24 3.58 -1.08 -1.26 -4.97 116.67 120.84 3h44 s ASP 655 Ca 0.57 1.03 -0.08 0.00 -0.52 0.00 0.00 52.55 53.55 3h44 s ASP 655 Cb -0.30 -2.42 0.40 0.00 -1.46 0.00 0.00 42.92 39.13 3h44 s ASP 655 CO 0.31 -0.44 1.63 -0.08 0.52 0.00 0.00 175.17 177.11 3h44 h GLU 656 N 7.56 0.08 -0.30 4.34 4.57 -2.00 -1.76 114.58 127.07 3h44 h GLU 656 Ca -0.26 -0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.86 3h44 h GLU 656 Cb 1.11 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 3h44 h GLU 656 CO 0.84 0.05 -0.01 0.87 -1.18 0.00 0.00 179.01 179.59 3h44 h LYS 657 N 0.08 0.53 -0.10 1.92 1.79 -2.00 -2.59 116.57 116.19 3h44 h LYS 657 Ca 0.39 -0.17 0.03 0.00 -2.18 0.00 0.00 60.65 58.73 3h44 h LYS 657 Cb 0.67 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.24 3h44 h LYS 657 CO -0.67 0.68 -0.11 0.00 -1.08 0.00 0.00 179.45 178.27 3h44 h ARG 658 N 0.32 -0.13 -0.50 3.15 2.47 -1.89 -1.69 114.38 116.11 3h44 h ARG 658 Ca 0.08 0.01 0.10 0.00 -1.26 0.00 0.00 59.98 58.91 3h44 h ARG 658 Cb 0.44 0.03 -0.10 0.00 -1.65 0.00 0.00 29.97 28.70 3h44 h ARG 658 CO 0.02 -0.09 -0.16 0.35 0.56 0.00 0.00 179.97 180.65 3h44 h PHE 659 N -0.14 -0.36 -0.17 3.04 3.57 -1.26 0.14 116.94 121.77 3h44 h PHE 659 Ca 0.07 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 3h44 h PHE 659 Cb 0.24 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 3h44 h PHE 659 CO -0.22 -0.25 0.09 1.49 -2.23 0.00 0.00 178.31 177.19 3h44 h GLU 660 N -0.04 0.23 0.21 1.11 4.57 -1.18 -0.91 114.58 118.58 3h44 h GLU 660 Ca 0.24 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.38 3h44 h GLU 660 Cb 0.41 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 3h44 h GLU 660 CO -0.54 0.24 -0.10 0.82 -1.18 0.00 0.00 179.01 178.25 3h44 h ILE 661 N 0.16 0.83 -0.39 2.32 2.04 -0.88 -1.26 117.51 120.34 3h44 h ILE 661 Ca 0.06 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.79 3h44 h ILE 661 Cb 0.08 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 3h44 h ILE 661 CO -0.01 0.04 0.15 0.40 0.00 0.00 0.00 178.15 178.73 3h44 h ILE 662 N -0.37 0.91 -0.50 -0.67 5.03 -0.69 -2.19 117.51 119.04 3h44 h ILE 662 Ca -0.03 -0.11 0.05 0.00 -0.12 0.00 0.00 64.86 64.65 3h44 h ILE 662 Cb 0.28 0.56 -0.05 0.00 -3.03 0.00 0.00 36.82 34.59 3h44 h ILE 662 CO 0.05 0.06 0.23 0.50 -0.68 0.00 0.00 178.15 178.31 3h44 h LYS 663 N 0.32 0.44 -0.94 2.37 3.64 -1.04 0.76 116.57 122.12 3h44 h LYS 663 Ca 0.17 -0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.65 3h44 h LYS 663 Cb 0.13 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 31.77 3h44 h LYS 663 CO -0.16 0.29 0.57 1.49 -2.27 0.00 0.00 179.45 179.37 3h44 h GLU 664 N 0.45 0.86 -0.24 1.90 4.22 -0.87 -2.00 114.58 118.90 3h44 h GLU 664 Ca 0.22 -0.05 -0.11 0.00 0.08 0.00 0.00 59.36 59.51 3h44 h GLU 664 Cb 0.16 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 3h44 h GLU 664 CO -0.18 0.57 -0.26 0.00 -2.18 0.00 0.00 179.01 176.96 3h44 h ALA 665 N 1.53 0.36 -0.51 2.92 0.00 -0.50 -2.52 119.26 120.53 3h44 h ALA 665 Ca 0.48 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3h44 h ALA 665 Cb 0.51 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3h44 h ALA 665 CO -0.28 0.35 0.34 -0.92 0.00 0.00 0.00 179.25 178.73 3h44 h TYR 666 N 0.31 0.61 -0.14 0.00 3.20 -0.49 0.12 116.97 120.59 3h44 h TYR 666 Ca 0.04 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 3h44 h TYR 666 Cb 0.82 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 3h44 h TYR 666 CO 0.08 0.38 -0.01 1.98 -1.64 0.00 0.00 178.16 178.94 3h44 h MET 667 N 0.65 0.25 -0.67 1.82 4.05 -1.17 -0.16 114.93 119.70 3h44 h MET 667 Ca 0.19 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.51 3h44 h MET 667 Cb -0.01 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.74 3h44 h MET 667 CO -0.05 0.50 0.34 0.00 0.23 0.00 0.00 176.91 177.94 3h44 h ARG 668 N -0.03 0.94 0.01 0.39 3.08 -0.97 -1.86 114.38 115.95 3h44 h ARG 668 Ca 0.04 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 3h44 h ARG 668 Cb 0.40 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3h44 h ARG 668 CO 0.01 0.71 -0.00 1.03 -1.07 0.00 0.00 179.97 180.65 3h44 h SER 669 N 0.95 -0.01 -0.33 7.04 0.87 -0.45 0.47 113.55 122.08 3h44 h SER 669 Ca 0.24 -0.17 0.05 0.00 -1.23 0.00 0.00 61.79 60.67 3h44 h SER 669 Cb 0.06 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.98 3h44 h SER 669 CO -0.03 0.17 0.06 -0.07 -0.53 0.00 0.00 176.83 176.42 3h44 h LEU 670 N -0.19 -0.01 -0.89 2.23 3.38 -0.90 -2.16 115.31 116.77 3h44 h LEU 670 Ca -0.00 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.08 3h44 h LEU 670 Cb 0.18 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 3h44 h LEU 670 CO 0.00 0.03 0.57 0.78 0.09 0.00 0.00 178.44 179.91 3h44 h ASN 671 N 0.17 0.90 0.26 -0.43 2.35 -0.99 -2.36 115.58 115.48 3h44 h ASN 671 Ca 0.15 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3h44 h ASN 671 Cb 0.18 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3h44 h ASN 671 CO -0.21 0.59 0.00 0.59 -1.65 0.00 0.00 177.43 176.75 3h44 n ASN 672 N -4.58 0.00 -0.29 5.81 5.03 0.16 -1.03 115.26 120.37 3h44 n ASN 672 Ca 0.13 0.34 0.01 0.00 0.87 0.00 0.00 54.58 55.93 3h44 n ASN 672 Cb 0.16 -0.40 0.14 0.00 -1.02 0.00 0.00 39.78 38.66 3h44 n ASN 672 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 3h44 h PHE 673 N 0.00 0.87 -0.61 3.10 3.57 -1.31 -1.95 116.94 120.61 3h44 h PHE 673 Ca 0.00 0.03 0.18 0.00 3.53 0.00 0.00 57.97 61.70 3h44 h PHE 673 Cb 0.13 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 3h44 h PHE 673 CO 0.00 0.40 1.06 -0.09 -2.23 0.00 0.00 178.31 177.46 3h44 h ARG 674 N 0.84 0.00 -0.01 1.11 2.43 -1.28 0.33 114.38 117.79 3h44 h ARG 674 Ca 0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 3h44 h ARG 674 Cb 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3h44 h ARG 674 CO -0.21 0.00 -0.55 0.00 -1.51 0.00 0.00 179.97 177.70 3h44 n ALA 675 N -1.99 3.73 -0.86 2.80 0.00 -0.73 -4.48 120.51 118.98 3h44 n ALA 675 Ca 0.13 -0.56 -0.30 0.00 0.00 0.00 0.00 53.44 52.71 3h44 n ALA 675 Cb 1.25 -0.88 0.16 0.00 0.00 0.00 0.00 19.45 19.98 3h44 n ALA 675 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3h44 s GLU 676 N -2.64 1.05 0.43 0.00 0.41 0.11 -4.88 118.70 113.19 3h44 s GLU 676 Ca 0.17 1.29 -0.24 0.00 -0.41 0.00 0.00 54.97 55.77 3h44 s GLU 676 Cb 0.18 -1.75 -0.08 0.00 -1.78 0.00 0.00 34.13 30.70 3h44 s GLU 676 CO 0.64 -2.52 1.19 -1.14 -0.49 0.00 0.00 175.26 172.94 3h44 s GLN 677 N -4.71 3.88 0.21 1.61 2.00 -1.26 -4.84 119.66 116.55 3h44 s GLN 677 Ca 0.65 1.88 -0.12 0.00 -2.00 0.00 0.00 55.36 55.77 3h44 s GLN 677 Cb -0.21 -2.56 0.26 0.00 0.80 0.00 0.00 33.01 31.30 3h44 s GLN 677 CO 0.58 -0.48 1.66 -1.35 -0.50 0.00 0.00 175.29 175.21 3h44 h PRO 678 N 2.35 0.10 -0.00 1.67 0.11 -1.91 0.79 132.00 135.10 3h44 h PRO 678 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3h44 h PRO 678 Cb 1.24 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3h44 h PRO 678 CO 0.61 0.06 0.04 1.12 -0.21 0.00 0.00 178.00 179.62 3h44 h HIS 679 N 0.10 0.00 0.06 0.65 2.07 -1.86 0.37 115.15 116.53 3h44 h HIS 679 Ca 0.30 0.00 -0.32 0.00 -2.85 0.00 0.00 60.37 57.50 3h44 h HIS 679 Cb 0.48 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.43 3h44 h HIS 679 CO -0.37 0.00 -1.78 1.96 -3.07 0.00 0.00 177.93 174.67 3h44 h GLN 680 N 0.00 0.13 -0.39 5.12 4.20 -1.21 -2.15 115.11 120.81 3h44 h GLN 680 Ca 0.00 -0.22 0.08 0.00 0.06 0.00 0.00 58.65 58.57 3h44 h GLN 680 Cb 0.08 0.08 -0.09 0.00 0.30 0.00 0.00 27.48 27.85 3h44 h GLN 680 CO -0.00 0.84 -0.19 0.45 -0.67 0.00 0.00 178.83 179.26 3h44 h HIS 681 N 0.04 -0.48 -0.15 2.96 3.86 -1.06 0.44 115.15 120.76 3h44 h HIS 681 Ca -0.33 0.04 0.05 0.00 -1.16 0.00 0.00 60.37 58.98 3h44 h HIS 681 Cb 2.02 0.27 -0.07 0.00 1.06 0.00 0.00 27.41 30.69 3h44 h HIS 681 CO 0.04 -0.27 -0.34 0.00 0.86 0.00 0.00 177.93 178.22 3h44 h ALA 682 N 1.16 -0.40 -0.66 2.45 0.00 -0.94 0.10 119.26 120.96 3h44 h ALA 682 Ca 0.19 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3h44 h ALA 682 Cb 0.42 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3h44 h ALA 682 CO -0.47 -0.82 0.37 0.52 0.00 0.00 0.00 179.25 178.86 3h44 h MET 683 N -0.41 0.92 0.27 0.00 2.07 -0.90 -1.77 114.93 115.11 3h44 h MET 683 Ca 0.10 -0.10 -0.01 0.00 -2.07 0.00 0.00 59.70 57.62 3h44 h MET 683 Cb 0.56 -0.18 -0.01 0.00 -1.87 0.00 0.00 31.60 30.10 3h44 h MET 683 CO -0.37 0.69 -0.18 -0.92 1.07 0.00 0.00 176.91 177.19 3h44 h TYR 684 N 0.91 -0.47 -0.82 -0.22 3.20 0.73 -1.70 116.97 118.59 3h44 h TYR 684 Ca 0.23 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.22 3h44 h TYR 684 Cb 0.03 0.17 -0.08 0.00 1.54 0.00 0.00 36.73 38.39 3h44 h TYR 684 CO -0.01 -0.28 0.44 1.88 -1.64 0.00 0.00 178.16 178.55 3h44 h TYR 685 N -0.44 0.79 -0.41 -3.82 0.05 -0.88 -1.58 116.97 110.68 3h44 h TYR 685 Ca -0.02 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 3h44 h TYR 685 Cb 0.38 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 3h44 h TYR 685 CO -0.10 0.26 0.22 1.25 -1.05 0.00 0.00 178.16 178.73 3h44 h LEU 686 N 0.69 0.52 -0.47 3.88 5.85 -0.85 -0.37 115.31 124.56 3h44 h LEU 686 Ca 0.42 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 59.13 3h44 h LEU 686 Cb 0.50 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.30 3h44 h LEU 686 CO -0.30 0.47 -0.35 -0.09 -0.34 0.00 0.00 178.44 177.82 3h44 h ARG 687 N 0.53 -0.23 -0.87 1.25 9.65 -0.68 -1.78 114.38 122.25 3h44 h ARG 687 Ca 0.14 0.02 0.07 0.00 -1.10 0.00 0.00 59.98 59.11 3h44 h ARG 687 Cb 0.07 0.05 -0.07 0.00 -1.39 0.00 0.00 29.97 28.64 3h44 h ARG 687 CO -0.02 -0.15 0.54 -0.07 2.80 0.00 0.00 179.97 183.06 3h44 h LEU 688 N -0.24 0.82 -0.73 3.80 3.38 -0.99 -2.80 115.31 118.55 3h44 h LEU 688 Ca 0.18 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 58.04 3h44 h LEU 688 Cb 0.55 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3h44 h LEU 688 CO -0.59 0.51 -0.55 -0.07 0.09 0.00 0.00 178.44 177.82 3h44 h LEU 689 N 0.95 0.27 -1.84 1.67 3.38 -0.35 -3.31 115.31 116.08 3h44 h LEU 689 Ca 0.39 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3h44 h LEU 689 Cb 0.24 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3h44 h LEU 689 CO -0.20 0.77 0.00 0.23 0.09 0.00 0.00 178.44 179.33 3h44 n MET 690 N -3.91 1.77 -4.46 1.13 2.81 -0.74 -4.82 117.12 108.90 3h44 n MET 690 Ca -0.02 -1.72 -0.34 0.00 -1.81 0.00 0.00 57.70 53.80 3h44 n MET 690 Cb 0.58 -1.38 -0.11 0.00 -0.71 0.00 0.00 33.22 31.61 3h44 n MET 690 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3h44 s THR 691 N -1.55 4.01 0.10 2.03 2.01 -1.07 -2.09 115.64 119.09 3h44 s THR 691 Ca 0.24 -0.35 -0.21 0.00 0.31 0.00 0.00 61.69 61.68 3h44 s THR 691 Cb 0.16 -2.69 -0.06 0.00 0.01 0.00 0.00 72.50 69.93 3h44 s THR 691 CO 0.24 0.57 1.37 -0.08 -0.69 0.00 0.00 174.62 176.03 3h44 h GLU 692 N 5.60 -0.11 -5.25 4.92 4.81 -1.73 -3.39 114.58 119.42 3h44 h GLU 692 Ca -0.45 0.01 -0.67 0.00 -0.13 0.00 0.00 59.36 58.12 3h44 h GLU 692 Cb 1.18 0.03 -0.32 0.00 0.63 0.00 0.00 28.75 30.27 3h44 h GLU 692 CO 0.56 -0.08 -0.85 0.08 -0.73 0.00 0.00 179.01 178.00 3h44 s VAL 693 N -4.72 2.29 -0.25 0.32 1.01 -1.26 -5.06 120.40 112.72 3h44 s VAL 693 Ca -0.09 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 60.92 3h44 s VAL 693 Cb 0.07 -1.92 0.13 0.00 0.00 0.00 0.00 36.38 34.66 3h44 s VAL 693 CO 0.42 0.54 0.49 0.00 0.00 0.00 0.00 175.10 176.54 3h44 s ALA 694 N 0.62 -1.51 0.06 5.51 0.00 -1.26 -5.10 121.76 120.08 3h44 s ALA 694 Ca -0.11 1.59 -0.30 0.00 0.00 0.00 0.00 51.96 53.14 3h44 s ALA 694 Cb -0.16 -1.65 -0.05 0.00 0.00 0.00 0.00 23.12 21.26 3h44 s ALA 694 CO 0.03 -1.02 0.95 -1.58 0.00 0.00 0.00 175.76 174.14 3h44 s TRP 695 N 2.70 3.74 0.59 0.00 0.23 -1.26 -5.00 118.94 119.94 3h44 s TRP 695 Ca 0.05 1.73 -0.16 0.00 -2.03 0.00 0.00 56.10 55.69 3h44 s TRP 695 Cb -0.13 -3.06 -0.04 0.00 0.03 0.00 0.00 33.47 30.27 3h44 s TRP 695 CO -0.16 0.12 1.06 0.95 0.96 0.00 0.00 176.95 179.88 3h44 s THR 696 N 0.42 3.77 0.35 2.01 -4.23 -1.26 -4.88 115.64 111.82 3h44 s THR 696 Ca 0.48 0.85 0.10 0.00 -1.18 0.00 0.00 61.69 61.94 3h44 s THR 696 Cb -0.22 -3.37 0.33 0.00 1.34 0.00 0.00 72.50 70.58 3h44 s THR 696 CO 0.28 -0.48 1.83 0.11 -0.54 0.00 0.00 174.62 175.82 3h44 h LYS 697 N 0.47 0.65 -0.35 3.99 1.79 -1.96 -1.16 116.57 119.99 3h44 h LYS 697 Ca -0.47 -0.04 0.02 0.00 -2.18 0.00 0.00 60.65 57.98 3h44 h LYS 697 Cb 1.22 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 31.70 3h44 h LYS 697 CO 0.57 0.43 0.19 -0.44 -1.08 0.00 0.00 179.45 179.12 3h44 h ASP 698 N 0.67 0.29 0.79 0.86 5.19 -1.94 0.21 116.42 122.48 3h44 h ASP 698 Ca 0.51 0.01 -0.15 0.00 -0.62 0.00 0.00 57.03 56.78 3h44 h ASP 698 Cb 0.90 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.34 3h44 h ASP 698 CO -0.27 0.21 -0.70 1.05 -3.12 0.00 0.00 179.24 176.42 3h44 h GLU 699 N 0.39 0.00 -0.28 3.56 4.11 -1.73 -1.37 114.58 119.25 3h44 h GLU 699 Ca 0.14 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.54 3h44 h GLU 699 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3h44 h GLU 699 CO -0.09 0.70 0.05 -0.07 0.07 0.00 0.00 179.01 179.67 3h44 h LEU 700 N 0.00 0.45 -0.51 3.06 3.38 -0.98 -0.38 115.31 120.33 3h44 h LEU 700 Ca -0.01 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.72 3h44 h LEU 700 Cb 1.28 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 3h44 h LEU 700 CO 0.09 0.59 0.32 0.50 0.09 0.00 0.00 178.44 180.03 3h44 h LYS 701 N 0.29 0.62 -0.58 1.13 3.64 -0.53 -2.71 116.57 118.42 3h44 h LYS 701 Ca 0.09 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 3h44 h LYS 701 Cb 0.33 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3h44 h LYS 701 CO 0.00 0.41 0.13 1.49 -2.27 0.00 0.00 179.45 179.21 3h44 h GLU 702 N 0.64 0.94 0.00 1.90 4.81 -1.14 -2.74 114.58 118.99 3h44 h GLU 702 Ca 0.20 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3h44 h GLU 702 Cb -0.02 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.24 3h44 h GLU 702 CO -0.07 0.87 0.00 0.00 -0.73 0.00 0.00 179.01 179.08 3h44 n ALA 703 N -2.42 2.59 0.22 2.92 0.00 -0.16 -3.88 120.51 119.78 3h44 n ALA 703 Ca 0.03 -0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.40 3h44 n ALA 703 Cb 0.25 -1.47 0.08 0.00 0.00 0.00 0.00 19.45 18.31 3h44 n ALA 703 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3h44 h LEU 704 N 0.00 0.00 -0.64 0.00 5.85 -1.20 -3.15 115.31 116.17 3h44 h LEU 704 Ca 0.00 -0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.54 3h44 h LEU 704 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3h44 h LEU 704 CO 0.00 0.02 -0.54 0.44 -0.34 0.00 0.00 178.44 178.02 3h44 h ASP 705 N 0.00 0.44 0.15 1.25 5.19 -1.76 -3.01 116.42 118.69 3h44 h ASP 705 Ca 0.00 -0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 3h44 h ASP 705 Cb 0.95 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.34 3h44 h ASP 705 CO 0.00 0.89 0.00 0.47 -3.12 0.00 0.00 179.24 177.48 3h44 n ASP 706 N -3.94 0.08 -4.54 6.45 10.43 -1.19 -4.55 116.55 119.30 3h44 n ASP 706 Ca -0.03 0.53 -0.42 0.00 2.57 0.00 0.00 54.79 57.45 3h44 n ASP 706 Cb 0.58 -0.55 -0.03 0.00 1.84 0.00 0.00 41.12 42.96 3h44 n ASP 706 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3h44 s VAL 707 N -3.07 4.13 0.32 2.53 1.01 -1.14 -4.98 120.40 119.20 3h44 s VAL 707 Ca 0.02 0.42 0.08 0.00 0.00 0.00 0.00 61.98 62.50 3h44 s VAL 707 Cb 0.03 -4.70 -0.04 0.00 0.00 0.00 0.00 36.38 31.68 3h44 s VAL 707 CO 0.10 -1.38 0.16 0.42 0.00 0.00 0.00 175.10 174.39 3h44 s THR 708 N 4.65 3.26 0.12 3.92 -4.23 -1.26 -5.01 115.64 117.09 3h44 s THR 708 Ca 0.34 -1.64 -0.20 0.00 -1.18 0.00 0.00 61.69 59.01 3h44 s THR 708 Cb -0.11 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.66 3h44 s THR 708 CO 0.19 -0.21 1.71 0.25 -0.54 0.00 0.00 174.62 176.02 3h44 h LEU 709 N 1.53 -0.14 -0.57 4.79 5.85 -1.99 -1.97 115.31 122.80 3h44 h LEU 709 Ca -0.44 0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.43 3h44 h LEU 709 Cb 1.25 0.10 -0.11 0.00 0.37 0.00 0.00 40.66 42.27 3h44 h LEU 709 CO 0.62 -0.05 -0.30 -0.65 -0.34 0.00 0.00 178.44 177.72 3h44 h PRO 710 N 0.02 -0.14 -0.80 5.25 0.11 -2.00 -1.96 132.00 132.47 3h44 h PRO 710 Ca 0.09 0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.30 3h44 h PRO 710 Cb 0.13 0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.21 3h44 h PRO 710 CO -0.18 -0.09 0.52 0.00 -0.21 0.00 0.00 178.00 178.04 3h44 h ARG 711 N -0.15 0.74 0.17 1.05 -0.00 -1.81 -2.69 114.38 111.69 3h44 h ARG 711 Ca 0.24 -0.04 -0.24 0.00 -0.50 0.00 0.00 59.98 59.43 3h44 h ARG 711 Cb 0.54 -0.17 0.02 0.00 0.00 0.00 0.00 29.97 30.36 3h44 h ARG 711 CO -0.66 0.49 -1.10 1.25 0.00 0.00 0.00 179.97 179.95 3h44 h LEU 712 N 0.76 0.57 -0.89 3.04 6.46 -0.93 -2.13 115.31 122.19 3h44 h LEU 712 Ca 0.37 -0.93 0.23 0.00 -0.12 0.00 0.00 57.88 57.42 3h44 h LEU 712 Cb 0.42 -0.18 -0.13 0.00 -0.73 0.00 0.00 40.66 40.04 3h44 h LEU 712 CO -0.14 1.52 0.34 0.11 -0.62 0.00 0.00 178.44 179.65 3h44 h LYS 713 N -0.21 0.31 -0.40 1.25 1.79 -1.21 -0.57 116.57 117.54 3h44 h LYS 713 Ca -0.20 -0.02 -0.15 0.00 -2.18 0.00 0.00 60.65 58.10 3h44 h LYS 713 Cb 1.82 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 32.39 3h44 h LYS 713 CO 0.18 0.20 -0.35 0.00 -1.08 0.00 0.00 179.45 178.40 3h44 h ALA 714 N 1.74 0.61 0.05 3.86 0.00 -1.49 -3.31 119.26 120.72 3h44 h ALA 714 Ca 0.56 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3h44 h ALA 714 Cb 1.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3h44 h ALA 714 CO -0.58 0.68 -0.06 0.35 0.00 0.00 0.00 179.25 179.64 3h44 h PHE 715 N 0.77 -0.15 -0.54 0.00 3.57 -0.41 -3.08 116.94 117.10 3h44 h PHE 715 Ca 0.07 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.66 3h44 h PHE 715 Cb 0.94 0.06 -0.11 0.00 2.79 0.00 0.00 35.95 39.64 3h44 h PHE 715 CO 0.06 -0.10 -0.39 0.82 -2.23 0.00 0.00 178.31 176.47 3h44 h ILE 716 N -0.13 0.13 -0.23 1.41 2.04 -1.49 -0.77 117.51 118.46 3h44 h ILE 716 Ca 0.01 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.76 3h44 h ILE 716 Cb 0.13 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 3h44 h ILE 716 CO -0.03 0.00 -0.31 -0.65 0.00 0.00 0.00 178.15 177.17 3h44 h PRO 717 N -0.22 0.47 0.06 2.37 0.11 -1.72 -1.44 132.00 131.63 3h44 h PRO 717 Ca 0.19 -0.20 0.01 0.00 0.11 0.00 0.00 66.00 66.11 3h44 h PRO 717 Cb 0.56 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.62 3h44 h PRO 717 CO -0.66 0.73 -0.32 0.37 -0.21 0.00 0.00 178.00 177.91 3h44 h GLN 718 N 0.41 -0.43 -0.67 1.05 -0.00 -1.18 -2.32 115.11 111.96 3h44 h GLN 718 Ca 0.05 0.03 0.11 0.00 -0.00 0.00 0.00 58.65 58.85 3h44 h GLN 718 Cb 0.74 0.10 -0.08 0.00 0.00 0.00 0.00 27.48 28.24 3h44 h GLN 718 CO 0.06 -0.29 0.26 1.25 0.00 0.00 0.00 178.83 180.10 3h44 h LEU 719 N -0.45 0.24 0.00 -2.39 5.85 -0.92 -2.28 115.31 115.36 3h44 h LEU 719 Ca -0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3h44 h LEU 719 Cb 0.46 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3h44 h LEU 719 CO -0.19 0.12 0.00 0.18 -0.34 0.00 0.00 178.44 178.22 3h44 n LEU 720 N -5.00 0.00 0.00 2.25 4.77 -0.57 -3.91 117.00 114.55 3h44 n LEU 720 Ca 0.11 0.13 0.02 0.00 -0.03 0.00 0.00 56.01 56.24 3h44 n LEU 720 Cb 0.33 -0.13 -0.11 0.00 -2.33 0.00 0.00 43.42 41.18 3h44 n LEU 720 CO 0.20 -0.03 -0.54 -1.54 -1.33 0.00 0.00 177.39 174.15 3h44 n SER 721 N -1.13 0.49 -3.85 -1.43 3.41 -0.86 -4.20 113.62 106.05 3h44 n SER 721 Ca 0.15 0.21 -0.27 0.00 -0.26 0.00 0.00 58.87 58.70 3h44 n SER 721 Cb 0.13 0.78 -0.17 0.00 -0.26 0.00 0.00 64.21 64.69 3h44 n SER 721 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3h44 s ARG 722 N -3.02 1.19 0.06 4.33 0.52 -1.25 0.08 118.95 120.86 3h44 s ARG 722 Ca -0.05 -0.34 -0.03 0.00 -0.52 0.00 0.00 55.73 54.78 3h44 s ARG 722 Cb 0.09 -1.75 -0.03 0.00 0.52 0.00 0.00 34.95 33.78 3h44 s ARG 722 CO 0.84 -0.41 0.04 -0.51 0.02 0.00 0.00 175.30 175.27 3h44 s LEU 723 N 1.74 2.16 -0.02 2.53 1.43 -1.03 -4.64 118.68 120.85 3h44 s LEU 723 Ca 0.02 -0.86 0.06 0.00 -1.03 0.00 0.00 54.13 52.32 3h44 s LEU 723 Cb -0.14 0.44 -0.01 0.00 0.03 0.00 0.00 46.19 46.50 3h44 s LEU 723 CO -0.07 -0.62 -0.18 -2.28 0.23 0.00 0.00 176.35 173.43 3h44 s HIS 724 N -3.72 1.64 -0.17 0.29 5.65 -1.16 -3.30 115.29 114.52 3h44 s HIS 724 Ca 0.05 -0.32 -0.00 0.00 0.25 0.00 0.00 55.06 55.04 3h44 s HIS 724 Cb 0.06 -1.06 -0.00 0.00 -1.18 0.00 0.00 32.58 30.40 3h44 s HIS 724 CO -0.10 -0.04 -0.14 0.42 -0.65 0.00 0.00 174.74 174.24 3h44 s ILE 725 N -0.40 2.74 -0.12 0.89 1.01 0.28 -0.47 121.20 125.13 3h44 s ILE 725 Ca 0.06 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 3h44 s ILE 725 Cb -0.07 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 3h44 s ILE 725 CO -0.01 0.50 -0.06 -0.70 0.00 0.00 0.00 174.94 174.67 3h44 s GLU 726 N 0.96 3.25 0.03 2.79 2.12 -0.13 -0.88 118.70 126.84 3h44 s GLU 726 Ca -0.02 -0.55 0.04 0.00 0.36 0.00 0.00 54.97 54.79 3h44 s GLU 726 Cb -0.15 -2.74 -0.02 0.00 0.26 0.00 0.00 34.13 31.48 3h44 s GLU 726 CO -0.02 0.42 -0.11 0.00 -0.54 0.00 0.00 175.26 175.01 3h44 s ALA 727 N -0.13 0.87 -0.17 6.30 0.00 -0.90 0.68 121.76 128.41 3h44 s ALA 727 Ca 0.02 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 3h44 s ALA 727 Cb -0.13 -0.11 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 3h44 s ALA 727 CO 0.03 0.14 -0.13 -1.17 0.00 0.00 0.00 175.76 174.62 3h44 s LEU 728 N -1.04 2.56 -0.13 0.00 0.20 0.30 -0.23 118.68 120.34 3h44 s LEU 728 Ca -0.01 -0.46 0.02 0.00 0.69 0.00 0.00 54.13 54.37 3h44 s LEU 728 Cb -0.07 -1.60 0.01 0.00 -0.43 0.00 0.00 46.19 44.10 3h44 s LEU 728 CO 0.01 0.05 -0.21 -0.76 -0.29 0.00 0.00 176.35 175.15 3h44 s LEU 729 N 1.00 2.05 -0.18 -0.68 1.43 0.58 -0.49 118.68 122.39 3h44 s LEU 729 Ca -0.01 -0.57 -0.07 0.00 -1.03 0.00 0.00 54.13 52.44 3h44 s LEU 729 Cb -0.15 -1.39 0.08 0.00 0.03 0.00 0.00 46.19 44.77 3h44 s LEU 729 CO -0.02 0.07 0.38 -2.28 0.23 0.00 0.00 176.35 174.73 3h44 s HIS 730 N 0.83 -0.70 -4.82 0.29 2.46 -0.74 -1.88 115.29 110.73 3h44 s HIS 730 Ca -0.07 1.38 0.00 0.00 0.47 0.00 0.00 55.06 56.84 3h44 s HIS 730 Cb -0.15 0.23 0.00 0.00 -0.13 0.00 0.00 32.58 32.52 3h44 s HIS 730 CO -0.02 -0.44 0.00 0.41 -2.47 0.00 0.00 174.74 172.22 3h44 n GLY 731 N 5.28 -0.04 2.82 1.59 0.00 -1.07 -0.98 105.19 112.79 3h44 n GLY 731 Ca -0.09 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 3h44 n GLY 731 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3h44 n ASN 732 N 0.00 4.27 -3.78 1.61 5.15 -0.52 -0.38 115.26 121.60 3h44 n ASN 732 Ca 0.00 -2.92 -0.12 0.00 -0.60 0.00 0.00 54.58 50.94 3h44 n ASN 732 Cb 0.00 -1.61 -0.08 0.00 -0.53 0.00 0.00 39.78 37.55 3h44 n ASN 732 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3h44 s ILE 733 N 2.47 0.07 0.47 -1.44 -4.36 -1.26 -4.88 121.20 112.28 3h44 s ILE 733 Ca 0.45 -0.60 -0.02 0.00 -0.26 0.00 0.00 60.65 60.22 3h44 s ILE 733 Cb 0.12 -0.72 -0.01 0.00 1.25 0.00 0.00 42.46 43.10 3h44 s ILE 733 CO -0.06 -0.33 0.72 0.42 0.24 0.00 0.00 174.94 175.93 3h44 s THR 734 N -1.82 4.18 0.26 8.37 -4.23 -1.26 -4.53 115.64 116.61 3h44 s THR 734 Ca -0.10 -0.30 -0.03 0.00 -1.18 0.00 0.00 61.69 60.08 3h44 s THR 734 Cb -0.04 -3.57 0.26 0.00 1.34 0.00 0.00 72.50 70.49 3h44 s THR 734 CO 0.01 -0.46 1.67 0.50 -0.54 0.00 0.00 174.62 175.81 3h44 h LYS 735 N 0.30 0.25 -0.12 3.99 3.64 -1.99 0.20 116.57 122.84 3h44 h LYS 735 Ca -0.46 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 58.69 3h44 h LYS 735 Cb 1.24 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 33.01 3h44 h LYS 735 CO 0.59 0.16 -0.78 -0.56 -2.27 0.00 0.00 179.45 176.59 3h44 h GLN 736 N 0.26 0.66 -0.46 1.90 3.07 -1.99 -1.25 115.11 117.29 3h44 h GLN 736 Ca 0.46 -0.55 0.01 0.00 0.09 0.00 0.00 58.65 58.65 3h44 h GLN 736 Cb 0.82 0.12 -0.03 0.00 0.08 0.00 0.00 27.48 28.47 3h44 h GLN 736 CO -0.56 1.17 0.29 0.00 0.09 0.00 0.00 178.83 179.83 3h44 h ALA 737 N 0.67 0.59 0.51 0.06 0.00 -1.62 -1.44 119.26 118.02 3h44 h ALA 737 Ca -0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3h44 h ALA 737 Cb 1.40 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3h44 h ALA 737 CO 0.15 0.01 -0.27 0.00 0.00 0.00 0.00 179.25 179.14 3h44 h ALA 738 N 1.19 -0.72 -0.90 0.00 0.00 -0.40 -1.58 119.26 116.84 3h44 h ALA 738 Ca 0.18 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 55.08 3h44 h ALA 738 Cb -0.03 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 17.98 3h44 h ALA 738 CO -0.06 -0.91 0.51 -0.07 0.00 0.00 0.00 179.25 178.72 3h44 h LEU 739 N -0.72 0.66 -0.29 0.00 3.38 -1.17 0.13 115.31 117.30 3h44 h LEU 739 Ca -0.06 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3h44 h LEU 739 Cb 0.57 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3h44 h LEU 739 CO 0.09 0.29 0.17 1.23 0.09 0.00 0.00 178.44 180.31 3h44 h GLY 740 N 0.72 0.43 0.98 0.83 0.00 -0.93 0.12 103.07 105.22 3h44 h GLY 740 Ca 0.49 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.64 3h44 h GLY 740 CO -0.34 0.18 0.15 -2.22 0.00 0.00 0.00 176.54 174.30 3h44 h ILE 741 N 0.36 1.04 -0.17 2.60 2.04 -0.22 0.46 117.51 123.63 3h44 h ILE 741 Ca 0.10 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3h44 h ILE 741 Cb 0.03 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3h44 h ILE 741 CO -0.02 0.05 0.11 -0.03 0.00 0.00 0.00 178.15 178.26 3h44 h MET 742 N 0.30 0.23 -0.14 2.37 4.05 -0.63 -1.65 114.93 119.47 3h44 h MET 742 Ca 0.09 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.43 3h44 h MET 742 Cb -0.02 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.72 3h44 h MET 742 CO -0.03 0.17 -0.17 0.37 0.23 0.00 0.00 176.91 177.49 3h44 h GLN 743 N 0.21 0.22 -0.26 0.39 5.75 -0.29 -2.10 115.11 119.04 3h44 h GLN 743 Ca 0.06 -0.06 -0.13 0.00 -0.15 0.00 0.00 58.65 58.38 3h44 h GLN 743 Cb 0.00 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 3h44 h GLN 743 CO -0.01 0.39 -0.37 1.98 -2.65 0.00 0.00 178.83 178.17 3h44 h MET 744 N 0.21 0.58 0.47 1.69 4.05 0.44 -0.64 114.93 121.73 3h44 h MET 744 Ca 0.04 -0.28 -0.02 0.00 -0.28 0.00 0.00 59.70 59.15 3h44 h MET 744 Cb 0.43 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 3h44 h MET 744 CO 0.03 0.87 -0.23 0.28 0.23 0.00 0.00 176.91 178.09 3h44 h VAL 745 N 0.49 0.53 -0.20 -5.77 2.07 -0.64 -1.87 116.25 110.87 3h44 h VAL 745 Ca 0.05 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.48 3h44 h VAL 745 Cb 0.87 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 3h44 h VAL 745 CO 0.07 0.03 -0.26 -0.33 0.02 0.00 0.00 177.57 177.10 3h44 h GLU 746 N -0.72 -0.29 -0.99 1.57 5.08 -1.39 -1.86 114.58 115.99 3h44 h GLU 746 Ca -0.06 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.39 3h44 h GLU 746 Cb 0.53 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.77 3h44 h GLU 746 CO 0.11 -0.19 0.64 -0.44 -1.00 0.00 0.00 179.01 178.12 3h44 h ASP 747 N -0.30 1.00 -0.41 1.42 3.45 -1.09 -0.59 116.42 119.90 3h44 h ASP 747 Ca 0.12 0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.53 3h44 h ASP 747 Cb 0.48 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 39.04 3h44 h ASP 747 CO -0.37 0.62 0.01 0.74 -1.57 0.00 0.00 179.24 178.68 3h44 h THR 748 N 1.12 1.24 0.33 0.35 2.02 -0.62 -0.19 112.91 117.17 3h44 h THR 748 Ca 0.44 -0.98 -0.02 0.00 0.77 0.00 0.00 66.41 66.62 3h44 h THR 748 Cb 0.23 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3h44 h THR 748 CO -0.18 0.35 -0.16 -0.07 0.37 0.00 0.00 175.52 175.83 3h44 h LEU 749 N 0.75 -0.37 -0.64 2.58 3.38 -0.50 -2.90 115.31 117.61 3h44 h LEU 749 Ca 0.15 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.19 3h44 h LEU 749 Cb 0.43 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.20 3h44 h LEU 749 CO 0.02 -0.09 -0.38 -0.38 0.09 0.00 0.00 178.44 177.70 3h44 n ILE 750 N -4.19 -0.43 0.25 1.22 5.41 -0.34 0.70 119.36 121.99 3h44 n ILE 750 Ca -0.05 1.75 0.15 0.00 1.00 0.00 0.00 62.75 65.60 3h44 n ILE 750 Cb 0.17 -2.19 0.79 0.00 -0.71 0.00 0.00 39.64 37.71 3h44 n ILE 750 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3h44 h GLU 751 N 0.00 0.00 0.00 0.38 4.81 -1.11 -0.54 114.58 118.12 3h44 h GLU 751 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3h44 h GLU 751 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3h44 h GLU 751 CO -0.60 0.00 -0.25 0.72 -0.73 0.00 0.00 179.01 178.15 3h44 n HIS 752 N -2.58 0.00 -0.52 0.92 8.25 -0.20 -4.76 115.22 116.33 3h44 n HIS 752 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3h44 n HIS 752 Cb 0.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.20 3h44 n HIS 752 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h44 n ALA 753 N -0.85 0.46 -2.07 -1.41 0.00 0.22 -4.69 120.51 112.18 3h44 n ALA 753 Ca 0.00 -0.06 -0.18 0.00 0.00 0.00 0.00 53.44 53.20 3h44 n ALA 753 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3h44 n ALA 753 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3h44 n HIS 754 N -0.07 -0.57 -1.66 0.00 -0.00 -0.21 -4.53 115.22 108.18 3h44 n HIS 754 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 57.72 57.27 3h44 n HIS 754 Cb 0.13 -3.39 -0.03 0.00 -0.00 0.00 0.00 29.99 26.70 3h44 n HIS 754 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 3h44 n THR 755 N -3.51 0.85 -4.37 1.59 -1.04 -1.25 -4.90 114.28 101.65 3h44 n THR 755 Ca -0.20 -0.21 -0.20 0.00 -2.04 0.00 0.00 64.05 61.39 3h44 n THR 755 Cb 0.64 -1.39 -0.10 0.00 -1.82 0.00 0.00 70.33 67.66 3h44 n THR 755 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 3h44 s LYS 756 N -0.29 1.41 0.25 -2.82 0.00 0.11 -4.52 119.74 113.89 3h44 s LYS 756 Ca 0.70 -1.62 -0.04 0.00 0.00 0.00 0.00 55.97 55.01 3h44 s LYS 756 Cb -0.68 -1.29 0.06 0.00 0.00 0.00 0.00 37.83 35.91 3h44 s LYS 756 CO 0.49 0.23 0.13 -2.30 0.00 0.00 0.00 175.35 173.90 3h44 n PRO 757 N -0.40 -1.19 -4.42 1.78 -0.02 -1.26 -2.47 135.00 127.03 3h44 n PRO 757 Ca -0.08 -0.22 -0.19 0.00 -2.02 0.00 0.00 63.50 60.99 3h44 n PRO 757 Cb 0.60 -0.35 -0.15 0.00 -0.02 0.00 0.00 33.50 33.58 3h44 n PRO 757 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3h44 s LEU 758 N 0.00 2.02 0.57 2.45 1.02 -1.21 -4.01 118.68 119.52 3h44 s LEU 758 Ca 0.10 -0.18 -0.20 0.00 0.02 0.00 0.00 54.13 53.87 3h44 s LEU 758 Cb -0.02 -0.51 -0.04 0.00 0.02 0.00 0.00 46.19 45.64 3h44 s LEU 758 CO 0.08 0.12 1.24 0.18 0.02 0.00 0.00 176.35 177.99 3h44 n LEU 759 N 2.84 5.05 -0.31 1.79 7.99 -1.26 -4.90 117.00 128.20 3h44 n LEU 759 Ca -0.14 0.91 0.04 0.00 -0.01 0.00 0.00 56.01 56.81 3h44 n LEU 759 Cb 0.57 -1.52 0.18 0.00 -0.11 0.00 0.00 43.42 42.54 3h44 n LEU 759 CO 0.25 -1.01 1.17 -0.65 -1.51 0.00 0.00 177.39 175.64 3h44 h PRO 760 N 1.04 0.84 0.00 3.23 0.11 -1.99 -1.74 132.00 133.49 3h44 h PRO 760 Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3h44 h PRO 760 Cb 1.33 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3h44 h PRO 760 CO 0.55 0.55 0.00 0.66 -0.21 0.00 0.00 178.00 179.55 3h44 h SER 761 N 0.86 0.00 1.25 -2.05 4.64 -2.05 -1.86 113.55 114.34 3h44 h SER 761 Ca 0.42 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.68 3h44 h SER 761 Cb 0.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 3h44 h SER 761 CO -0.24 0.00 -0.27 1.56 -0.87 0.00 0.00 176.83 177.01 3h44 h GLN 762 N 0.00 0.00 -5.41 4.77 4.20 -1.66 -3.39 115.11 113.61 3h44 h GLN 762 Ca 0.00 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.48 3h44 h GLN 762 Cb 0.42 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 3h44 h GLN 762 CO 0.00 0.27 0.70 -0.51 -0.67 0.00 0.00 178.83 178.62 3h44 s LEU 763 N -6.58 2.88 -0.57 1.46 1.43 -0.70 -4.86 118.68 111.75 3h44 s LEU 763 Ca 0.03 -1.24 -0.18 0.00 -1.03 0.00 0.00 54.13 51.71 3h44 s LEU 763 Cb 0.09 -2.58 0.10 0.00 0.03 0.00 0.00 46.19 43.82 3h44 s LEU 763 CO 0.67 -3.51 0.65 0.68 0.23 0.00 0.00 176.35 175.07 3h44 s VAL 764 N 12.63 4.91 0.33 -1.59 -7.23 -1.26 -5.06 120.40 123.13 3h44 s VAL 764 Ca 0.73 -1.05 -0.26 0.00 -1.81 0.00 0.00 61.98 59.60 3h44 s VAL 764 Cb -0.03 -4.43 -0.10 0.00 0.56 0.00 0.00 36.38 32.37 3h44 s VAL 764 CO 0.12 -1.03 0.97 -0.13 -0.31 0.00 0.00 175.10 174.71 3h44 s ARG 765 N 2.44 4.53 0.24 4.82 1.81 -1.26 -5.07 118.95 126.47 3h44 s ARG 765 Ca 0.10 1.38 -0.13 0.00 -1.72 0.00 0.00 55.73 55.35 3h44 s ARG 765 Cb -0.25 -2.79 -0.08 0.00 -0.45 0.00 0.00 34.95 31.39 3h44 s ARG 765 CO 0.06 0.22 0.62 0.71 -0.68 0.00 0.00 175.30 176.24 3h44 s TYR 766 N -1.60 3.46 0.23 -0.53 1.51 -1.26 -5.08 117.35 114.09 3h44 s TYR 766 Ca 0.51 1.07 0.06 0.00 -1.01 0.00 0.00 57.07 57.69 3h44 s TYR 766 Cb -0.20 -2.40 -0.04 0.00 -0.11 0.00 0.00 41.96 39.22 3h44 s TYR 766 CO 0.25 0.25 0.22 1.03 -1.11 0.00 0.00 175.55 176.19 3h44 s ARG 767 N -2.62 3.04 0.17 -0.62 0.52 -1.26 -4.85 118.95 113.33 3h44 s ARG 767 Ca 0.47 -0.94 -0.16 0.00 -0.52 0.00 0.00 55.73 54.58 3h44 s ARG 767 Cb -0.12 -2.66 -0.07 0.00 0.52 0.00 0.00 34.95 32.62 3h44 s ARG 767 CO 0.20 0.43 0.60 -2.00 0.02 0.00 0.00 175.30 174.54 3h44 s GLU 768 N -3.68 4.04 0.51 3.54 2.12 -1.26 -1.98 118.70 121.99 3h44 s GLU 768 Ca 0.33 0.59 -0.23 0.00 0.36 0.00 0.00 54.97 56.02 3h44 s GLU 768 Cb -0.09 -2.90 -0.07 0.00 0.26 0.00 0.00 34.13 31.34 3h44 s GLU 768 CO 0.25 0.44 1.28 0.28 -0.54 0.00 0.00 175.26 176.98 3h44 n VAL 769 N 0.73 3.38 -3.67 3.70 0.31 -0.89 -1.68 118.33 120.22 3h44 n VAL 769 Ca -0.04 -0.50 -0.39 0.00 -0.01 0.00 0.00 64.34 63.40 3h44 n VAL 769 Cb 0.52 -1.57 -0.11 0.00 -0.91 0.00 0.00 33.84 31.76 3h44 n VAL 769 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3h44 s GLN 770 N -2.64 2.62 0.39 5.55 0.74 -0.43 -4.70 119.66 121.19 3h44 s GLN 770 Ca 0.68 -1.29 -0.25 0.00 0.05 0.00 0.00 55.36 54.56 3h44 s GLN 770 Cb -0.45 -3.63 -0.09 0.00 1.10 0.00 0.00 33.01 29.94 3h44 s GLN 770 CO 0.52 -0.80 1.08 -0.51 -0.55 0.00 0.00 175.29 175.04 3h44 s LEU 771 N 1.43 4.18 0.28 3.68 2.01 -1.26 -4.17 118.68 124.82 3h44 s LEU 771 Ca 0.01 2.13 -0.29 0.00 0.01 0.00 0.00 54.13 56.00 3h44 s LEU 771 Cb -0.21 -4.11 -0.09 0.00 0.01 0.00 0.00 46.19 41.79 3h44 s LEU 771 CO 0.03 -0.53 1.05 -2.16 1.01 0.00 0.00 176.35 175.75 3h44 s PRO 772 N -2.38 4.65 0.03 1.29 0.04 -1.26 -4.96 135.00 132.41 3h44 s PRO 772 Ca 0.57 1.68 -0.35 0.00 0.04 0.00 0.00 61.00 62.95 3h44 s PRO 772 Cb -0.25 -3.14 -0.18 0.00 0.04 0.00 0.00 34.50 30.97 3h44 s PRO 772 CO 0.31 0.26 0.89 -0.25 0.04 0.00 0.00 177.00 178.26 3h44 n ASP 773 N 1.13 -0.18 0.00 6.66 10.43 -1.26 -1.58 116.55 131.75 3h44 n ASP 773 Ca -0.01 1.05 0.00 0.00 2.57 0.00 0.00 54.79 58.40 3h44 n ASP 773 Cb 0.46 -0.84 0.00 0.00 1.84 0.00 0.00 41.12 42.58 3h44 n ASP 773 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 3h44 n ARG 774 N 1.29 0.00 -1.70 -1.24 0.63 0.24 -4.90 116.66 110.98 3h44 n ARG 774 Ca 0.18 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.82 3h44 n ARG 774 Cb 0.10 -3.11 0.10 0.00 0.45 0.00 0.00 32.46 29.99 3h44 n ARG 774 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3h44 s GLY 775 N -2.00 1.60 -0.26 5.14 0.00 -0.61 -4.95 107.32 106.24 3h44 s GLY 775 Ca 0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 44.72 44.21 3h44 s GLY 775 CO 0.00 0.02 0.52 0.86 0.00 0.00 0.00 173.10 174.50 3h44 s TRP 776 N -3.35 -1.15 0.16 1.90 -0.00 -1.26 -3.00 118.94 112.25 3h44 s TRP 776 Ca 0.61 1.69 0.08 0.00 -0.00 0.00 0.00 56.10 58.48 3h44 s TRP 776 Cb -0.13 0.46 -0.04 0.00 -0.00 0.00 0.00 33.47 33.76 3h44 s TRP 776 CO 0.52 -0.67 -0.07 -0.06 -0.00 0.00 0.00 176.95 176.67 3h44 s PHE 777 N 2.74 2.70 -0.05 5.86 0.40 -0.28 -1.28 117.98 128.08 3h44 s PHE 777 Ca 0.05 -0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.19 3h44 s PHE 777 Cb -0.13 -1.34 0.02 0.00 0.51 0.00 0.00 43.02 42.08 3h44 s PHE 777 CO -0.17 0.49 -0.02 0.08 0.70 0.00 0.00 175.22 176.30 3h44 s VAL 778 N -1.60 0.38 -0.13 -0.44 1.01 -0.98 -1.48 120.40 117.17 3h44 s VAL 778 Ca 0.25 -0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 3h44 s VAL 778 Cb -0.09 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 3h44 s VAL 778 CO 0.16 0.21 -0.08 -0.47 0.00 0.00 0.00 175.10 174.91 3h44 s TYR 779 N 1.18 2.92 0.01 5.22 5.04 0.08 0.68 117.35 132.48 3h44 s TYR 779 Ca -0.07 -0.38 0.04 0.00 -2.44 0.00 0.00 57.07 54.22 3h44 s TYR 779 Cb -0.14 -1.86 -0.01 0.00 0.35 0.00 0.00 41.96 40.30 3h44 s TYR 779 CO -0.02 -0.04 -0.12 1.14 -1.34 0.00 0.00 175.55 175.17 3h44 s GLN 780 N 0.14 0.93 0.03 4.97 1.03 -1.26 -0.32 119.66 125.18 3h44 s GLN 780 Ca -0.04 -0.56 -0.11 0.00 0.04 0.00 0.00 55.36 54.70 3h44 s GLN 780 Cb -0.14 -0.91 0.01 0.00 0.03 0.00 0.00 33.01 32.00 3h44 s GLN 780 CO 0.04 0.24 0.22 -0.65 -2.54 0.00 0.00 175.29 172.60 3h44 s GLN 781 N -0.64 0.68 -0.04 9.60 -1.52 0.30 -4.97 119.66 123.07 3h44 s GLN 781 Ca 0.03 -0.52 -0.16 0.00 -1.95 0.00 0.00 55.36 52.77 3h44 s GLN 781 Cb -0.06 0.29 -0.05 0.00 -0.22 0.00 0.00 33.01 32.97 3h44 s GLN 781 CO 0.00 -0.20 0.42 0.50 -0.25 0.00 0.00 175.29 175.77 3h44 s ARG 782 N -2.23 4.06 -0.35 2.91 3.52 -1.26 0.47 118.95 126.07 3h44 s ARG 782 Ca -0.08 0.42 -0.20 0.00 -0.13 0.00 0.00 55.73 55.74 3h44 s ARG 782 Cb -0.03 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.08 3h44 s ARG 782 CO -0.02 0.53 0.62 1.21 -0.81 0.00 0.00 175.30 176.83 3h44 s ASN 783 N -0.56 6.41 0.00 -2.12 2.47 -0.16 -4.85 114.94 116.13 3h44 s ASN 783 Ca 0.24 0.12 0.23 0.00 0.42 0.00 0.00 52.86 53.87 3h44 s ASN 783 Cb -0.16 -2.32 1.15 0.00 -1.45 0.00 0.00 41.25 38.47 3h44 s ASN 783 CO 0.12 -0.57 1.77 -1.84 -3.72 0.00 0.00 177.10 172.86 3h44 n GLU 784 N 5.99 1.31 -0.01 0.43 0.28 -1.26 -3.08 120.64 124.30 3h44 n GLU 784 Ca -0.02 -0.46 -0.05 0.00 -0.16 0.00 0.00 57.16 56.47 3h44 n GLU 784 Cb 0.49 -1.39 -0.02 0.00 1.43 0.00 0.00 31.44 31.95 3h44 n GLU 784 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3h44 n VAL 785 N -0.36 0.60 -3.18 3.84 0.31 -1.26 -4.91 118.33 113.36 3h44 n VAL 785 Ca 0.17 0.05 -0.38 0.00 -0.01 0.00 0.00 64.34 64.17 3h44 n VAL 785 Cb 0.19 -1.62 -0.06 0.00 -0.91 0.00 0.00 33.84 31.44 3h44 n VAL 785 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3h44 s HIS 786 N -2.12 3.82 -0.82 3.52 3.76 -1.26 -4.89 115.29 117.29 3h44 s HIS 786 Ca -0.07 1.38 -0.02 0.00 -0.15 0.00 0.00 55.06 56.19 3h44 s HIS 786 Cb 0.02 -2.58 0.36 0.00 1.11 0.00 0.00 32.58 31.50 3h44 s HIS 786 CO 0.09 0.54 2.04 -1.71 -0.85 0.00 0.00 174.74 174.85 3h44 n ASN 787 N 1.56 7.55 -4.32 1.40 5.15 -1.26 -1.27 115.26 124.07 3h44 n ASN 787 Ca -0.08 -3.83 -0.20 0.00 -0.60 0.00 0.00 54.58 49.87 3h44 n ASN 787 Cb 0.50 -1.06 -0.10 0.00 -0.53 0.00 0.00 39.78 38.59 3h44 n ASN 787 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3h44 s ASN 788 N -1.16 1.96 0.26 1.20 2.47 -1.26 -4.77 114.94 113.64 3h44 s ASN 788 Ca 0.54 -1.44 0.11 0.00 0.42 0.00 0.00 52.86 52.49 3h44 s ASN 788 Cb 0.45 0.13 -0.05 0.00 -1.45 0.00 0.00 41.25 40.33 3h44 s ASN 788 CO -0.37 -0.72 -0.20 -0.94 -3.72 0.00 0.00 177.10 171.15 3h44 s SER 789 N -3.44 3.43 0.14 -4.21 1.04 0.82 -3.02 113.70 108.46 3h44 s SER 789 Ca 0.35 -1.00 0.09 0.00 0.48 0.00 0.00 55.95 55.87 3h44 s SER 789 Cb 0.07 -0.27 -0.04 0.00 0.10 0.00 0.00 66.02 65.88 3h44 s SER 789 CO 0.15 0.03 -0.21 -0.83 0.98 0.00 0.00 173.24 173.35 3h44 s GLY 790 N -3.35 1.41 -0.09 7.32 0.00 0.98 -1.14 107.32 112.45 3h44 s GLY 790 Ca 0.27 -1.42 -0.06 0.00 0.00 0.00 0.00 44.72 43.51 3h44 s GLY 790 CO 0.13 -1.44 0.23 -1.50 0.00 0.00 0.00 173.10 170.52 3h44 s ILE 791 N -1.53 -0.02 -0.12 0.90 2.07 -0.29 -0.59 121.20 121.63 3h44 s ILE 791 Ca 0.13 0.08 0.03 0.00 -1.41 0.00 0.00 60.65 59.47 3h44 s ILE 791 Cb -0.08 -0.34 0.00 0.00 0.13 0.00 0.00 42.46 42.17 3h44 s ILE 791 CO 0.06 0.03 -0.22 -0.70 -1.91 0.00 0.00 174.94 172.20 3h44 s GLU 792 N 0.69 3.09 -0.15 3.50 2.12 -1.03 -2.13 118.70 124.80 3h44 s GLU 792 Ca -0.05 -0.84 -0.02 0.00 0.36 0.00 0.00 54.97 54.42 3h44 s GLU 792 Cb -0.06 -2.39 -0.02 0.00 0.26 0.00 0.00 34.13 31.92 3h44 s GLU 792 CO -0.04 0.13 -0.08 0.42 -0.54 0.00 0.00 175.26 175.14 3h44 s ILE 793 N 0.49 3.44 -0.19 -3.70 1.01 -0.72 -1.18 121.20 120.34 3h44 s ILE 793 Ca -0.14 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.00 3h44 s ILE 793 Cb -0.17 -2.48 0.03 0.00 0.01 0.00 0.00 42.46 39.85 3h44 s ILE 793 CO 0.05 0.50 -0.17 -0.47 0.00 0.00 0.00 174.94 174.85 3h44 s TYR 794 N 0.42 2.73 -0.61 3.97 5.04 0.86 -1.16 117.35 128.59 3h44 s TYR 794 Ca -0.07 -1.66 -0.14 0.00 -2.44 0.00 0.00 57.07 52.75 3h44 s TYR 794 Cb -0.15 -1.86 0.15 0.00 0.35 0.00 0.00 41.96 40.46 3h44 s TYR 794 CO 0.04 -0.79 0.55 0.71 -1.34 0.00 0.00 175.55 174.72 3h44 s TYR 795 N 1.30 3.42 0.01 4.97 1.51 0.96 -1.20 117.35 128.31 3h44 s TYR 795 Ca 0.03 -1.61 -0.30 0.00 -1.01 0.00 0.00 57.07 54.18 3h44 s TYR 795 Cb -0.14 -3.75 -0.06 0.00 -0.11 0.00 0.00 41.96 37.91 3h44 s TYR 795 CO -0.11 -1.00 1.43 -1.14 -1.11 0.00 0.00 175.55 173.61 3h44 s GLN 796 N 1.12 4.27 0.00 -0.62 0.74 -0.04 -1.13 119.66 124.01 3h44 s GLN 796 Ca 0.08 2.01 0.00 0.00 0.05 0.00 0.00 55.36 57.50 3h44 s GLN 796 Cb -0.24 -3.58 0.00 0.00 1.10 0.00 0.00 33.01 30.29 3h44 s GLN 796 CO -0.01 -0.60 0.00 0.25 -0.55 0.00 0.00 175.29 174.38 3h44 n THR 797 N 4.68 0.00 -3.54 -0.34 -2.24 -0.22 -4.21 114.28 108.40 3h44 n THR 797 Ca 0.13 0.30 -0.07 0.00 -2.27 0.00 0.00 64.05 62.14 3h44 n THR 797 Cb 0.43 -1.11 -0.02 0.00 -2.10 0.00 0.00 70.33 67.53 3h44 n THR 797 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3h44 s ASP 798 N -2.52 -0.29 0.98 3.42 -1.08 -1.26 -5.04 116.67 110.89 3h44 s ASP 798 Ca 0.00 0.03 -0.13 0.00 -0.52 0.00 0.00 52.55 51.93 3h44 s ASP 798 Cb 0.00 0.30 0.08 0.00 -1.46 0.00 0.00 42.92 41.84 3h44 s ASP 798 CO 0.00 -0.46 0.53 1.15 0.52 0.00 0.00 175.17 176.91 3h44 n MET 799 N -0.10 -0.65 -2.07 4.34 0.00 -1.26 -3.86 117.12 113.52 3h44 n MET 799 Ca -0.06 -0.15 -0.35 0.00 0.00 0.00 0.00 57.70 57.15 3h44 n MET 799 Cb 0.60 -1.96 0.02 0.00 0.00 0.00 0.00 33.22 31.89 3h44 n MET 799 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 3h44 s GLN 800 N -3.86 3.10 0.00 3.17 -0.21 -0.31 -4.79 119.66 116.77 3h44 s GLN 800 Ca 0.59 1.62 0.00 0.00 0.02 0.00 0.00 55.36 57.59 3h44 s GLN 800 Cb -0.20 -1.97 0.00 0.00 1.00 0.00 0.00 33.01 31.84 3h44 s GLN 800 CO 0.65 -1.05 0.00 -1.13 -2.12 0.00 0.00 175.29 171.64 3h44 n SER 801 N -1.66 0.00 -0.39 5.90 3.41 -1.26 -4.96 113.62 114.67 3h44 n SER 801 Ca 0.12 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.71 3h44 n SER 801 Cb 0.51 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.48 3h44 n SER 801 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3h44 h THR 802 N 0.59 0.00 -0.03 6.66 2.02 -1.99 0.16 112.91 120.31 3h44 h THR 802 Ca 0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 3h44 h THR 802 Cb 0.00 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 66.42 3h44 h THR 802 CO 0.00 0.00 -0.33 0.77 0.37 0.00 0.00 175.52 176.33 3h44 h SER 803 N -0.00 0.34 0.22 4.18 4.64 -1.98 -2.77 113.55 118.18 3h44 h SER 803 Ca 0.33 -0.72 -0.04 0.00 -0.47 0.00 0.00 61.79 60.89 3h44 h SER 803 Cb 0.58 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 3h44 h SER 803 CO -0.99 1.01 -0.21 -0.08 -0.87 0.00 0.00 176.83 175.69 3h44 h GLU 804 N -0.30 0.00 0.96 4.77 4.57 -1.75 -1.18 114.58 121.66 3h44 h GLU 804 Ca -0.03 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.10 3h44 h GLU 804 Cb 1.03 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.63 3h44 h GLU 804 CO 0.07 0.21 -0.47 -0.91 -1.18 0.00 0.00 179.01 176.73 3h44 h ASN 805 N 0.00 -1.11 -0.17 1.04 -0.26 -0.66 -2.95 115.58 111.48 3h44 h ASN 805 Ca -0.00 0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 55.76 3h44 h ASN 805 Cb 0.37 0.29 -0.01 0.00 -1.06 0.00 0.00 38.32 37.91 3h44 h ASN 805 CO 0.03 -0.79 0.06 0.24 -1.06 0.00 0.00 177.43 175.91 3h44 h MET 806 N -1.30 0.32 -0.19 0.81 2.86 -1.29 -0.49 114.93 115.65 3h44 h MET 806 Ca -0.13 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.51 3h44 h MET 806 Cb 1.00 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.56 3h44 h MET 806 CO 0.21 0.29 -0.02 0.74 1.06 0.00 0.00 176.91 179.19 3h44 h PHE 807 N 0.32 -0.06 -0.14 -0.22 0.04 -1.22 -1.56 116.94 114.10 3h44 h PHE 807 Ca 0.08 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 3h44 h PHE 807 Cb 0.11 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 3h44 h PHE 807 CO 0.00 -0.06 0.02 1.25 -0.60 0.00 0.00 178.31 178.93 3h44 h LEU 808 N 0.03 0.23 -0.56 1.54 5.85 -1.27 -2.50 115.31 118.63 3h44 h LEU 808 Ca 0.09 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 3h44 h LEU 808 Cb 0.13 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3h44 h LEU 808 CO -0.17 0.44 0.29 -0.33 -0.34 0.00 0.00 178.44 178.33 3h44 h GLU 809 N 0.01 0.79 -0.52 1.25 5.08 -1.02 0.08 114.58 120.25 3h44 h GLU 809 Ca 0.04 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 3h44 h GLU 809 Cb 0.31 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3h44 h GLU 809 CO 0.00 0.63 -0.15 1.25 -1.00 0.00 0.00 179.01 179.75 3h44 h LEU 810 N 0.76 1.01 -0.53 1.33 6.46 -1.30 0.16 115.31 123.19 3h44 h LEU 810 Ca 0.20 -0.35 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 3h44 h LEU 810 Cb 0.08 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 39.71 3h44 h LEU 810 CO -0.03 1.14 0.34 0.15 -0.62 0.00 0.00 178.44 179.42 3h44 h PHE 811 N 0.88 0.68 -0.79 1.25 3.04 -1.16 -1.03 116.94 119.82 3h44 h PHE 811 Ca 0.13 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.04 3h44 h PHE 811 Cb 0.71 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 38.96 3h44 h PHE 811 CO 0.05 0.45 0.31 0.00 -2.02 0.00 0.00 178.31 177.10 3h44 h ALA 812 N 1.18 1.02 -0.19 2.41 0.00 -0.24 -1.69 119.26 121.75 3h44 h ALA 812 Ca 0.19 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h44 h ALA 812 Cb -0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3h44 h ALA 812 CO -0.04 0.65 0.11 0.37 0.00 0.00 0.00 179.25 180.34 3h44 h GLN 813 N 1.14 0.26 -0.72 0.00 5.75 -0.43 -0.91 115.11 120.21 3h44 h GLN 813 Ca 0.26 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.73 3h44 h GLN 813 Cb 0.22 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.68 3h44 h GLN 813 CO -0.02 0.22 0.44 0.82 -2.65 0.00 0.00 178.83 177.64 3h44 h ILE 814 N 0.22 1.20 -0.20 2.39 2.04 -0.59 -2.91 117.51 119.66 3h44 h ILE 814 Ca 0.07 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3h44 h ILE 814 Cb 0.03 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 3h44 h ILE 814 CO -0.01 0.20 0.00 2.30 0.00 0.00 0.00 178.15 180.64 3h44 n ILE 815 N -4.40 0.28 0.34 -0.67 -5.35 -0.69 -4.56 119.36 104.31 3h44 n ILE 815 Ca 0.07 -0.64 -0.15 0.00 -0.27 0.00 0.00 62.75 61.77 3h44 n ILE 815 Cb 0.06 1.17 -0.07 0.00 -1.74 0.00 0.00 39.64 39.06 3h44 n ILE 815 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 3h44 h SER 816 N 3.96 -0.87 -0.01 7.28 0.87 -0.95 -1.14 113.55 122.69 3h44 h SER 816 Ca 0.00 0.04 -0.23 0.00 -1.23 0.00 0.00 61.79 60.37 3h44 h SER 816 Cb 0.88 0.24 0.01 0.00 -0.44 0.00 0.00 62.40 63.09 3h44 h SER 816 CO 0.00 -0.56 -0.88 1.05 -0.53 0.00 0.00 176.83 175.91 3h44 h GLU 817 N -0.91 0.69 -0.98 2.24 -0.00 -1.82 -3.05 114.58 110.74 3h44 h GLU 817 Ca -0.09 -0.63 0.20 0.00 -0.00 0.00 0.00 59.36 58.84 3h44 h GLU 817 Cb 0.72 0.15 -0.09 0.00 -0.00 0.00 0.00 28.75 29.53 3h44 h GLU 817 CO 0.11 1.23 0.62 -1.35 -0.00 0.00 0.00 179.01 179.62 3h44 h PRO 818 N 0.44 0.62 0.09 1.06 0.11 -1.80 0.18 132.00 132.69 3h44 h PRO 818 Ca -0.08 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.99 3h44 h PRO 818 Cb 1.51 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.48 3h44 h PRO 818 CO 0.17 0.41 -0.04 0.00 -0.21 0.00 0.00 178.00 178.33 3h44 h ALA 819 N 1.63 -0.12 0.33 -0.75 0.00 -1.17 0.29 119.26 119.47 3h44 h ALA 819 Ca 0.55 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3h44 h ALA 819 Cb 1.02 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3h44 h ALA 819 CO -0.32 -0.45 -0.40 0.35 0.00 0.00 0.00 179.25 178.43 3h44 h PHE 820 N -0.34 -1.11 -0.46 0.00 3.57 -1.35 0.35 116.94 117.59 3h44 h PHE 820 Ca -0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3h44 h PHE 820 Cb 0.29 0.44 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 3h44 h PHE 820 CO 0.00 -0.54 0.29 -0.97 -2.23 0.00 0.00 178.31 174.86 3h44 h ASN 821 N -0.77 0.54 0.06 0.41 -0.73 -0.57 0.19 115.58 114.69 3h44 h ASN 821 Ca -0.02 -0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.13 3h44 h ASN 821 Cb 0.72 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.17 3h44 h ASN 821 CO -0.11 0.40 -0.03 0.74 -0.37 0.00 0.00 177.43 178.06 3h44 h THR 822 N 0.63 0.94 0.00 -3.57 2.02 -0.17 0.23 112.91 112.98 3h44 h THR 822 Ca 0.17 -1.52 -0.16 0.00 0.77 0.00 0.00 66.41 65.67 3h44 h THR 822 Cb -0.04 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 3h44 h THR 822 CO -0.03 0.29 -0.74 -0.07 0.37 0.00 0.00 175.52 175.34 3h44 h LEU 823 N -0.95 0.00 0.00 2.58 -0.00 -0.23 0.80 115.31 117.52 3h44 h LEU 823 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 3h44 h LEU 823 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 3h44 h LEU 823 CO 0.01 0.74 -0.27 -1.14 -0.00 0.00 0.00 178.44 177.78 3h44 n ARG 824 N -3.64 0.15 0.38 1.13 0.63 0.62 -1.36 116.66 114.58 3h44 n ARG 824 Ca -0.01 0.06 -0.18 0.00 -0.92 0.00 0.00 57.85 56.80 3h44 n ARG 824 Cb 0.72 -0.72 -0.09 0.00 0.45 0.00 0.00 32.46 32.82 3h44 n ARG 824 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 3h44 h THR 825 N -0.27 0.28 0.10 5.15 2.02 -1.19 0.81 112.91 119.81 3h44 h THR 825 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3h44 h THR 825 Cb 0.27 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3h44 h THR 825 CO 0.00 0.00 -0.05 0.11 0.37 0.00 0.00 175.52 175.95 3h44 h LYS 826 N -0.96 -0.12 0.00 6.66 1.57 -0.63 -3.37 116.57 119.71 3h44 h LYS 826 Ca -0.09 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3h44 h LYS 826 Cb 0.75 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.08 3h44 h LYS 826 CO 0.14 -0.08 0.00 0.39 -0.57 0.00 0.00 179.45 179.33 3h44 n GLU 827 N -2.62 0.11 -4.01 3.15 1.02 0.28 -4.94 120.64 113.63 3h44 n GLU 827 Ca -0.02 0.18 -0.30 0.00 -0.02 0.00 0.00 57.16 57.00 3h44 n GLU 827 Cb 0.05 -1.65 -0.02 0.00 -0.02 0.00 0.00 31.44 29.80 3h44 n GLU 827 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3h44 n GLN 828 N -1.84 -2.13 0.14 3.49 1.13 0.28 -4.87 117.38 113.59 3h44 n GLN 828 Ca 0.05 0.31 0.01 0.00 -1.94 0.00 0.00 57.00 55.43 3h44 n GLN 828 Cb 0.31 -4.03 0.15 0.00 0.11 0.00 0.00 30.24 26.78 3h44 n GLN 828 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3h44 h LEU 829 N -1.93 0.00 0.00 1.08 3.38 -1.40 -3.48 115.31 112.96 3h44 h LEU 829 Ca -0.65 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.32 3h44 h LEU 829 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3h44 h LEU 829 CO 0.61 0.56 0.00 0.61 0.09 0.00 0.00 178.44 180.31 3h44 n GLY 830 N 0.65 -0.26 0.13 0.83 0.00 -1.26 -4.04 105.19 101.24 3h44 n GLY 830 Ca 0.00 -0.99 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 3h44 n GLY 830 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3h44 h TYR 831 N 0.00 0.63 -3.60 1.61 3.20 -1.82 -3.43 116.97 113.57 3h44 h TYR 831 Ca 0.00 -0.46 -0.61 0.00 3.14 0.00 0.00 58.73 60.81 3h44 h TYR 831 Cb 0.00 -0.03 -0.11 0.00 1.54 0.00 0.00 36.73 38.14 3h44 h TYR 831 CO 0.00 1.46 0.50 0.42 -1.64 0.00 0.00 178.16 178.90 3h44 s ILE 832 N -2.49 4.58 -0.17 1.81 1.01 -1.26 -4.99 121.20 119.69 3h44 s ILE 832 Ca -0.14 0.80 -0.05 0.00 0.00 0.00 0.00 60.65 61.26 3h44 s ILE 832 Cb 0.03 -4.35 0.06 0.00 0.01 0.00 0.00 42.46 38.21 3h44 s ILE 832 CO 0.84 -0.68 0.11 -0.69 0.00 0.00 0.00 174.94 174.52 3h44 s VAL 833 N 3.49 -0.12 0.00 2.92 1.01 -1.26 -2.25 120.40 124.19 3h44 s VAL 833 Ca 0.35 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.23 3h44 s VAL 833 Cb -0.11 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 3h44 s VAL 833 CO 0.22 -0.25 -0.13 0.12 0.00 0.00 0.00 175.10 175.06 3h44 s PHE 834 N 2.17 1.15 0.17 5.22 5.36 0.62 -4.84 117.98 127.83 3h44 s PHE 834 Ca 0.03 -0.25 -0.01 0.00 -0.96 0.00 0.00 56.93 55.75 3h44 s PHE 834 Cb -0.16 -0.73 -0.04 0.00 -0.34 0.00 0.00 43.02 41.75 3h44 s PHE 834 CO -0.09 -0.01 0.09 -1.54 -1.46 0.00 0.00 175.22 172.21 3h44 s SER 835 N -0.48 0.36 0.00 6.13 1.04 -1.26 -0.23 113.70 119.26 3h44 s SER 835 Ca 0.04 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.17 3h44 s SER 835 Cb -0.06 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.38 3h44 s SER 835 CO -0.00 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.06 3h44 n GLY 836 N -0.21 0.81 3.77 7.32 0.00 -1.14 -5.00 105.19 110.74 3h44 n GLY 836 Ca -0.02 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 43.86 3h44 n GLY 836 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h44 s PRO 837 N -1.29 3.18 -0.09 1.61 0.02 -1.26 -1.71 135.00 135.46 3h44 s PRO 837 Ca 0.00 1.62 0.02 0.00 0.02 0.00 0.00 61.00 62.66 3h44 s PRO 837 Cb 0.00 -1.98 -0.02 0.00 0.02 0.00 0.00 34.50 32.52 3h44 s PRO 837 CO 0.00 -0.99 -0.13 0.50 -0.33 0.00 0.00 177.00 176.05 3h44 s ARG 838 N -3.42 2.94 -0.19 5.54 3.52 0.98 -4.77 118.95 123.55 3h44 s ARG 838 Ca 0.73 -0.68 -0.05 0.00 -0.13 0.00 0.00 55.73 55.61 3h44 s ARG 838 Cb -0.25 -2.52 0.07 0.00 -1.56 0.00 0.00 34.95 30.69 3h44 s ARG 838 CO 0.31 0.43 0.09 1.03 -0.81 0.00 0.00 175.30 176.35 3h44 s ARG 839 N -0.23 0.17 0.02 5.12 3.00 -1.26 -1.93 118.95 123.84 3h44 s ARG 839 Ca 0.01 -0.20 0.01 0.00 0.00 0.00 0.00 55.73 55.55 3h44 s ARG 839 Cb -0.13 -1.79 -0.02 0.00 0.00 0.00 0.00 34.95 33.02 3h44 s ARG 839 CO 0.03 -0.71 -0.03 0.00 0.00 0.00 0.00 175.30 174.58 3h44 s ALA 840 N 2.09 0.20 -1.49 2.13 0.00 -0.78 -4.91 121.76 119.00 3h44 s ALA 840 Ca 0.03 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.49 3h44 s ALA 840 Cb -0.16 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.06 3h44 s ALA 840 CO -0.13 -0.08 0.28 0.09 0.00 0.00 0.00 175.76 175.92 3h44 n ASN 841 N 1.97 -0.04 0.00 0.00 3.02 -1.26 -0.87 115.26 118.08 3h44 n ASN 841 Ca -0.21 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.22 3h44 n ASN 841 Cb 0.56 -2.43 0.00 0.00 -0.61 0.00 0.00 39.78 37.30 3h44 n ASN 841 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h44 n GLY 842 N -2.16 0.80 3.78 7.41 0.00 -1.26 -4.44 105.19 109.33 3h44 n GLY 842 Ca -0.28 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 3h44 n GLY 842 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h44 s ILE 843 N -2.38 2.52 0.39 -0.61 1.09 -0.05 -1.16 121.20 120.99 3h44 s ILE 843 Ca 0.00 -1.59 -0.10 0.00 -1.10 0.00 0.00 60.65 57.86 3h44 s ILE 843 Cb 0.00 -3.00 0.04 0.00 -1.06 0.00 0.00 42.46 38.44 3h44 s ILE 843 CO 0.00 -0.03 0.69 0.00 -0.10 0.00 0.00 174.94 175.51 3h44 n GLN 844 N -1.32 1.00 0.00 2.79 10.64 -1.25 -1.87 117.38 127.37 3h44 n GLN 844 Ca 0.00 -2.48 0.00 0.00 -1.83 0.00 0.00 57.00 52.69 3h44 n GLN 844 Cb 0.63 2.80 0.00 0.00 -0.86 0.00 0.00 30.24 32.82 3h44 n GLN 844 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3h44 n GLY 845 N -0.56 -1.02 3.83 2.61 0.00 -0.81 -1.06 105.19 108.18 3h44 n GLY 845 Ca -0.06 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 3h44 n GLY 845 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h44 s LEU 846 N 0.00 4.14 0.06 0.99 0.20 -0.28 -0.01 118.68 123.78 3h44 s LEU 846 Ca 0.00 0.30 0.02 0.00 0.69 0.00 0.00 54.13 55.14 3h44 s LEU 846 Cb 0.00 -2.25 -0.03 0.00 -0.43 0.00 0.00 46.19 43.48 3h44 s LEU 846 CO 0.00 0.32 -0.07 0.00 -0.29 0.00 0.00 176.35 176.31 3h44 s ARG 847 N -1.48 0.65 0.01 1.98 1.70 -0.70 -0.03 118.95 121.09 3h44 s ARG 847 Ca 0.21 -1.00 0.08 0.00 -0.47 0.00 0.00 55.73 54.54 3h44 s ARG 847 Cb -0.12 -0.25 -0.02 0.00 -0.57 0.00 0.00 34.95 33.99 3h44 s ARG 847 CO 0.11 0.02 -0.24 -0.06 -1.08 0.00 0.00 175.30 174.05 3h44 s PHE 848 N -2.34 2.10 -0.07 5.89 0.40 -0.31 -2.88 117.98 120.76 3h44 s PHE 848 Ca -0.01 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 3h44 s PHE 848 Cb -0.03 -1.31 0.02 0.00 0.51 0.00 0.00 43.02 42.21 3h44 s PHE 848 CO -0.02 0.02 -0.06 0.42 0.70 0.00 0.00 175.22 176.29 3h44 s ILE 849 N -0.65 0.76 -0.02 0.64 1.01 0.67 -1.76 121.20 121.85 3h44 s ILE 849 Ca 0.09 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.56 3h44 s ILE 849 Cb -0.09 -0.78 0.02 0.00 0.01 0.00 0.00 42.46 41.61 3h44 s ILE 849 CO 0.00 0.30 -0.01 -0.63 0.00 0.00 0.00 174.94 174.60 3h44 s ILE 850 N 1.31 0.24 -0.13 2.92 1.01 -0.90 -0.28 121.20 125.38 3h44 s ILE 850 Ca -0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.60 3h44 s ILE 850 Cb -0.14 -0.29 -0.02 0.00 0.01 0.00 0.00 42.46 42.02 3h44 s ILE 850 CO -0.03 0.13 -0.08 -1.58 0.00 0.00 0.00 174.94 173.38 3h44 s GLN 851 N 0.69 3.35 0.17 2.79 0.74 -0.95 -1.13 119.66 125.32 3h44 s GLN 851 Ca -0.07 -0.60 -0.20 0.00 0.05 0.00 0.00 55.36 54.54 3h44 s GLN 851 Cb -0.10 -2.72 0.05 0.00 1.10 0.00 0.00 33.01 31.33 3h44 s GLN 851 CO -0.01 0.33 0.55 0.45 -0.55 0.00 0.00 175.29 176.05 3h44 s SER 852 N 0.10 -0.40 -0.02 6.67 0.15 -0.29 -4.04 113.70 115.86 3h44 s SER 852 Ca -0.03 -0.23 0.05 0.00 0.70 0.00 0.00 55.95 56.44 3h44 s SER 852 Cb -0.14 0.58 -0.24 0.00 -1.71 0.00 0.00 66.02 64.50 3h44 s SER 852 CO 0.04 -0.99 0.74 -0.08 1.20 0.00 0.00 173.24 174.14 3h44 h GLU 853 N 2.13 0.10 -7.19 5.44 4.81 -1.86 0.23 114.58 118.23 3h44 h GLU 853 Ca -0.32 -0.16 -0.54 0.00 -0.13 0.00 0.00 59.36 58.21 3h44 h GLU 853 Cb 1.28 0.06 0.17 0.00 0.63 0.00 0.00 28.75 30.90 3h44 h GLU 853 CO 0.39 0.81 0.37 0.15 -0.73 0.00 0.00 179.01 179.99 3h44 s LYS 854 N -2.61 1.86 0.43 1.92 1.02 -1.26 -4.70 119.74 116.40 3h44 s LYS 854 Ca -0.08 1.79 -0.22 0.00 0.02 0.00 0.00 55.97 57.48 3h44 s LYS 854 Cb 0.08 -1.80 -0.09 0.00 -0.52 0.00 0.00 37.83 35.50 3h44 s LYS 854 CO 0.82 -2.05 1.01 -1.25 -0.92 0.00 0.00 175.35 172.96 3h44 s PRO 855 N -4.01 4.09 0.32 -1.68 0.04 -1.26 -4.67 135.00 127.82 3h44 s PRO 855 Ca 0.74 1.35 0.09 0.00 0.04 0.00 0.00 61.00 63.22 3h44 s PRO 855 Cb -0.30 -2.32 0.88 0.00 0.04 0.00 0.00 34.50 32.80 3h44 s PRO 855 CO 0.48 -0.18 1.72 -1.00 0.04 0.00 0.00 177.00 178.06 3h44 h PRO 856 N 2.08 0.52 -0.94 0.56 0.13 -1.90 0.91 132.00 133.36 3h44 h PRO 856 Ca -0.49 -0.03 0.12 0.00 -0.87 0.00 0.00 66.00 64.73 3h44 h PRO 856 Cb 1.21 -0.12 -0.08 0.00 0.13 0.00 0.00 31.00 32.13 3h44 h PRO 856 CO 0.61 0.34 0.56 1.12 -0.23 0.00 0.00 178.00 180.41 3h44 h HIS 857 N 0.54 1.02 -0.45 1.56 2.07 -1.99 0.21 115.15 118.10 3h44 h HIS 857 Ca 0.64 0.03 -0.09 0.00 -2.85 0.00 0.00 60.37 58.10 3h44 h HIS 857 Cb 1.23 -0.31 -0.01 0.00 2.57 0.00 0.00 27.41 30.88 3h44 h HIS 857 CO -0.03 0.37 -0.07 -0.92 -3.07 0.00 0.00 177.93 174.22 3h44 h TYR 858 N 0.88 0.93 -0.76 6.12 3.20 -1.20 -2.85 116.97 123.29 3h44 h TYR 858 Ca 0.47 -0.19 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 3h44 h TYR 858 Cb 0.51 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.51 3h44 h TYR 858 CO -0.03 0.92 0.42 -0.07 -1.64 0.00 0.00 178.16 177.76 3h44 h LEU 859 N 0.68 0.95 -0.46 2.82 4.07 -1.01 -2.64 115.31 119.71 3h44 h LEU 859 Ca 0.12 -0.10 0.07 0.00 0.08 0.00 0.00 57.88 58.05 3h44 h LEU 859 Cb 0.60 -0.24 -0.09 0.00 1.08 0.00 0.00 40.66 42.00 3h44 h LEU 859 CO 0.04 0.77 -0.48 -0.33 -1.08 0.00 0.00 178.44 177.36 3h44 h GLU 860 N 1.05 -0.31 -0.37 1.13 4.39 -0.76 -1.30 114.58 118.42 3h44 h GLU 860 Ca 0.27 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.94 3h44 h GLU 860 Cb 0.03 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 3h44 h GLU 860 CO -0.04 -0.21 0.03 0.66 -1.16 0.00 0.00 179.01 178.29 3h44 h SER 861 N -0.32 0.53 0.55 1.42 4.64 -1.39 -1.61 113.55 117.37 3h44 h SER 861 Ca 0.13 -0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 61.22 3h44 h SER 861 Cb 0.58 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 3h44 h SER 861 CO -0.62 0.58 -0.60 0.03 -0.87 0.00 0.00 176.83 175.35 3h44 h ARG 862 N 0.55 0.05 -0.59 4.77 2.47 -1.03 0.27 114.38 120.87 3h44 h ARG 862 Ca 0.12 -0.03 -0.10 0.00 -1.26 0.00 0.00 59.98 58.70 3h44 h ARG 862 Cb 0.31 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.62 3h44 h ARG 862 CO 0.01 0.63 -0.04 0.28 0.56 0.00 0.00 179.97 181.41 3h44 h VAL 863 N 0.04 1.27 -0.27 2.04 2.07 -0.98 -1.06 116.25 119.36 3h44 h VAL 863 Ca -0.01 -1.19 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 3h44 h VAL 863 Cb 1.07 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 3h44 h VAL 863 CO 0.08 0.43 0.00 -0.33 0.02 0.00 0.00 177.57 177.77 3h44 h GLU 864 N 0.95 0.48 0.01 1.57 4.39 -0.75 0.17 114.58 121.39 3h44 h GLU 864 Ca 0.16 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 59.72 3h44 h GLU 864 Cb 0.60 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 3h44 h GLU 864 CO 0.04 0.64 -0.28 0.00 -1.16 0.00 0.00 179.01 178.24 3h44 h ALA 865 N 0.82 -0.74 -1.01 3.43 0.00 -0.53 -2.50 119.26 118.73 3h44 h ALA 865 Ca 0.08 -0.05 0.36 0.00 0.00 0.00 0.00 54.91 55.30 3h44 h ALA 865 Cb 0.42 0.73 -0.16 0.00 0.00 0.00 0.00 17.79 18.79 3h44 h ALA 865 CO 0.01 -0.82 0.57 0.35 0.00 0.00 0.00 179.25 179.36 3h44 h PHE 866 N -0.36 0.89 -0.37 0.00 3.57 -0.91 0.14 116.94 119.91 3h44 h PHE 866 Ca 0.00 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 3h44 h PHE 866 Cb 0.38 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3h44 h PHE 866 CO -0.44 -0.28 -0.04 1.25 -2.23 0.00 0.00 178.31 176.57 3h44 h LEU 867 N 0.21 0.58 0.80 0.59 5.85 -0.22 -1.71 115.31 121.41 3h44 h LEU 867 Ca 0.77 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 59.32 3h44 h LEU 867 Cb 1.88 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 42.77 3h44 h LEU 867 CO -0.66 0.68 -0.38 0.40 -0.34 0.00 0.00 178.44 178.14 3h44 h ILE 868 N 0.57 0.02 -0.79 4.05 5.03 -0.51 -2.74 117.51 123.15 3h44 h ILE 868 Ca 0.11 -0.21 0.28 0.00 -0.12 0.00 0.00 64.86 64.92 3h44 h ILE 868 Cb 0.43 0.02 -0.09 0.00 -3.03 0.00 0.00 36.82 34.15 3h44 h ILE 868 CO 0.02 0.00 0.49 0.41 -0.68 0.00 0.00 178.15 178.39 3h44 n THR 869 N -5.49 -0.17 0.14 -0.27 -1.04 -1.07 -0.41 114.28 105.97 3h44 n THR 869 Ca -0.13 1.12 -0.09 0.00 -2.04 0.00 0.00 64.05 62.91 3h44 n THR 869 Cb 0.42 -1.83 -0.05 0.00 -1.82 0.00 0.00 70.33 67.05 3h44 n THR 869 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 3h44 h MET 870 N 0.00 -0.41 -0.54 -2.82 2.86 -1.06 -2.64 114.93 110.32 3h44 h MET 870 Ca 0.53 0.03 0.08 0.00 -2.06 0.00 0.00 59.70 58.28 3h44 h MET 870 Cb 1.64 0.09 -0.07 0.00 0.06 0.00 0.00 31.60 33.33 3h44 h MET 870 CO -0.32 -0.17 0.17 1.49 1.06 0.00 0.00 176.91 179.14 3h44 h GLU 871 N -1.05 0.33 -0.70 1.72 4.81 -1.00 0.11 114.58 118.79 3h44 h GLU 871 Ca -0.04 -0.02 0.20 0.00 -0.13 0.00 0.00 59.36 59.37 3h44 h GLU 871 Cb 0.43 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 3h44 h GLU 871 CO 0.07 0.22 0.51 -0.22 -0.73 0.00 0.00 179.01 178.86 3h44 h LYS 872 N 0.34 0.00 0.00 1.92 1.63 -0.82 -2.02 116.57 117.62 3h44 h LYS 872 Ca 0.27 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 3h44 h LYS 872 Cb 0.32 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 3h44 h LYS 872 CO -0.29 0.00 -1.08 -1.13 -3.45 0.00 0.00 179.45 173.50 3h44 n SER 873 N -4.31 0.82 0.16 4.20 3.41 -0.45 -3.34 113.62 114.12 3h44 n SER 873 Ca 0.14 -0.76 0.02 0.00 -0.26 0.00 0.00 58.87 58.01 3h44 n SER 873 Cb 0.77 1.17 0.27 0.00 -0.26 0.00 0.00 64.21 66.16 3h44 n SER 873 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3h44 h ILE 874 N 0.00 1.18 0.16 -1.33 1.08 -0.30 -1.97 117.51 116.33 3h44 h ILE 874 Ca 0.00 -1.76 -0.01 0.00 -0.39 0.00 0.00 64.86 62.70 3h44 h ILE 874 Cb 0.53 2.00 0.00 0.00 -3.07 0.00 0.00 36.82 36.28 3h44 h ILE 874 CO 0.00 0.48 -0.08 -0.33 -0.69 0.00 0.00 178.15 177.53 3h44 h GLU 875 N 0.00 -0.20 0.00 2.37 5.08 -1.62 -3.29 114.58 116.92 3h44 h GLU 875 Ca -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3h44 h GLU 875 Cb 0.96 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3h44 h GLU 875 CO 0.06 0.22 0.18 -0.44 -1.00 0.00 0.00 179.01 178.03 3h44 h ASP 876 N -0.88 0.00 -3.39 1.42 3.45 -1.55 -3.44 116.42 112.03 3h44 h ASP 876 Ca -0.02 0.00 -0.55 0.00 0.43 0.00 0.00 57.03 56.89 3h44 h ASP 876 Cb 0.52 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.24 3h44 h ASP 876 CO 0.04 0.00 0.12 0.00 -1.57 0.00 0.00 179.24 177.82 3h44 s MET 877 N -4.06 4.45 0.47 3.56 0.23 -0.74 -5.02 119.30 118.18 3h44 s MET 877 Ca -0.04 0.97 -0.25 0.00 -1.03 0.00 0.00 55.69 55.34 3h44 s MET 877 Cb 0.10 -3.39 -0.08 0.00 -1.53 0.00 0.00 34.83 29.93 3h44 s MET 877 CO 0.32 0.22 1.40 0.25 -2.03 0.00 0.00 175.02 175.18 3h44 n THR 878 N 3.12 2.97 0.00 3.16 -2.24 -1.26 -4.78 114.28 115.25 3h44 n THR 878 Ca -0.02 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3h44 n THR 878 Cb 0.51 -1.78 0.00 0.00 -2.10 0.00 0.00 70.33 66.96 3h44 n THR 878 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3h44 n GLU 879 N -0.32 0.00 -0.03 -0.78 4.07 -1.26 -1.24 120.64 121.08 3h44 n GLU 879 Ca 0.06 0.43 -0.00 0.00 -0.06 0.00 0.00 57.16 57.60 3h44 n GLU 879 Cb 0.42 -1.51 -0.00 0.00 -0.06 0.00 0.00 31.44 30.29 3h44 n GLU 879 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3h44 h GLU 880 N 0.00 -0.00 -0.74 5.31 4.39 -1.99 -2.59 114.58 118.96 3h44 h GLU 880 Ca 0.00 0.00 0.25 0.00 0.34 0.00 0.00 59.36 59.95 3h44 h GLU 880 Cb 0.01 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.53 3h44 h GLU 880 CO 0.00 -0.00 0.20 0.00 -1.16 0.00 0.00 179.01 178.05 3h44 n ALA 881 N -2.43 0.56 -0.17 3.43 0.00 -0.64 0.39 120.51 121.64 3h44 n ALA 881 Ca -0.00 0.77 -0.10 0.00 0.00 0.00 0.00 53.44 54.12 3h44 n ALA 881 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3h44 n ALA 881 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3h44 h PHE 882 N 0.00 0.94 -0.09 0.00 3.57 -1.27 -2.80 116.94 117.28 3h44 h PHE 882 Ca 0.53 -0.16 -0.10 0.00 3.53 0.00 0.00 57.97 61.78 3h44 h PHE 882 Cb 1.27 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 3h44 h PHE 882 CO -0.20 0.88 -0.38 1.96 -2.23 0.00 0.00 178.31 178.34 3h44 h GLN 883 N 0.73 0.18 -0.30 1.11 1.08 0.36 -2.76 115.11 115.51 3h44 h GLN 883 Ca 0.14 -0.08 0.06 0.00 -1.45 0.00 0.00 58.65 57.32 3h44 h GLN 883 Cb 0.49 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.87 3h44 h GLN 883 CO 0.02 0.54 -0.03 0.87 -0.95 0.00 0.00 178.83 179.28 3h44 h LYS 884 N 0.16 0.04 -0.31 1.46 1.57 -1.03 0.29 116.57 118.75 3h44 h LYS 884 Ca 0.02 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 3h44 h LYS 884 Cb 0.74 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 3h44 h LYS 884 CO 0.06 0.03 -0.13 0.45 -0.57 0.00 0.00 179.45 179.28 3h44 h HIS 885 N 0.05 0.59 -0.41 -1.35 3.86 -1.37 0.32 115.15 116.83 3h44 h HIS 885 Ca 0.14 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 3h44 h HIS 885 Cb 0.20 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 3h44 h HIS 885 CO -0.25 0.66 0.13 0.82 0.86 0.00 0.00 177.93 180.15 3h44 h ILE 886 N 0.50 1.21 -0.86 2.45 2.04 -1.18 -2.59 117.51 119.09 3h44 h ILE 886 Ca 0.09 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 3h44 h ILE 886 Cb 0.53 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 3h44 h ILE 886 CO 0.03 0.25 0.44 -0.61 0.00 0.00 0.00 178.15 178.26 3h44 h GLN 887 N 0.51 1.22 0.83 2.37 5.75 -0.40 -0.68 115.11 124.71 3h44 h GLN 887 Ca 0.13 -0.16 -0.04 0.00 -0.15 0.00 0.00 58.65 58.43 3h44 h GLN 887 Cb 0.25 -0.23 0.01 0.00 1.07 0.00 0.00 27.48 28.58 3h44 h GLN 887 CO -0.01 0.91 -0.40 0.00 -2.65 0.00 0.00 178.83 176.69 3h44 h ALA 888 N 1.26 -1.12 -0.67 3.38 0.00 -0.85 -1.18 119.26 120.09 3h44 h ALA 888 Ca 0.30 -0.25 0.13 0.00 0.00 0.00 0.00 54.91 55.09 3h44 h ALA 888 Cb 0.08 0.43 -0.13 0.00 0.00 0.00 0.00 17.79 18.18 3h44 h ALA 888 CO -0.04 -1.08 -0.16 1.25 0.00 0.00 0.00 179.25 179.22 3h44 h LEU 889 N -1.22 -0.61 -0.37 0.00 6.46 -1.32 -0.11 115.31 118.14 3h44 h LEU 889 Ca -0.11 0.20 0.07 0.00 -0.12 0.00 0.00 57.88 57.91 3h44 h LEU 889 Cb 0.87 0.41 -0.09 0.00 -0.73 0.00 0.00 40.66 41.12 3h44 h LEU 889 CO 0.19 -0.22 -0.40 0.00 -0.62 0.00 0.00 178.44 177.39 3h44 h ALA 890 N 1.66 -0.37 -0.57 1.25 0.00 -0.98 0.14 119.26 120.40 3h44 h ALA 890 Ca 0.32 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.34 3h44 h ALA 890 Cb 0.49 0.82 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 3h44 h ALA 890 CO -0.68 -0.83 0.31 0.82 0.00 0.00 0.00 179.25 178.87 3h44 h ILE 891 N -0.32 0.99 -0.52 0.00 2.04 0.11 -1.07 117.51 118.74 3h44 h ILE 891 Ca 0.14 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3h44 h ILE 891 Cb 0.58 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3h44 h ILE 891 CO -0.54 0.11 0.34 0.03 0.00 0.00 0.00 178.15 178.08 3h44 h ARG 892 N 0.60 0.69 -0.01 2.37 3.08 -0.11 -1.56 114.38 119.45 3h44 h ARG 892 Ca 0.25 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 60.09 3h44 h ARG 892 Cb 0.12 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3h44 h ARG 892 CO -0.15 0.47 -0.73 0.00 -1.07 0.00 0.00 179.97 178.49 3h44 h ARG 893 N 0.70 0.06 -0.02 0.04 2.47 -0.24 -3.13 114.38 114.26 3h44 h ARG 893 Ca 0.19 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 3h44 h ARG 893 Cb -0.06 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 3h44 h ARG 893 CO -0.04 0.76 -0.05 1.28 0.56 0.00 0.00 179.97 182.49 3h44 n LEU 894 N -3.70 2.32 -4.65 3.04 4.77 -0.45 -4.91 117.00 113.42 3h44 n LEU 894 Ca -0.01 -0.77 -0.49 0.00 -0.03 0.00 0.00 56.01 54.70 3h44 n LEU 894 Cb 0.71 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.74 3h44 n LEU 894 CO 0.44 0.39 1.55 -0.67 -1.33 0.00 0.00 177.39 177.77 3h44 n ASP 895 N 0.75 3.20 -4.75 -1.43 2.03 -0.61 -4.92 116.55 110.81 3h44 n ASP 895 Ca 0.15 0.85 -0.41 0.00 0.52 0.00 0.00 54.79 55.90 3h44 n ASP 895 Cb 0.49 -1.36 -0.04 0.00 -0.72 0.00 0.00 41.12 39.50 3h44 n ASP 895 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3h44 s LYS 896 N 4.52 4.52 0.38 -0.67 3.01 -1.26 -5.01 119.74 125.23 3h44 s LYS 896 Ca 0.96 1.91 -0.27 0.00 -1.01 0.00 0.00 55.97 57.56 3h44 s LYS 896 Cb -0.71 -3.19 -0.11 0.00 -1.01 0.00 0.00 37.83 32.81 3h44 s LYS 896 CO 0.51 0.00 1.35 -0.35 0.51 0.00 0.00 175.35 177.37 3h44 n PRO 897 N 1.74 2.23 -0.01 -1.68 -0.04 -1.26 -4.95 135.00 131.03 3h44 n PRO 897 Ca 0.02 0.78 0.10 0.00 -0.04 0.00 0.00 63.50 64.37 3h44 n PRO 897 Cb 0.44 -2.46 -0.16 0.00 -0.04 0.00 0.00 33.50 31.28 3h44 n PRO 897 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3h44 n LYS 898 N 0.30 0.62 -4.29 0.54 4.76 -1.26 -4.94 118.16 113.89 3h44 n LYS 898 Ca 0.04 -0.19 -0.21 0.00 -2.87 0.00 0.00 58.31 55.09 3h44 n LYS 898 Cb 0.38 -1.49 -0.12 0.00 -1.84 0.00 0.00 35.03 31.96 3h44 n LYS 898 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 3h44 s LYS 899 N -3.43 1.16 0.12 1.97 -2.85 -1.26 -4.24 119.74 111.20 3h44 s LYS 899 Ca -0.07 -1.29 -0.31 0.00 -1.00 0.00 0.00 55.97 53.30 3h44 s LYS 899 Cb 0.13 -1.22 -0.11 0.00 -2.06 0.00 0.00 37.83 34.58 3h44 s LYS 899 CO 0.87 0.25 1.51 1.25 0.10 0.00 0.00 175.35 179.33 3h44 h LEU 900 N 3.56 -1.73 -0.97 2.77 5.85 -1.96 -1.67 115.31 121.16 3h44 h LEU 900 Ca -0.42 0.22 0.36 0.00 0.84 0.00 0.00 57.88 58.87 3h44 h LEU 900 Cb 1.20 0.70 -0.18 0.00 0.37 0.00 0.00 40.66 42.75 3h44 h LEU 900 CO 0.48 -0.39 0.33 -1.20 -0.34 0.00 0.00 178.44 177.32 3h44 n SER 901 N -5.20 0.17 -0.11 1.25 7.64 -1.26 -0.28 113.62 115.83 3h44 n SER 901 Ca -0.04 1.63 -0.13 0.00 1.01 0.00 0.00 58.87 61.35 3h44 n SER 901 Cb 0.32 -0.72 -0.03 0.00 -1.01 0.00 0.00 64.21 62.77 3h44 n SER 901 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h44 h ALA 902 N 1.95 0.48 0.53 -0.43 0.00 -1.73 -0.50 119.26 119.56 3h44 h ALA 902 Ca 0.74 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 3h44 h ALA 902 Cb 1.82 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.51 3h44 h ALA 902 CO -0.81 0.49 -0.26 1.49 0.00 0.00 0.00 179.25 180.16 3h44 h GLU 903 N 0.54 -0.69 -0.84 0.00 4.81 -0.44 -2.66 114.58 115.29 3h44 h GLU 903 Ca 0.06 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.41 3h44 h GLU 903 Cb 0.85 0.16 -0.10 0.00 0.63 0.00 0.00 28.75 30.29 3h44 h GLU 903 CO 0.07 -0.39 -0.50 0.43 -0.73 0.00 0.00 179.01 177.89 3h44 n SER 904 N -5.33 -0.90 -0.29 1.04 7.64 -0.05 -0.83 113.62 114.90 3h44 n SER 904 Ca -0.12 1.59 0.12 0.00 1.01 0.00 0.00 58.87 61.47 3h44 n SER 904 Cb 0.32 -0.24 0.27 0.00 -1.01 0.00 0.00 64.21 63.55 3h44 n SER 904 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h44 h ALA 905 N 0.33 1.18 -0.17 -0.43 0.00 -0.99 0.23 119.26 119.42 3h44 h ALA 905 Ca 0.14 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 3h44 h ALA 905 Cb 0.35 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3h44 h ALA 905 CO -0.79 -0.47 0.09 0.87 0.00 0.00 0.00 179.25 178.94 3h44 h LYS 906 N 0.17 0.24 -0.79 0.00 1.57 -0.62 -0.36 116.57 116.77 3h44 h LYS 906 Ca 0.53 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.26 3h44 h LYS 906 Cb 1.05 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.28 3h44 h LYS 906 CO -0.68 0.26 0.42 1.88 -0.57 0.00 0.00 179.45 180.76 3h44 h TYR 907 N 0.15 1.09 -0.49 -1.35 0.99 -0.15 -2.41 116.97 114.80 3h44 h TYR 907 Ca 0.06 -0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 3h44 h TYR 907 Cb 0.10 -0.35 -0.02 0.00 1.00 0.00 0.00 36.73 37.45 3h44 h TYR 907 CO -0.03 0.77 0.25 2.35 -0.00 0.00 0.00 178.16 181.49 3h44 h TRP 908 N 1.11 0.70 -0.46 4.88 -0.00 -0.32 -0.95 115.95 120.91 3h44 h TRP 908 Ca 0.28 -0.03 0.08 0.00 -0.00 0.00 0.00 58.89 59.22 3h44 h TRP 908 Cb 0.05 -0.22 -0.07 0.00 -0.00 0.00 0.00 29.16 28.92 3h44 h TRP 908 CO 0.01 0.55 0.05 0.78 -0.00 0.00 0.00 178.44 179.83 3h44 h GLY 909 N 0.65 0.51 0.98 2.65 0.00 -0.60 0.21 103.07 107.48 3h44 h GLY 909 Ca 0.17 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 3h44 h GLY 909 CO -0.02 -0.09 0.19 0.83 0.00 0.00 0.00 176.54 177.45 3h44 h GLU 910 N 0.17 0.41 0.25 4.80 4.39 -1.15 -2.40 114.58 121.06 3h44 h GLU 910 Ca 0.23 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 3h44 h GLU 910 Cb 0.32 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3h44 h GLU 910 CO -0.34 0.31 -0.12 0.82 -1.16 0.00 0.00 179.01 178.52 3h44 h ILE 911 N 0.40 0.80 0.00 3.13 2.04 -0.08 -2.12 117.51 121.68 3h44 h ILE 911 Ca 0.11 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 3h44 h ILE 911 Cb -0.00 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3h44 h ILE 911 CO -0.02 0.11 -0.18 0.16 0.00 0.00 0.00 178.15 178.22 3h44 h ILE 912 N -0.61 0.47 -0.10 -0.67 3.07 -0.68 0.46 117.51 119.45 3h44 h ILE 912 Ca -0.03 -0.96 0.00 0.00 1.55 0.00 0.00 64.86 65.41 3h44 h ILE 912 Cb 0.44 1.68 0.00 0.00 -0.27 0.00 0.00 36.82 38.67 3h44 h ILE 912 CO 0.06 0.18 0.00 -1.54 -1.05 0.00 0.00 178.15 175.79 3h44 n SER 913 N -3.37 0.81 -1.97 2.16 3.41 -0.90 -4.90 113.62 108.85 3h44 n SER 913 Ca -0.00 -1.65 -0.07 0.00 -0.26 0.00 0.00 58.87 56.88 3h44 n SER 913 Cb 0.39 -0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.26 3h44 n SER 913 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h44 n GLN 914 N -0.21 -1.99 -0.04 4.33 6.02 0.15 -4.79 117.38 120.85 3h44 n GLN 914 Ca 0.13 0.39 -0.08 0.00 -0.01 0.00 0.00 57.00 57.43 3h44 n GLN 914 Cb 0.18 -4.78 -0.14 0.00 1.02 0.00 0.00 30.24 26.52 3h44 n GLN 914 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3h44 n GLN 915 N -2.21 0.65 -3.92 -1.09 6.02 -0.89 -4.03 117.38 111.92 3h44 n GLN 915 Ca -0.08 0.18 -0.31 0.00 -0.01 0.00 0.00 57.00 56.78 3h44 n GLN 915 Cb 0.44 -1.70 -0.00 0.00 1.02 0.00 0.00 30.24 29.99 3h44 n GLN 915 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3h44 n TYR 916 N -2.92 -1.93 -2.50 1.08 4.02 -0.85 -1.07 117.16 113.00 3h44 n TYR 916 Ca -0.21 0.75 -0.41 0.00 -0.01 0.00 0.00 57.90 58.02 3h44 n TYR 916 Cb 1.06 -3.25 0.02 0.00 -0.02 0.00 0.00 39.34 37.14 3h44 n TYR 916 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3h44 n ASN 917 N -2.61 7.45 0.14 7.72 2.85 -1.26 -4.62 115.26 124.93 3h44 n ASN 917 Ca 0.05 -3.63 0.19 0.00 -0.11 0.00 0.00 54.58 51.07 3h44 n ASN 917 Cb 0.51 -1.19 0.73 0.00 1.24 0.00 0.00 39.78 41.07 3h44 n ASN 917 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 3h44 h PHE 918 N 4.15 0.00 -0.56 1.20 0.04 -1.97 0.45 116.94 120.25 3h44 h PHE 918 Ca 0.56 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.33 3h44 h PHE 918 Cb 0.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.45 3h44 h PHE 918 CO 1.36 0.00 0.00 -3.47 -0.60 0.00 0.00 178.31 175.60 3h44 n ASP 919 N -3.43 3.31 -0.35 2.17 4.64 -1.26 -4.71 116.55 116.93 3h44 n ASP 919 Ca 0.06 -1.98 0.22 0.00 -1.38 0.00 0.00 54.79 51.71 3h44 n ASP 919 Cb 0.62 -0.37 0.47 0.00 -1.04 0.00 0.00 41.12 40.81 3h44 n ASP 919 CO 0.00 0.00 0.00 -0.09 -0.82 0.00 0.00 177.20 176.29 3h44 h ARG 920 N 3.79 0.41 -0.28 -0.67 2.43 -0.50 -1.85 114.38 117.70 3h44 h ARG 920 Ca 0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3h44 h ARG 920 Cb 0.86 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 3h44 h ARG 920 CO 0.00 0.27 0.15 -0.44 -1.51 0.00 0.00 179.97 178.43 3h44 h ASP 921 N 0.42 0.35 -0.07 -3.80 3.32 -1.84 0.38 116.42 115.17 3h44 h ASP 921 Ca 0.66 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.60 3h44 h ASP 921 Cb 1.54 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 41.00 3h44 h ASP 921 CO -0.43 0.35 -0.01 0.78 -1.72 0.00 0.00 179.24 178.20 3h44 h ASN 922 N 0.33 0.14 -0.01 6.45 4.21 -1.73 -1.07 115.58 123.90 3h44 h ASN 922 Ca 0.10 -0.35 0.00 0.00 1.21 0.00 0.00 56.30 57.25 3h44 h ASN 922 Cb 0.08 -0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 37.24 3h44 h ASN 922 CO -0.01 0.46 -0.01 0.74 -1.29 0.00 0.00 177.43 177.32 3h44 h THR 923 N -0.18 0.00 -0.13 2.81 2.02 -1.48 0.20 112.91 116.14 3h44 h THR 923 Ca 0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 3h44 h THR 923 Cb 0.40 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3h44 h THR 923 CO 0.01 0.00 0.03 -0.33 0.37 0.00 0.00 175.52 175.60 3h44 h GLU 924 N -0.00 0.18 -0.05 6.66 5.08 -0.24 -1.28 114.58 124.94 3h44 h GLU 924 Ca 0.00 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3h44 h GLU 924 Cb 0.00 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.22 3h44 h GLU 924 CO -0.01 0.18 -0.34 0.28 -1.00 0.00 0.00 179.01 178.12 3h44 h VAL 925 N 0.18 1.45 -0.40 3.13 2.07 -1.10 -1.25 116.25 120.34 3h44 h VAL 925 Ca 0.05 -1.80 0.07 0.00 0.82 0.00 0.00 66.70 65.84 3h44 h VAL 925 Cb 0.08 2.44 -0.09 0.00 -1.52 0.00 0.00 31.29 32.20 3h44 h VAL 925 CO -0.00 0.51 -0.39 0.00 0.02 0.00 0.00 177.57 177.71 3h44 h ALA 926 N 0.38 -0.33 -0.06 1.67 0.00 -0.16 0.16 119.26 120.92 3h44 h ALA 926 Ca -0.03 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3h44 h ALA 926 Cb 1.01 0.82 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 3h44 h ALA 926 CO 0.07 -0.81 0.01 -0.92 0.00 0.00 0.00 179.25 177.60 3h44 h TYR 927 N -0.30 0.08 0.61 0.00 3.20 -1.29 -3.19 116.97 116.08 3h44 h TYR 927 Ca 0.15 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 3h44 h TYR 927 Cb 0.57 -0.03 0.01 0.00 1.54 0.00 0.00 36.73 38.82 3h44 h TYR 927 CO -0.59 0.08 -0.29 1.25 -1.64 0.00 0.00 178.16 176.97 3h44 h LEU 928 N 0.08 -0.69 -1.62 2.82 6.46 0.57 -2.98 115.31 119.95 3h44 h LEU 928 Ca 0.02 -0.00 0.41 0.00 -0.12 0.00 0.00 57.88 58.19 3h44 h LEU 928 Cb 0.05 0.18 -0.10 0.00 -0.73 0.00 0.00 40.66 40.06 3h44 h LEU 928 CO -0.00 -0.44 0.92 0.11 -0.62 0.00 0.00 178.44 178.41 3h44 h LYS 929 N -0.89 0.11 0.00 1.25 1.79 -1.45 0.16 116.57 117.53 3h44 h LYS 929 Ca -0.08 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 3h44 h LYS 929 Cb 0.65 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 3h44 h LYS 929 CO 0.14 0.07 0.14 2.41 -1.08 0.00 0.00 179.45 181.13 3h44 n THR 930 N -4.44 1.17 -3.14 -0.16 -1.04 -1.13 -4.87 114.28 100.67 3h44 n THR 930 Ca 0.34 0.62 -0.26 0.00 -2.04 0.00 0.00 64.05 62.71 3h44 n THR 930 Cb 1.40 -1.62 -0.02 0.00 -1.82 0.00 0.00 70.33 68.27 3h44 n THR 930 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3h44 s LEU 931 N -3.52 3.91 0.15 -4.42 1.02 0.56 -5.09 118.68 111.28 3h44 s LEU 931 Ca -0.01 0.69 -0.00 0.00 0.02 0.00 0.00 54.13 54.83 3h44 s LEU 931 Cb 0.02 -3.57 -0.04 0.00 0.02 0.00 0.00 46.19 42.63 3h44 s LEU 931 CO 0.08 -0.35 0.05 0.42 0.02 0.00 0.00 176.35 176.57 3h44 s THR 932 N -2.37 0.21 0.35 5.49 -4.23 -1.26 -5.03 115.64 108.80 3h44 s THR 932 Ca 0.44 -1.93 0.17 0.00 -1.18 0.00 0.00 61.69 59.18 3h44 s THR 932 Cb -0.10 -2.10 0.35 0.00 1.34 0.00 0.00 72.50 71.99 3h44 s THR 932 CO 0.37 -0.43 1.52 0.29 -0.54 0.00 0.00 174.62 175.83 3h44 n LYS 933 N -0.14 -0.06 0.31 3.99 5.02 -1.26 -0.79 118.16 125.23 3h44 n LYS 933 Ca -0.05 1.35 -0.16 0.00 -2.02 0.00 0.00 58.31 57.43 3h44 n LYS 933 Cb 0.64 -2.37 -0.08 0.00 -0.02 0.00 0.00 35.03 33.19 3h44 n LYS 933 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3h44 h GLU 934 N 0.00 -0.75 -0.87 1.97 5.08 -1.98 -0.99 114.58 117.05 3h44 h GLU 934 Ca 0.78 0.05 0.20 0.00 -1.00 0.00 0.00 59.36 59.39 3h44 h GLU 934 Cb 1.99 0.17 -0.16 0.00 0.50 0.00 0.00 28.75 31.25 3h44 h GLU 934 CO -0.77 -0.45 -0.06 -0.44 -1.00 0.00 0.00 179.01 176.28 3h44 h ASP 935 N -0.92 -0.55 0.01 1.42 3.32 -1.36 0.74 116.42 119.08 3h44 h ASP 935 Ca -0.08 0.24 -0.17 0.00 0.02 0.00 0.00 57.03 57.04 3h44 h ASP 935 Cb 0.64 0.45 0.01 0.00 0.22 0.00 0.00 39.33 40.66 3h44 h ASP 935 CO 0.13 -0.27 -0.69 0.40 -1.72 0.00 0.00 179.24 177.10 3h44 h ILE 936 N 0.04 1.41 -0.92 0.35 1.08 -1.37 -1.68 117.51 116.42 3h44 h ILE 936 Ca 0.47 -2.14 0.08 0.00 -0.39 0.00 0.00 64.86 62.88 3h44 h ILE 936 Cb 0.84 2.61 -0.07 0.00 -3.07 0.00 0.00 36.82 37.13 3h44 h ILE 936 CO -0.82 0.63 0.57 0.40 -0.69 0.00 0.00 178.15 178.24 3h44 h ILE 937 N -0.05 1.01 -0.02 -0.67 1.08 -0.52 -0.86 117.51 117.48 3h44 h ILE 937 Ca -0.09 -0.34 0.03 0.00 -0.39 0.00 0.00 64.86 64.07 3h44 h ILE 937 Cb 1.40 -0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 35.04 3h44 h ILE 937 CO 0.13 0.18 -0.17 0.50 -0.69 0.00 0.00 178.15 178.11 3h44 h LYS 938 N 1.00 -0.26 -0.69 2.37 3.64 -0.79 -2.07 116.57 119.77 3h44 h LYS 938 Ca 0.42 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.93 3h44 h LYS 938 Cb 0.26 0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 32.05 3h44 h LYS 938 CO -0.20 -0.17 0.26 0.35 -2.27 0.00 0.00 179.45 177.42 3h44 h PHE 939 N -0.27 0.44 -0.55 1.91 3.57 -0.77 0.59 116.94 121.86 3h44 h PHE 939 Ca 0.06 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.49 3h44 h PHE 939 Cb 0.34 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3h44 h PHE 939 CO -0.23 0.07 -0.06 -0.92 -2.23 0.00 0.00 178.31 174.94 3h44 h TYR 940 N 0.42 1.09 0.08 0.41 5.03 -0.65 -1.03 116.97 122.33 3h44 h TYR 940 Ca 0.37 -0.20 -0.27 0.00 2.58 0.00 0.00 58.73 61.21 3h44 h TYR 940 Cb 0.52 -0.28 0.01 0.00 1.55 0.00 0.00 36.73 38.53 3h44 h TYR 940 CO -0.18 0.99 -1.14 0.87 -1.32 0.00 0.00 178.16 177.39 3h44 h LYS 941 N 0.89 0.43 0.03 1.82 1.57 -1.09 0.85 116.57 121.07 3h44 h LYS 941 Ca 0.15 -0.57 0.01 0.00 -1.87 0.00 0.00 60.65 58.37 3h44 h LYS 941 Cb 0.60 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 3h44 h LYS 941 CO 0.04 1.23 -0.06 0.93 -0.57 0.00 0.00 179.45 181.01 3h44 h GLU 942 N 0.19 -0.12 0.00 3.15 4.39 -0.75 -3.36 114.58 118.08 3h44 h GLU 942 Ca -0.13 0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.47 3h44 h GLU 942 Cb 1.82 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.47 3h44 h GLU 942 CO 0.20 -0.08 -1.39 -1.33 -1.16 0.00 0.00 179.01 175.25 3h44 n MET 943 N -5.18 2.92 -0.03 2.33 2.81 -0.40 -1.92 117.12 117.65 3h44 n MET 943 Ca -0.07 -0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.77 3h44 n MET 943 Cb 0.10 -1.14 -0.03 0.00 -0.71 0.00 0.00 33.22 31.44 3h44 n MET 943 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3h44 n LEU 944 N -2.24 2.09 -4.53 4.03 4.77 -0.13 -4.08 117.00 116.90 3h44 n LEU 944 Ca -0.09 0.01 -0.39 0.00 -0.03 0.00 0.00 56.01 55.51 3h44 n LEU 944 Cb 0.68 -0.22 0.04 0.00 -2.33 0.00 0.00 43.42 41.58 3h44 n LEU 944 CO 0.12 0.44 0.28 0.00 -1.33 0.00 0.00 177.39 176.90 3h44 n ALA 945 N -2.92 -0.61 -0.44 -1.18 0.00 0.28 -4.79 120.51 110.85 3h44 n ALA 945 Ca -0.13 0.04 0.36 0.00 0.00 0.00 0.00 53.44 53.71 3h44 n ALA 945 Cb 0.62 -1.94 0.64 0.00 0.00 0.00 0.00 19.45 18.77 3h44 n ALA 945 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3h44 h VAL 946 N 0.54 0.18 -0.57 0.00 3.04 -1.95 0.15 116.25 117.64 3h44 h VAL 946 Ca -0.46 -0.04 -0.42 0.00 -1.01 0.00 0.00 66.70 64.78 3h44 h VAL 946 Cb 1.38 0.05 -0.33 0.00 -2.01 0.00 0.00 31.29 30.39 3h44 h VAL 946 CO 0.50 0.02 -0.75 -0.90 -1.01 0.00 0.00 177.57 175.43 3h44 n ASP 947 N -4.62 4.13 -4.75 3.17 3.85 -1.26 -5.00 116.55 112.06 3h44 n ASP 947 Ca 0.35 -3.77 -0.41 0.00 -0.71 0.00 0.00 54.79 50.25 3h44 n ASP 947 Cb 1.38 -0.39 -0.03 0.00 -1.35 0.00 0.00 41.12 40.74 3h44 n ASP 947 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3h44 s ALA 948 N -3.51 3.54 0.21 2.12 0.00 0.52 -4.93 121.76 119.70 3h44 s ALA 948 Ca 0.48 1.21 -0.18 0.00 0.00 0.00 0.00 51.96 53.47 3h44 s ALA 948 Cb 0.40 -3.49 0.19 0.00 0.00 0.00 0.00 23.12 20.22 3h44 s ALA 948 CO 0.01 -0.61 1.59 -1.00 0.00 0.00 0.00 175.76 175.75 3h44 h PRO 949 N 4.51 -0.09 -1.84 0.00 0.13 -1.71 -2.81 132.00 130.19 3h44 h PRO 949 Ca -0.47 0.01 -0.66 0.00 -0.87 0.00 0.00 66.00 64.01 3h44 h PRO 949 Cb 1.22 0.02 -0.37 0.00 0.13 0.00 0.00 31.00 32.00 3h44 h PRO 949 CO 0.73 -0.06 -0.09 0.54 -0.23 0.00 0.00 178.00 178.89 3h44 n ARG 950 N -5.46 3.40 -2.94 0.86 1.74 -0.81 -3.91 116.66 109.56 3h44 n ARG 950 Ca 0.07 -4.33 -0.41 0.00 -0.77 0.00 0.00 57.85 52.41 3h44 n ARG 950 Cb 0.37 -2.27 -0.04 0.00 -1.02 0.00 0.00 32.46 29.49 3h44 n ARG 950 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3h44 s ARG 951 N -3.74 4.33 -0.32 5.56 3.52 -1.06 -4.51 118.95 122.73 3h44 s ARG 951 Ca 0.48 0.97 0.03 0.00 -0.13 0.00 0.00 55.73 57.08 3h44 s ARG 951 Cb 0.37 -3.54 0.09 0.00 -1.56 0.00 0.00 34.95 30.32 3h44 s ARG 951 CO -0.24 -0.22 0.04 -1.01 -0.81 0.00 0.00 175.30 173.06 3h44 s HIS 952 N 1.77 3.34 -0.12 5.12 3.76 -1.26 -0.59 115.29 127.31 3h44 s HIS 952 Ca 0.38 -2.69 0.03 0.00 -0.15 0.00 0.00 55.06 52.62 3h44 s HIS 952 Cb -0.17 -2.59 0.01 0.00 1.11 0.00 0.00 32.58 30.94 3h44 s HIS 952 CO 0.14 -0.92 -0.21 0.21 -0.85 0.00 0.00 174.74 173.11 3h44 s LYS 953 N 1.05 2.84 0.14 1.40 2.20 -1.16 -0.86 119.74 125.34 3h44 s LYS 953 Ca 0.08 -0.79 0.09 0.00 -0.36 0.00 0.00 55.97 54.99 3h44 s LYS 953 Cb -0.19 -2.26 -0.04 0.00 -1.51 0.00 0.00 37.83 33.83 3h44 s LYS 953 CO -0.10 0.03 -0.22 0.08 -0.36 0.00 0.00 175.35 174.78 3h44 s VAL 954 N 0.71 1.95 -0.10 4.02 1.01 -0.34 -1.12 120.40 126.52 3h44 s VAL 954 Ca -0.11 -1.75 -0.07 0.00 0.00 0.00 0.00 61.98 60.05 3h44 s VAL 954 Cb -0.16 -1.80 0.04 0.00 0.00 0.00 0.00 36.38 34.45 3h44 s VAL 954 CO 0.01 -0.10 0.26 -0.44 0.00 0.00 0.00 175.10 174.83 3h44 s SER 955 N -2.24 -0.28 -0.21 3.32 0.01 -0.55 -0.10 113.70 113.66 3h44 s SER 955 Ca 0.12 0.54 -0.03 0.00 1.31 0.00 0.00 55.95 57.89 3h44 s SER 955 Cb -0.09 0.49 -0.01 0.00 0.21 0.00 0.00 66.02 66.62 3h44 s SER 955 CO 0.06 -0.13 -0.07 -0.69 0.41 0.00 0.00 173.24 172.83 3h44 s VAL 956 N 0.68 3.21 -0.28 3.43 1.01 -0.33 -0.74 120.40 127.39 3h44 s VAL 956 Ca -0.04 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 3h44 s VAL 956 Cb -0.06 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 3h44 s VAL 956 CO -0.04 0.45 0.15 -1.00 0.00 0.00 0.00 175.10 174.66 3h44 s HIS 957 N 1.34 3.17 -0.35 5.22 3.76 0.57 -2.45 115.29 126.55 3h44 s HIS 957 Ca 0.04 -0.13 -0.05 0.00 -0.15 0.00 0.00 55.06 54.78 3h44 s HIS 957 Cb -0.14 -2.34 0.06 0.00 1.11 0.00 0.00 32.58 31.27 3h44 s HIS 957 CO -0.04 -0.26 0.12 0.08 -0.85 0.00 0.00 174.74 173.80 3h44 s VAL 958 N 1.70 3.56 0.52 -0.90 1.01 0.24 -0.54 120.40 125.98 3h44 s VAL 958 Ca 0.07 -1.41 -0.17 0.00 0.00 0.00 0.00 61.98 60.46 3h44 s VAL 958 Cb -0.16 -3.12 -0.07 0.00 0.00 0.00 0.00 36.38 33.02 3h44 s VAL 958 CO 0.08 -0.31 1.01 -0.76 0.00 0.00 0.00 175.10 175.12 3h44 s LEU 959 N 1.32 3.66 0.99 3.92 1.43 0.18 -0.01 118.68 130.16 3h44 s LEU 959 Ca -0.00 1.69 -0.12 0.00 -1.03 0.00 0.00 54.13 54.67 3h44 s LEU 959 Cb -0.21 -4.53 0.18 0.00 0.03 0.00 0.00 46.19 41.67 3h44 s LEU 959 CO 0.00 -0.73 1.09 0.00 0.23 0.00 0.00 176.35 176.94 3h44 s ALA 960 N -2.44 0.96 0.27 4.21 0.00 -1.17 -0.99 121.76 122.61 3h44 s ALA 960 Ca 0.62 -0.21 -0.06 0.00 0.00 0.00 0.00 51.96 52.31 3h44 s ALA 960 Cb -0.12 -3.17 0.51 0.00 0.00 0.00 0.00 23.12 20.35 3h44 s ALA 960 CO 0.29 -2.82 1.58 -0.09 0.00 0.00 0.00 175.76 174.72 3h44 h ARG 961 N -1.89 0.02 -4.36 0.00 2.43 -1.11 -3.29 114.38 106.18 3h44 h ARG 961 Ca -0.54 -0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.02 3h44 h ARG 961 Cb 1.31 -0.00 -0.38 0.00 -0.42 0.00 0.00 29.97 30.48 3h44 h ARG 961 CO 0.55 0.01 -0.78 -1.83 -1.51 0.00 0.00 179.97 176.42 3h44 s GLU 962 N -6.16 1.57 0.00 0.20 1.03 -1.26 -4.90 118.70 109.18 3h44 s GLU 962 Ca -0.14 -1.11 0.00 0.00 0.03 0.00 0.00 54.97 53.75 3h44 s GLU 962 Cb 0.26 -2.62 0.00 0.00 -0.80 0.00 0.00 34.13 30.97 3h44 s GLU 962 CO 0.77 -0.66 0.00 -1.33 -1.33 0.00 0.00 175.26 172.71 3h44 n MET 963 N 4.63 0.00 -4.24 -4.83 2.81 -1.24 -5.10 117.12 109.15 3h44 n MET 963 Ca -0.10 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.66 3h44 n MET 963 Cb 0.44 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.84 3h44 n MET 963 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3h44 s ASP 964 N 0.62 0.60 0.00 7.83 1.01 -1.26 -5.05 116.67 120.43 3h44 s ASP 964 Ca 0.00 -1.35 0.00 0.00 0.71 0.00 0.00 52.55 51.91 3h44 s ASP 964 Cb 0.00 0.27 0.00 0.00 1.01 0.00 0.00 42.92 44.20 3h44 s ASP 964 CO 0.00 -0.77 0.00 -1.54 0.21 0.00 0.00 175.17 173.07 3h44 n SER 965 N -0.31 0.00 0.00 0.27 3.41 -1.26 -5.14 113.62 110.60 3h44 n SER 965 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3h44 n SER 965 Cb 0.66 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 3h44 n SER 965 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3h44 n ASN 979 N 0.00 0.00 -4.39 4.04 6.94 -1.26 -5.18 115.26 115.41 3h44 n ASN 979 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 54.58 54.13 3h44 n ASN 979 Cb 0.00 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.33 3h44 n ASN 979 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3h44 s LEU 980 N 0.00 5.41 1.16 -4.53 1.43 -1.26 -5.08 118.68 115.81 3h44 s LEU 980 Ca 0.00 -1.24 -0.17 0.00 -1.03 0.00 0.00 54.13 51.69 3h44 s LEU 980 Cb 0.00 -2.14 0.19 0.00 0.03 0.00 0.00 46.19 44.26 3h44 s LEU 980 CO 0.00 -0.58 0.37 -1.54 0.23 0.00 0.00 176.35 174.84 3h44 n SER 981 N 5.15 -2.28 -4.63 2.29 3.41 -1.26 -4.94 113.62 111.35 3h44 n SER 981 Ca -0.12 -0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 57.88 3h44 n SER 981 Cb 0.44 -1.05 -0.04 0.00 -0.26 0.00 0.00 64.21 63.31 3h44 n SER 981 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3h44 s GLN 982 N -3.80 4.11 -0.09 4.33 -1.52 -1.26 -5.01 119.66 116.42 3h44 s GLN 982 Ca 0.60 0.86 -0.22 0.00 -1.95 0.00 0.00 55.36 54.66 3h44 s GLN 982 Cb -0.16 -3.68 -0.04 0.00 -0.22 0.00 0.00 33.01 28.91 3h44 s GLN 982 CO 0.65 -0.60 0.64 0.00 -0.25 0.00 0.00 175.29 175.72 3h44 s ALA 983 N 2.96 3.39 0.67 6.09 0.00 -1.26 -4.31 121.76 129.29 3h44 s ALA 983 Ca 0.35 0.02 -0.14 0.00 0.00 0.00 0.00 51.96 52.20 3h44 s ALA 983 Cb -0.15 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.10 3h44 s ALA 983 CO 0.09 -0.11 1.09 -1.25 0.00 0.00 0.00 175.76 175.59 3h44 s PRO 984 N 0.83 2.82 0.02 0.00 0.04 -1.26 -4.94 135.00 132.51 3h44 s PRO 984 Ca 0.34 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.34 3h44 s PRO 984 Cb -0.17 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 3h44 s PRO 984 CO 0.15 -1.21 1.14 0.00 0.04 0.00 0.00 177.00 177.12 3h44 s ALA 985 N -2.53 3.35 0.06 8.56 0.00 -1.26 -4.96 121.76 124.99 3h44 s ALA 985 Ca 0.64 0.71 0.01 0.00 0.00 0.00 0.00 51.96 53.32 3h44 s ALA 985 Cb -0.18 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 3h44 s ALA 985 CO 0.44 -0.45 0.18 -0.51 0.00 0.00 0.00 175.76 175.42 3h44 s LEU 986 N 1.30 4.23 1.06 0.00 1.43 -1.26 -5.09 118.68 120.34 3h44 s LEU 986 Ca 0.56 0.20 -0.13 0.00 -1.03 0.00 0.00 54.13 53.73 3h44 s LEU 986 Cb -0.26 -2.85 0.16 0.00 0.03 0.00 0.00 46.19 43.27 3h44 s LEU 986 CO 0.27 0.17 0.67 -2.65 0.23 0.00 0.00 176.35 175.05 3h44 n PRO 987 N 0.33 -1.33 -1.85 1.29 -0.02 -1.26 -4.93 135.00 127.23 3h44 n PRO 987 Ca -0.06 -0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 60.65 3h44 n PRO 987 Cb 0.51 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.92 3h44 n PRO 987 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3h44 s GLN 988 N -4.06 3.11 0.02 -0.52 2.00 -1.26 -4.98 119.66 113.97 3h44 s GLN 988 Ca 0.63 1.54 -0.30 0.00 -2.00 0.00 0.00 55.36 55.23 3h44 s GLN 988 Cb -0.21 -4.30 -0.05 0.00 0.80 0.00 0.00 33.01 29.26 3h44 s GLN 988 CO 0.64 -2.13 1.18 -1.25 -0.50 0.00 0.00 175.29 173.24 3h44 s PRO 989 N 6.20 4.42 -0.70 1.67 0.04 -1.26 -4.92 135.00 140.45 3h44 s PRO 989 Ca 0.87 1.72 -0.27 0.00 0.04 0.00 0.00 61.00 63.36 3h44 s PRO 989 Cb -0.24 -3.42 0.01 0.00 0.04 0.00 0.00 34.50 30.89 3h44 s PRO 989 CO 0.32 -0.30 1.52 -2.00 0.04 0.00 0.00 177.00 176.58 3h44 s GLU 990 N 1.40 2.97 -0.34 4.56 -6.30 -0.41 -4.90 118.70 115.69 3h44 s GLU 990 Ca 0.57 0.07 -0.29 0.00 -2.50 0.00 0.00 54.97 52.82 3h44 s GLU 990 Cb -0.27 -4.30 0.01 0.00 0.00 0.00 0.00 34.13 29.57 3h44 s GLU 990 CO 0.27 -2.40 1.22 0.08 0.02 0.00 0.00 175.26 174.46 3h44 s VAL 991 N 7.08 4.23 -0.03 3.70 1.01 -1.26 -2.31 120.40 132.82 3h44 s VAL 991 Ca 0.48 1.37 -0.32 0.00 0.00 0.00 0.00 61.98 63.52 3h44 s VAL 991 Cb -0.10 -4.30 -0.10 0.00 0.00 0.00 0.00 36.38 31.89 3h44 s VAL 991 CO 0.16 -0.58 1.95 -0.38 0.00 0.00 0.00 175.10 176.26 3h44 n ILE 992 N 6.28 0.68 -0.04 2.22 5.41 0.22 -4.88 119.36 129.24 3h44 n ILE 992 Ca 0.14 -0.14 -0.21 0.00 1.00 0.00 0.00 62.75 63.53 3h44 n ILE 992 Cb 0.47 -2.14 -0.13 0.00 -0.71 0.00 0.00 39.64 37.13 3h44 n ILE 992 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 3h44 n GLN 993 N 7.25 0.71 -3.69 0.38 -0.06 -1.26 -4.63 117.38 116.08 3h44 n GLN 993 Ca 0.22 0.30 -0.10 0.00 -2.00 0.00 0.00 57.00 55.41 3h44 n GLN 993 Cb 0.36 -1.68 -0.10 0.00 -4.06 0.00 0.00 30.24 24.76 3h44 n GLN 993 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 3h44 s ASN 994 N -6.97 -0.59 0.06 1.69 3.84 -1.26 -5.09 114.94 106.62 3h44 s ASN 994 Ca -0.26 1.02 -0.19 0.00 0.21 0.00 0.00 52.86 53.64 3h44 s ASN 994 Cb 0.07 0.93 -0.12 0.00 -0.55 0.00 0.00 41.25 41.58 3h44 s ASN 994 CO 0.71 -0.20 1.41 0.24 -2.79 0.00 0.00 177.10 176.47 3h44 h MET 995 N 6.71 0.42 0.00 0.43 2.86 -2.00 -2.24 114.93 121.11 3h44 h MET 995 Ca -0.33 -0.19 -0.00 0.00 -2.06 0.00 0.00 59.70 57.11 3h44 h MET 995 Cb 1.19 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.84 3h44 h MET 995 CO 0.25 0.73 -0.00 1.79 1.06 0.00 0.00 176.91 180.74 3h44 h THR 996 N 0.11 0.00 -0.12 2.22 1.35 -1.98 -2.04 112.91 112.46 3h44 h THR 996 Ca 0.04 -0.81 -0.02 0.00 -0.55 0.00 0.00 66.41 65.08 3h44 h THR 996 Cb 0.61 1.81 -0.00 0.00 -1.73 0.00 0.00 68.15 68.83 3h44 h THR 996 CO 0.03 0.00 0.00 -0.33 -0.25 0.00 0.00 175.52 174.98 3h44 h GLU 997 N 0.00 0.20 -0.56 4.72 5.08 -1.96 -0.94 114.58 121.12 3h44 h GLU 997 Ca -0.00 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.39 3h44 h GLU 997 Cb 0.81 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.97 3h44 h GLU 997 CO 0.00 0.44 0.16 0.35 -1.00 0.00 0.00 179.01 178.96 3h44 h PHE 998 N -0.06 0.28 -0.54 4.33 3.57 -1.33 -1.43 116.94 121.76 3h44 h PHE 998 Ca 0.03 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.45 3h44 h PHE 998 Cb 0.35 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 3h44 h PHE 998 CO 0.03 0.04 -0.10 0.87 -2.23 0.00 0.00 178.31 176.93 3h44 h LYS 999 N 0.32 1.02 -0.76 1.11 1.57 -1.35 -3.18 116.57 115.30 3h44 h LYS 999 Ca 0.28 -0.37 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 3h44 h LYS 999 Cb 0.37 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 3h44 h LYS 999 CO -0.32 1.05 0.30 0.00 -0.57 0.00 0.00 179.45 179.91 3h44 h ARG 1000N 0.91 1.15 -0.70 3.15 3.08 -0.85 -3.12 114.38 117.98 3h44 h ARG 1000Ca 0.14 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3h44 h ARG 1000Cb 0.66 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3h44 h ARG 1000CO 0.05 0.94 0.00 0.41 -1.07 0.00 0.00 179.97 180.29 3h44 n GLY 1001N -0.86 1.43 3.08 0.04 0.00 -0.56 -4.88 105.19 103.44 3h44 n GLY 1001Ca 0.07 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 3h44 n GLY 1001CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h44 s LEU 1002N -0.86 2.29 1.18 0.99 1.43 -1.18 -5.06 118.68 117.47 3h44 s LEU 1002Ca 0.16 -0.62 -0.14 0.00 -1.03 0.00 0.00 54.13 52.49 3h44 s LEU 1002Cb 0.11 -0.17 0.28 0.00 0.03 0.00 0.00 46.19 46.44 3h44 s LEU 1002CO 0.06 -0.24 1.03 -2.16 0.23 0.00 0.00 176.35 175.27 3h44 s PRO 1003N -1.92 -1.01 -0.00 1.29 0.04 -1.26 -4.82 135.00 127.31 3h44 s PRO 1003Ca -0.06 0.63 0.07 0.00 0.04 0.00 0.00 61.00 61.67 3h44 s PRO 1003Cb -0.08 -1.56 -0.02 0.00 0.04 0.00 0.00 34.50 32.88 3h44 s PRO 1003CO -0.00 -3.73 -0.22 -0.51 0.04 0.00 0.00 177.00 172.58 3h44 s LEU 1004N -7.17 2.07 0.83 -3.56 1.43 -1.26 -1.32 118.68 109.70 3h44 s LEU 1004Ca 0.68 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 53.26 3h44 s LEU 1004Cb -0.22 -1.10 0.09 0.00 0.03 0.00 0.00 46.19 44.99 3h44 s LEU 1004CO 0.62 0.25 1.11 -0.36 0.23 0.00 0.00 176.35 178.20 3h44 s PHE 1005N -0.56 2.26 1.23 0.29 0.40 -0.67 -4.86 117.98 116.07 3h44 s PHE 1005Ca 0.08 1.59 -0.20 0.00 -0.60 0.00 0.00 56.93 57.80 3h44 s PHE 1005Cb -0.08 -3.14 0.30 0.00 0.51 0.00 0.00 43.02 40.61 3h44 s PHE 1005CO -0.00 -2.18 1.12 -2.14 0.70 0.00 0.00 175.22 172.72 3h44 s PRO 1006N -4.83 -1.45 -0.13 0.24 0.02 -1.26 -4.62 135.00 122.97 3h44 s PRO 1006Ca 0.63 -0.18 -0.07 0.00 0.02 0.00 0.00 61.00 61.40 3h44 s PRO 1006Cb -0.19 -1.58 -0.04 0.00 0.02 0.00 0.00 34.50 32.71 3h44 s PRO 1006CO 0.57 -3.84 0.12 -0.51 -0.33 0.00 0.00 177.00 173.01 3h44 s LEU 1007N -6.99 4.26 0.23 -5.54 1.02 -1.26 -4.77 118.68 105.63 3h44 s LEU 1007Ca 0.72 0.38 -0.31 0.00 0.02 0.00 0.00 54.13 54.94 3h44 s LEU 1007Cb -0.08 -2.04 -0.14 0.00 0.02 0.00 0.00 46.19 43.95 3h44 s LEU 1007CO 0.56 0.36 1.31 0.52 0.02 0.00 0.00 176.35 179.11 3h44 n VAL 1008N 2.33 1.06 -2.37 -1.59 0.31 -1.26 -4.96 118.33 111.84 3h44 n VAL 1008Ca -0.19 -0.26 -0.41 0.00 -0.01 0.00 0.00 64.34 63.46 3h44 n VAL 1008Cb 0.54 -1.28 -0.03 0.00 -0.91 0.00 0.00 33.84 32.16 3h44 n VAL 1008CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3h44 s LYS 1009N -0.55 4.48 0.23 5.55 1.02 -1.26 -4.92 119.74 124.29 3h44 s LYS 1009Ca 0.68 1.87 -0.32 0.00 0.02 0.00 0.00 55.97 58.23 3h44 s LYS 1009Cb -0.70 -3.25 -0.12 0.00 -0.52 0.00 0.00 37.83 33.23 3h44 s LYS 1009CO 0.52 -0.12 1.61 -2.30 -0.92 0.00 0.00 175.35 174.14 3h44 n PRO 1010N 2.70 2.51 0.00 -1.68 -0.02 -1.26 -4.90 135.00 132.35 3h44 n PRO 1010Ca 0.05 0.90 0.15 0.00 -2.02 0.00 0.00 63.50 62.58 3h44 n PRO 1010Cb 0.45 -2.69 0.79 0.00 -0.02 0.00 0.00 33.50 32.03 3h44 n PRO 1010CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06