#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h7x n PRO 3 N 0.00 -2.51 -2.37 0.00 -0.02 -1.26 -4.76 135.00 124.08 1h7x n PRO 3 Ca 0.00 -0.74 -0.41 0.00 -2.02 0.00 0.00 63.50 60.33 1h7x n PRO 3 Cb 0.00 -1.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 1h7x n PRO 3 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1h7x s VAL 4 N -2.07 3.69 0.29 -1.45 1.01 -1.26 -4.87 120.40 115.73 1h7x s VAL 4 Ca 0.37 0.51 -0.02 0.00 0.00 0.00 0.00 61.98 62.83 1h7x s VAL 4 Cb -0.06 -4.48 0.27 0.00 0.00 0.00 0.00 36.38 32.11 1h7x s VAL 4 CO 0.32 -1.31 1.94 -0.07 0.00 0.00 0.00 175.10 175.97 1h7x h LEU 5 N 13.69 0.99 -1.36 3.92 3.38 -1.99 -2.80 115.31 131.15 1h7x h LEU 5 Ca -0.27 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1h7x h LEU 5 Cb 1.09 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1h7x h LEU 5 CO 1.21 0.69 0.00 -1.54 0.09 0.00 0.00 178.44 178.89 1h7x n SER 6 N -4.43 1.72 -4.27 -0.43 3.41 -1.26 -4.82 113.62 103.53 1h7x n SER 6 Ca 0.12 -2.15 -0.27 0.00 -0.26 0.00 0.00 58.87 56.31 1h7x n SER 6 Cb 0.09 -0.50 -0.14 0.00 -0.26 0.00 0.00 64.21 63.39 1h7x n SER 6 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1h7x s LYS 7 N -1.34 1.53 0.10 4.33 1.02 -1.06 -5.12 119.74 119.21 1h7x s LYS 7 Ca 0.09 -0.95 -0.30 0.00 0.02 0.00 0.00 55.97 54.83 1h7x s LYS 7 Cb 0.07 -1.63 -0.06 0.00 -0.52 0.00 0.00 37.83 35.69 1h7x s LYS 7 CO 0.03 0.42 1.02 -0.51 -0.92 0.00 0.00 175.35 175.39 1h7x s ASP 8 N -1.07 7.38 0.90 2.83 1.01 -1.26 -4.97 116.67 121.49 1h7x s ASP 8 Ca 0.08 1.86 -0.12 0.00 0.71 0.00 0.00 52.55 55.08 1h7x s ASP 8 Cb -0.09 -2.59 0.13 0.00 1.01 0.00 0.00 42.92 41.38 1h7x s ASP 8 CO 0.01 -0.17 1.12 0.68 0.21 0.00 0.00 175.17 177.02 1h7x s VAL 9 N 0.22 2.34 0.23 -1.27 -7.23 -1.26 -4.68 120.40 108.75 1h7x s VAL 9 Ca 0.49 0.11 -0.09 0.00 -1.81 0.00 0.00 61.98 60.68 1h7x s VAL 9 Cb -0.25 -2.79 0.26 0.00 0.56 0.00 0.00 36.38 34.16 1h7x s VAL 9 CO 0.31 -0.14 1.64 0.00 -0.31 0.00 0.00 175.10 176.59 1h7x h ALA 10 N -1.47 0.66 -0.64 1.32 0.00 -1.99 -1.01 119.26 116.13 1h7x h ALA 10 Ca -0.50 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1h7x h ALA 10 Cb 1.31 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 1h7x h ALA 10 CO 0.60 -0.42 0.39 -0.44 0.00 0.00 0.00 179.25 179.38 1h7x h ASP 11 N 0.08 0.77 0.20 0.00 5.19 -1.99 -0.50 116.42 120.17 1h7x h ASP 11 Ca 0.37 -0.04 -0.26 0.00 -0.62 0.00 0.00 57.03 56.48 1h7x h ASP 11 Cb 0.62 -0.19 0.02 0.00 0.18 0.00 0.00 39.33 39.95 1h7x h ASP 11 CO -0.64 0.59 -1.08 0.40 -3.12 0.00 0.00 179.24 175.39 1h7x h ILE 12 N 0.89 1.34 -0.60 0.35 1.08 -1.68 -1.69 117.51 117.20 1h7x h ILE 12 Ca 0.23 -2.44 -0.00 0.00 -0.39 0.00 0.00 64.86 62.26 1h7x h ILE 12 Cb -0.03 2.52 -0.03 0.00 -3.07 0.00 0.00 36.82 36.21 1h7x h ILE 12 CO -0.04 0.74 0.36 -0.08 -0.69 0.00 0.00 178.15 178.43 1h7x h GLU 13 N 0.28 0.80 -0.23 2.37 4.81 -0.87 -0.23 114.58 121.52 1h7x h GLU 13 Ca -0.13 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 58.95 1h7x h GLU 13 Cb 1.74 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.94 1h7x h GLU 13 CO 0.20 0.56 -0.20 1.03 -0.73 0.00 0.00 179.01 179.87 1h7x h SER 14 N 0.82 0.57 0.34 1.04 0.87 -0.98 -2.87 113.55 113.33 1h7x h SER 14 Ca 0.22 -0.46 -0.04 0.00 -1.23 0.00 0.00 61.79 60.28 1h7x h SER 14 Cb -0.04 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 1h7x h SER 14 CO -0.04 0.91 -0.18 -0.29 -0.53 0.00 0.00 176.83 176.69 1h7x h ILE 15 N 0.23 0.83 -0.12 2.23 2.10 -0.64 -2.06 117.51 120.09 1h7x h ILE 15 Ca 0.04 -0.71 0.00 0.00 1.08 0.00 0.00 64.86 65.27 1h7x h ILE 15 Cb 0.74 1.42 0.00 0.00 -1.09 0.00 0.00 36.82 37.89 1h7x h ILE 15 CO 0.05 0.18 0.00 0.18 -1.08 0.00 0.00 178.15 177.48 1h7x n LEU 16 N -3.88 1.19 -0.29 2.19 4.77 -0.16 -4.50 117.00 116.31 1h7x n LEU 16 Ca -0.02 -0.50 0.11 0.00 -0.03 0.00 0.00 56.01 55.58 1h7x n LEU 16 Cb 0.28 -0.08 0.27 0.00 -2.33 0.00 0.00 43.42 41.56 1h7x n LEU 16 CO 0.33 0.25 0.97 0.00 -1.33 0.00 0.00 177.39 177.61 1h7x h ALA 17 N 3.91 1.25 -0.35 -1.18 0.00 -1.16 -0.62 119.26 121.11 1h7x h ALA 17 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1h7x h ALA 17 Cb 0.35 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1h7x h ALA 17 CO 0.00 -0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.13 1h7x n LEU 18 N -5.16 2.55 -4.76 0.00 4.32 -1.26 -4.94 117.00 107.75 1h7x n LEU 18 Ca 0.20 -1.16 -0.41 0.00 -0.02 0.00 0.00 56.01 54.62 1h7x n LEU 18 Cb 0.63 -0.23 -0.02 0.00 -1.62 0.00 0.00 43.42 42.17 1h7x n LEU 18 CO 0.10 0.58 1.01 0.21 -1.22 0.00 0.00 177.39 178.06 1h7x s ASN 19 N -1.35 6.77 0.21 -1.43 2.47 -0.24 -4.93 114.94 116.45 1h7x s ASN 19 Ca 0.35 2.62 -0.32 0.00 0.42 0.00 0.00 52.86 55.93 1h7x s ASN 19 Cb 0.19 -2.63 -0.14 0.00 -1.45 0.00 0.00 41.25 37.22 1h7x s ASN 19 CO 0.27 -0.57 1.48 -2.65 -3.72 0.00 0.00 177.10 171.90 1h7x n PRO 20 N 1.56 2.10 -3.78 0.43 -0.02 -1.26 -5.01 135.00 129.02 1h7x n PRO 20 Ca 0.03 0.75 -0.13 0.00 -2.02 0.00 0.00 63.50 62.13 1h7x n PRO 20 Cb 0.42 -2.46 -0.12 0.00 -0.02 0.00 0.00 33.50 31.32 1h7x n PRO 20 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1h7x s ARG 21 N 0.09 0.22 0.16 -0.52 0.52 -1.26 -5.13 118.95 113.03 1h7x s ARG 21 Ca 0.72 0.35 -0.32 0.00 -0.52 0.00 0.00 55.73 55.96 1h7x s ARG 21 Cb -0.66 0.04 -0.10 0.00 0.52 0.00 0.00 34.95 34.75 1h7x s ARG 21 CO 0.45 -0.07 1.66 0.95 0.02 0.00 0.00 175.30 178.31 1h7x s THR 22 N 0.45 2.46 0.06 0.02 -4.23 -1.26 -5.00 115.64 108.14 1h7x s THR 22 Ca -0.03 0.26 -0.18 0.00 -1.18 0.00 0.00 61.69 60.56 1h7x s THR 22 Cb -0.04 -3.17 -0.06 0.00 1.34 0.00 0.00 72.50 70.57 1h7x s THR 22 CO -0.02 0.01 0.52 -1.10 -0.54 0.00 0.00 174.62 173.49 1h7x s GLN 23 N 1.54 4.10 0.00 3.99 -1.52 -1.26 -4.97 119.66 121.54 1h7x s GLN 23 Ca 0.73 0.62 0.24 0.00 -1.95 0.00 0.00 55.36 55.01 1h7x s GLN 23 Cb -0.46 -3.21 0.34 0.00 -0.22 0.00 0.00 33.01 29.46 1h7x s GLN 23 CO 0.32 0.65 1.32 -1.13 -0.25 0.00 0.00 175.29 176.20 1h7x n SER 24 N 1.68 2.17 -4.05 5.90 3.41 -1.26 -4.95 113.62 116.53 1h7x n SER 24 Ca -0.11 -1.61 -0.08 0.00 -0.26 0.00 0.00 58.87 56.81 1h7x n SER 24 Cb 0.51 0.18 -0.09 0.00 -0.26 0.00 0.00 64.21 64.55 1h7x n SER 24 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1h7x s HIS 25 N -2.23 0.54 0.55 7.33 3.76 -1.26 -5.14 115.29 118.84 1h7x s HIS 25 Ca 0.26 -0.99 -0.18 0.00 -0.15 0.00 0.00 55.06 54.00 1h7x s HIS 25 Cb 0.19 -0.31 -0.05 0.00 1.11 0.00 0.00 32.58 33.52 1h7x s HIS 25 CO 0.43 -0.49 1.09 0.00 -0.85 0.00 0.00 174.74 174.91 1h7x s ALA 26 N -3.95 2.71 0.45 -1.40 0.00 -1.26 -5.01 121.76 113.30 1h7x s ALA 26 Ca 0.13 0.66 -0.13 0.00 0.00 0.00 0.00 51.96 52.61 1h7x s ALA 26 Cb 0.07 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 1h7x s ALA 26 CO -0.05 -0.74 0.86 0.00 0.00 0.00 0.00 175.76 175.83 1h7x s ALA 27 N -2.02 3.23 -0.21 0.00 0.00 -1.26 -5.07 121.76 116.43 1h7x s ALA 27 Ca 0.69 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.62 1h7x s ALA 27 Cb -0.20 -2.88 0.05 0.00 0.00 0.00 0.00 23.12 20.09 1h7x s ALA 27 CO 0.29 -0.09 -0.10 -1.17 0.00 0.00 0.00 175.76 174.69 1h7x s LEU 28 N -3.90 2.42 -0.13 0.00 2.96 -1.26 -5.08 118.68 113.69 1h7x s LEU 28 Ca 0.54 -0.96 -0.05 0.00 -0.22 0.00 0.00 54.13 53.44 1h7x s LEU 28 Cb -0.10 -1.26 0.06 0.00 0.50 0.00 0.00 46.19 45.39 1h7x s LEU 28 CO 0.31 -0.16 0.27 -1.00 -1.32 0.00 0.00 176.35 174.45 1h7x s HIS 29 N 1.37 -0.42 0.68 5.38 3.76 -1.26 -5.15 115.29 119.64 1h7x s HIS 29 Ca -0.02 0.96 -0.15 0.00 -0.15 0.00 0.00 55.06 55.69 1h7x s HIS 29 Cb -0.17 -0.00 0.01 0.00 1.11 0.00 0.00 32.58 33.53 1h7x s HIS 29 CO -0.08 -0.33 1.16 -1.54 -0.85 0.00 0.00 174.74 173.10 1h7x s SER 30 N 2.16 4.73 0.30 1.40 1.04 -1.26 -4.83 113.70 117.24 1h7x s SER 30 Ca -0.01 2.20 -0.00 0.00 0.48 0.00 0.00 55.95 58.61 1h7x s SER 30 Cb -0.12 -2.57 0.49 0.00 0.10 0.00 0.00 66.02 63.92 1h7x s SER 30 CO -0.09 -1.89 1.93 0.74 0.98 0.00 0.00 173.24 174.91 1h7x h THR 31 N 0.01 1.12 -0.28 2.02 2.02 -2.01 -0.56 112.91 115.22 1h7x h THR 31 Ca -0.48 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.31 1h7x h THR 31 Cb 1.27 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1h7x h THR 31 CO 0.52 0.20 0.05 0.25 0.37 0.00 0.00 175.52 176.91 1h7x h LEU 32 N 1.07 0.44 -1.05 2.58 5.85 -1.99 -0.40 115.31 121.80 1h7x h LEU 32 Ca 0.36 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.86 1h7x h LEU 32 Cb 0.09 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 1h7x h LEU 32 CO -0.12 0.57 0.64 0.00 -0.34 0.00 0.00 178.44 179.20 1h7x h ALA 33 N 0.88 1.33 -0.38 1.25 0.00 -1.75 -1.77 119.26 118.83 1h7x h ALA 33 Ca 0.09 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1h7x h ALA 33 Cb 0.32 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1h7x h ALA 33 CO 0.00 0.60 0.01 0.87 0.00 0.00 0.00 179.25 180.73 1h7x h LYS 34 N 1.28 0.67 -0.94 0.00 1.79 -0.80 -1.50 116.57 117.06 1h7x h LYS 34 Ca 0.37 -0.21 0.05 0.00 -2.18 0.00 0.00 60.65 58.68 1h7x h LYS 34 Cb -0.09 -0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 30.44 1h7x h LYS 34 CO -0.09 0.76 0.62 0.87 -1.08 0.00 0.00 179.45 180.53 1h7x h LYS 35 N 0.49 1.11 0.00 3.15 1.57 -0.64 -1.09 116.57 121.16 1h7x h LYS 35 Ca 0.11 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 1h7x h LYS 35 Cb 0.46 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1h7x h LYS 35 CO 0.02 0.74 -0.52 -0.07 -0.57 0.00 0.00 179.45 179.04 1h7x h LEU 36 N 1.15 0.00 0.00 2.94 3.38 -1.07 -3.28 115.31 118.42 1h7x h LEU 36 Ca 0.39 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.19 1h7x h LEU 36 Cb 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1h7x h LEU 36 CO -0.13 0.52 -1.29 -0.78 0.09 0.00 0.00 178.44 176.85 1h7x h ASP 37 N 0.00 0.00 -0.69 -0.43 3.58 -0.65 -3.39 116.42 114.84 1h7x h ASP 37 Ca -0.01 0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.56 1h7x h ASP 37 Cb 1.08 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.04 1h7x h ASP 37 CO 0.07 0.61 0.26 0.50 -2.88 0.00 0.00 179.24 177.80 1h7x h LYS 38 N 0.00 0.41 0.00 0.28 3.64 -1.28 -2.26 116.57 117.37 1h7x h LYS 38 Ca -0.14 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1h7x h LYS 38 Cb 1.60 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.32 1h7x h LYS 38 CO 0.05 0.27 -0.02 1.57 -2.27 0.00 0.00 179.45 179.06 1h7x h LYS 39 N 0.43 0.00 -0.04 1.90 -0.00 -1.76 -2.65 116.57 114.45 1h7x h LYS 39 Ca 0.37 0.00 -0.06 0.00 -0.00 0.00 0.00 60.65 60.95 1h7x h LYS 39 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.73 1h7x h LYS 39 CO -0.36 0.02 -0.26 1.25 -0.00 0.00 0.00 179.45 180.09 1h7x h HIS 40 N 0.00 0.07 -0.01 0.07 2.76 -1.66 -3.20 115.15 113.16 1h7x h HIS 40 Ca -0.00 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1h7x h HIS 40 Cb 0.04 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 28.99 1h7x h HIS 40 CO 0.00 0.32 -0.28 0.91 -1.30 0.00 0.00 177.93 177.58 1h7x n TRP 41 N -4.20 0.00 -1.68 5.26 7.02 -1.01 -3.71 117.44 119.12 1h7x n TRP 41 Ca -0.02 0.00 -0.55 0.00 -1.02 0.00 0.00 57.50 55.91 1h7x n TRP 41 Cb 0.33 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.15 1h7x n TRP 41 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1h7x n LYS 42 N 0.17 1.25 -0.10 -0.99 3.00 -1.16 -4.42 118.16 115.91 1h7x n LYS 42 Ca 0.08 0.46 -0.19 0.00 -0.00 0.00 0.00 58.31 58.65 1h7x n LYS 42 Cb 0.39 -2.15 -0.08 0.00 0.00 0.00 0.00 35.03 33.19 1h7x n LYS 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1h7x n ARG 43 N 4.77 0.47 -2.31 1.64 5.12 -1.26 -0.06 116.66 125.01 1h7x n ARG 43 Ca 0.24 0.17 -0.26 0.00 -1.93 0.00 0.00 57.85 56.07 1h7x n ARG 43 Cb 0.16 -1.31 0.11 0.00 -1.16 0.00 0.00 32.46 30.27 1h7x n ARG 43 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1h7x s ASN 44 N -6.55 4.19 0.53 0.55 4.22 -1.26 -4.95 114.94 111.67 1h7x s ASN 44 Ca -0.29 0.04 -0.22 0.00 -2.14 0.00 0.00 52.86 50.25 1h7x s ASN 44 Cb 0.10 -0.42 -0.05 0.00 1.28 0.00 0.00 41.25 42.15 1h7x s ASN 44 CO 0.41 -1.99 1.36 -2.84 -2.04 0.00 0.00 177.10 171.99 1h7x s PRO 45 N -5.35 3.24 -0.30 3.55 0.02 -1.26 -4.96 135.00 129.94 1h7x s PRO 45 Ca 0.66 2.23 -0.21 0.00 0.02 0.00 0.00 61.00 63.70 1h7x s PRO 45 Cb -0.07 -2.31 -0.01 0.00 0.02 0.00 0.00 34.50 32.13 1h7x s PRO 45 CO 0.46 -1.11 0.66 0.34 -0.33 0.00 0.00 177.00 177.02 1h7x s ASP 46 N -0.92 6.54 0.62 2.53 -1.08 -1.26 -4.93 116.67 118.16 1h7x s ASP 46 Ca 0.70 0.51 0.37 0.00 -0.52 0.00 0.00 52.55 53.61 1h7x s ASP 46 Cb -0.40 -2.35 2.04 0.00 -1.46 0.00 0.00 42.92 40.76 1h7x s ASP 46 CO 0.48 -0.49 2.27 0.07 0.52 0.00 0.00 175.17 178.02 1h7x h LYS 47 N 8.13 0.00 0.00 4.34 2.10 -2.04 -1.20 116.57 127.90 1h7x h LYS 47 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1h7x h LYS 47 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1h7x h LYS 47 CO 0.81 0.02 -0.42 0.09 -2.00 0.00 0.00 179.45 177.95 1h7x n ASN 48 N -3.39 0.50 -4.68 7.07 3.02 -1.26 -4.79 115.26 111.72 1h7x n ASN 48 Ca -0.03 0.06 -0.41 0.00 -0.03 0.00 0.00 54.58 54.18 1h7x n ASN 48 Cb 0.11 0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.26 1h7x n ASN 48 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h7x h PHE 50 N 7.17 0.08 -3.17 0.00 0.04 -1.86 -3.45 116.94 115.75 1h7x h PHE 50 Ca -0.32 -0.06 -0.59 0.00 2.80 0.00 0.00 57.97 59.79 1h7x h PHE 50 Cb 1.15 -0.00 -0.36 0.00 2.20 0.00 0.00 35.95 38.94 1h7x h PHE 50 CO 0.70 1.30 -0.83 -1.58 -0.60 0.00 0.00 178.31 177.29 1h7x s HIS 51 N -2.32 2.07 0.70 -0.55 2.46 -1.26 -4.81 115.29 111.58 1h7x s HIS 51 Ca -0.23 -1.10 -0.09 0.00 0.47 0.00 0.00 55.06 54.10 1h7x s HIS 51 Cb 0.02 -1.52 0.16 0.00 -0.13 0.00 0.00 32.58 31.10 1h7x s HIS 51 CO 0.66 -0.60 0.95 0.00 -2.47 0.00 0.00 174.74 173.29 1h7x n GLU 53 N -2.96 0.04 -1.86 0.00 -0.58 -1.26 -4.95 120.64 109.06 1h7x n GLU 53 Ca 0.13 0.02 -0.38 0.00 -0.42 0.00 0.00 57.16 56.50 1h7x n GLU 53 Cb 0.45 -1.08 0.03 0.00 -0.57 0.00 0.00 31.44 30.27 1h7x n GLU 53 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1h7x s LYS 54 N -1.37 3.31 -0.02 3.49 2.20 -1.26 -4.98 119.74 121.10 1h7x s LYS 54 Ca 0.54 2.18 0.03 0.00 -0.36 0.00 0.00 55.97 58.36 1h7x s LYS 54 Cb -0.42 -2.33 0.04 0.00 -1.51 0.00 0.00 37.83 33.61 1h7x s LYS 54 CO 0.69 -1.04 0.84 1.28 -0.36 0.00 0.00 175.35 176.76 1h7x n LEU 55 N -0.83 0.67 -4.70 5.43 4.77 -1.26 -4.87 117.00 116.21 1h7x n LEU 55 Ca 0.09 -1.10 -0.42 0.00 -0.03 0.00 0.00 56.01 54.55 1h7x n LEU 55 Cb 0.45 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1h7x n LEU 55 CO 0.53 0.27 1.40 -0.70 -1.33 0.00 0.00 177.39 177.55 1h7x s GLU 56 N -0.58 4.16 -2.05 3.23 2.12 -1.24 -1.69 118.70 122.64 1h7x s GLU 56 Ca 0.05 2.51 0.00 0.00 0.36 0.00 0.00 54.97 57.89 1h7x s GLU 56 Cb 0.04 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 30.96 1h7x s GLU 56 CO 0.00 -0.78 0.00 -1.71 -0.54 0.00 0.00 175.26 172.24 1h7x n ASN 57 N 5.22 -5.67 -4.29 -1.70 5.15 0.69 -4.55 115.26 110.11 1h7x n ASN 57 Ca 0.17 0.31 -0.42 0.00 -0.60 0.00 0.00 54.58 54.04 1h7x n ASN 57 Cb 0.38 -4.89 -0.09 0.00 -0.53 0.00 0.00 39.78 34.66 1h7x n ASN 57 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1h7x s ASN 58 N -2.49 5.82 -0.29 1.20 3.84 -0.68 -4.87 114.94 117.47 1h7x s ASN 58 Ca 0.00 -1.59 0.10 0.00 0.21 0.00 0.00 52.86 51.58 1h7x s ASN 58 Cb 0.00 -2.06 0.57 0.00 -0.55 0.00 0.00 41.25 39.21 1h7x s ASN 58 CO 0.00 -0.63 1.57 0.49 -2.79 0.00 0.00 177.10 175.74 1h7x n PHE 59 N 5.01 1.52 -1.99 0.43 3.01 -1.26 -4.93 117.46 119.24 1h7x n PHE 59 Ca -0.10 -1.39 -0.35 0.00 1.01 0.00 0.00 57.45 56.61 1h7x n PHE 59 Cb 0.42 -0.54 0.03 0.00 -0.01 0.00 0.00 39.48 39.39 1h7x n PHE 59 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1h7x s ASP 60 N -2.00 5.20 0.08 4.37 1.01 -1.26 -3.87 116.67 120.20 1h7x s ASP 60 Ca 0.47 2.32 -0.34 0.00 0.71 0.00 0.00 52.55 55.71 1h7x s ASP 60 Cb 0.40 -2.59 -0.13 0.00 1.01 0.00 0.00 42.92 41.61 1h7x s ASP 60 CO 0.06 -1.58 1.68 -0.67 0.21 0.00 0.00 175.17 174.86 1h7x n ASP 61 N -1.69 3.23 -0.38 0.27 2.03 -1.26 -4.68 116.55 114.07 1h7x n ASP 61 Ca 0.13 1.05 0.04 0.00 0.52 0.00 0.00 54.79 56.53 1h7x n ASP 61 Cb 0.50 -1.41 0.07 0.00 -0.72 0.00 0.00 41.12 39.55 1h7x n ASP 61 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1h7x n ILE 62 N 3.98 0.43 -1.96 5.18 -5.35 -0.67 -5.03 119.36 115.94 1h7x n ILE 62 Ca 0.19 -0.72 -0.41 0.00 -0.27 0.00 0.00 62.75 61.54 1h7x n ILE 62 Cb 0.29 0.88 -0.02 0.00 -1.74 0.00 0.00 39.64 39.05 1h7x n ILE 62 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1h7x s LYS 63 N -0.81 4.24 0.19 6.28 1.02 -1.26 -4.89 119.74 124.50 1h7x s LYS 63 Ca 0.12 2.37 0.26 0.00 0.02 0.00 0.00 55.97 58.74 1h7x s LYS 63 Cb 0.07 -3.08 0.72 0.00 -0.52 0.00 0.00 37.83 35.03 1h7x s LYS 63 CO 0.11 -0.44 1.69 0.72 -0.92 0.00 0.00 175.35 176.50 1h7x n HIS 64 N 1.94 0.86 1.07 3.18 8.25 -1.26 -3.80 115.22 125.46 1h7x n HIS 64 Ca 0.06 0.25 0.12 0.00 -0.26 0.00 0.00 57.72 57.89 1h7x n HIS 64 Cb 0.40 -0.89 0.26 0.00 1.12 0.00 0.00 29.99 30.89 1h7x n HIS 64 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1h7x n THR 65 N -2.23 0.00 -1.74 1.59 -2.24 -1.26 -4.93 114.28 103.47 1h7x n THR 65 Ca 0.05 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 1h7x n THR 65 Cb 0.43 0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 68.99 1h7x n THR 65 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1h7x n THR 66 N -1.22 0.89 -4.47 4.28 -1.04 -1.25 -3.96 114.28 107.51 1h7x n THR 66 Ca 0.08 -0.22 -0.25 0.00 -2.04 0.00 0.00 64.05 61.61 1h7x n THR 66 Cb 0.34 -1.92 -0.13 0.00 -1.82 0.00 0.00 70.33 66.79 1h7x n THR 66 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1h7x s LEU 67 N -0.23 2.24 0.53 -4.42 1.43 -1.26 -4.86 118.68 112.11 1h7x s LEU 67 Ca 0.66 -0.61 0.09 0.00 -1.03 0.00 0.00 54.13 53.23 1h7x s LEU 67 Cb -0.51 -0.96 0.06 0.00 0.03 0.00 0.00 46.19 44.81 1h7x s LEU 67 CO 0.47 0.12 0.69 -0.83 0.23 0.00 0.00 176.35 177.02 1h7x s GLY 68 N -1.56 1.86 0.14 -3.19 0.00 -1.26 -4.77 107.32 98.54 1h7x s GLY 68 Ca 0.07 -1.95 -0.17 0.00 0.00 0.00 0.00 44.72 42.68 1h7x s GLY 68 CO 0.03 -1.67 1.77 -2.09 0.00 0.00 0.00 173.10 171.14 1h7x h GLU 69 N 0.38 0.30 -0.19 2.90 4.81 -1.98 0.81 114.58 121.61 1h7x h GLU 69 Ca -0.33 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 58.93 1h7x h GLU 69 Cb 1.29 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.55 1h7x h GLU 69 CO 0.44 0.20 -0.13 -0.09 -0.73 0.00 0.00 179.01 178.70 1h7x h ARG 70 N 0.31 -0.13 -0.36 1.92 2.43 -1.97 -0.29 114.38 116.29 1h7x h ARG 70 Ca 0.13 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.21 1h7x h ARG 70 Cb 0.05 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1h7x h ARG 70 CO -0.10 -0.09 -0.19 0.78 -1.51 0.00 0.00 179.97 178.87 1h7x h GLY 71 N -0.13 0.73 1.01 2.80 0.00 -1.90 -2.77 103.07 102.81 1h7x h GLY 71 Ca 0.11 -0.59 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 1h7x h GLY 71 CO -0.27 0.54 0.00 0.00 0.00 0.00 0.00 176.54 176.81 1h7x h ALA 72 N 1.19 0.67 -0.59 3.60 0.00 -0.43 -1.96 119.26 121.73 1h7x h ALA 72 Ca 0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1h7x h ALA 72 Cb 0.66 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1h7x h ALA 72 CO 0.05 0.47 0.25 -0.07 0.00 0.00 0.00 179.25 179.95 1h7x h LEU 73 N 0.73 0.80 -0.32 0.00 3.38 -0.98 0.78 115.31 119.70 1h7x h LEU 73 Ca 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1h7x h LEU 73 Cb 0.51 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1h7x h LEU 73 CO 0.02 0.74 0.13 0.03 0.09 0.00 0.00 178.44 179.45 1h7x h ARG 74 N 0.81 0.48 -0.39 1.13 3.08 -1.39 -1.42 114.38 116.68 1h7x h ARG 74 Ca 0.20 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 60.05 1h7x h ARG 74 Cb 0.17 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1h7x h ARG 74 CO -0.02 0.48 -0.22 1.49 -1.07 0.00 0.00 179.97 180.63 1h7x h GLU 75 N 0.37 0.78 -0.29 0.04 4.57 -1.18 -2.27 114.58 116.61 1h7x h GLU 75 Ca 0.11 -0.32 -0.09 0.00 -1.18 0.00 0.00 59.36 57.88 1h7x h GLU 75 Cb 0.18 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1h7x h GLU 75 CO -0.01 0.93 -0.21 0.00 -1.18 0.00 0.00 179.01 178.54 1h7x h ALA 76 N 1.06 1.10 0.00 2.92 0.00 -0.71 -2.46 119.26 121.17 1h7x h ALA 76 Ca 0.09 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1h7x h ALA 76 Cb 0.74 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1h7x h ALA 76 CO 0.06 0.55 -0.45 0.52 0.00 0.00 0.00 179.25 179.93 1h7x h MET 77 N 0.48 0.00 -0.04 0.00 2.86 -1.06 -3.12 114.93 114.05 1h7x h MET 77 Ca 0.07 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.55 1h7x h MET 77 Cb 0.63 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1h7x h MET 77 CO 0.04 0.45 -0.70 -0.09 1.06 0.00 0.00 176.91 177.67 1h7x h ARG 78 N 0.00 0.21 -6.58 1.72 2.43 -0.96 -3.45 114.38 107.74 1h7x h ARG 78 Ca -0.00 -0.17 -0.58 0.00 -0.81 0.00 0.00 59.98 58.42 1h7x h ARG 78 Cb 0.94 0.04 0.07 0.00 -0.42 0.00 0.00 29.97 30.60 1h7x h ARG 78 CO 0.06 0.83 0.70 0.00 -1.51 0.00 0.00 179.97 180.05 1h7x h LEU 80 N 4.86 0.00 -2.43 0.00 3.38 -1.89 -3.45 115.31 115.78 1h7x h LEU 80 Ca -0.45 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.12 1h7x h LEU 80 Cb 1.26 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.10 1h7x h LEU 80 CO 0.81 0.00 -0.88 0.29 0.09 0.00 0.00 178.44 178.75 1h7x n LYS 81 N -2.34 -3.00 -1.54 1.13 5.02 -1.26 -4.85 118.16 111.32 1h7x n LYS 81 Ca 0.03 0.59 -0.35 0.00 -2.02 0.00 0.00 58.31 56.56 1h7x n LYS 81 Cb 0.31 -4.85 0.08 0.00 -0.02 0.00 0.00 35.03 30.55 1h7x n LYS 81 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1h7x s ALA 83 N -1.85 3.14 -1.74 0.00 0.00 -1.26 -3.63 121.76 116.42 1h7x s ALA 83 Ca 0.76 0.48 -0.16 0.00 0.00 0.00 0.00 51.96 53.03 1h7x s ALA 83 Cb -0.31 -3.17 0.15 0.00 0.00 0.00 0.00 23.12 19.80 1h7x s ALA 83 CO 0.43 0.15 0.52 -3.47 0.00 0.00 0.00 175.76 173.40 1h7x n ASP 84 N 0.07 -1.58 -4.63 0.00 2.03 -1.26 -4.66 116.55 106.52 1h7x n ASP 84 Ca 0.04 -1.17 -0.63 0.00 0.52 0.00 0.00 54.79 53.55 1h7x n ASP 84 Cb 0.52 -2.02 -0.09 0.00 -0.72 0.00 0.00 41.12 38.81 1h7x n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h7x n ALA 85 N -4.27 -2.24 0.21 -1.67 0.00 -1.24 -4.89 120.51 106.40 1h7x n ALA 85 Ca -0.01 0.54 0.07 0.00 0.00 0.00 0.00 53.44 54.03 1h7x n ALA 85 Cb 0.53 -1.88 0.46 0.00 0.00 0.00 0.00 19.45 18.55 1h7x n ALA 85 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1h7x h PRO 86 N 4.26 0.00 -0.44 0.00 0.13 -1.83 -2.49 132.00 131.64 1h7x h PRO 86 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 1h7x h PRO 86 Cb 1.39 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.50 1h7x h PRO 86 CO 0.83 0.30 0.08 0.00 -0.23 0.00 0.00 178.00 178.98 1h7x h GLN 88 N 0.58 1.05 -0.24 0.00 4.15 -1.73 -1.98 115.11 116.95 1h7x h GLN 88 Ca 0.14 -0.27 -0.02 0.00 0.77 0.00 0.00 58.65 59.27 1h7x h GLN 88 Cb 0.36 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 1h7x h GLN 88 CO 0.01 0.97 0.07 0.87 -1.93 0.00 0.00 178.83 178.82 1h7x h LYS 89 N 0.99 0.34 -0.06 1.69 1.79 -1.17 -2.11 116.57 118.03 1h7x h LYS 89 Ca 0.20 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1h7x h LYS 89 Cb 0.42 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1h7x h LYS 89 CO 0.01 0.30 0.00 0.43 -1.08 0.00 0.00 179.45 179.11 1h7x n SER 90 N -4.41 1.28 -4.62 0.86 7.64 -0.38 -4.81 113.62 109.18 1h7x n SER 90 Ca 0.01 -1.51 -0.38 0.00 1.01 0.00 0.00 58.87 57.99 1h7x n SER 90 Cb 0.14 -0.04 -0.10 0.00 -1.01 0.00 0.00 64.21 63.21 1h7x n SER 90 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h7x h PRO 92 N 8.01 0.00 -0.70 0.00 0.11 -1.87 0.83 132.00 138.37 1h7x h PRO 92 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1h7x h PRO 92 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1h7x h PRO 92 CO 0.63 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.67 1h7x n THR 93 N -4.00 1.08 -3.95 -1.15 -2.24 -1.26 -4.84 114.28 97.92 1h7x n THR 93 Ca 0.08 -1.02 -0.31 0.00 -2.27 0.00 0.00 64.05 60.53 1h7x n THR 93 Cb 0.58 0.46 0.02 0.00 -2.10 0.00 0.00 70.33 69.29 1h7x n THR 93 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1h7x n HIS 94 N 1.52 -2.20 -1.80 4.78 -0.00 0.28 -4.80 115.22 112.99 1h7x n HIS 94 Ca 0.24 0.89 -0.41 0.00 0.46 0.00 0.00 57.72 58.89 1h7x n HIS 94 Cb 0.63 -3.84 -0.00 0.00 -0.12 0.00 0.00 29.99 26.66 1h7x n HIS 94 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1h7x s LEU 95 N -7.26 4.32 -1.32 0.27 1.02 -1.26 -4.86 118.68 109.60 1h7x s LEU 95 Ca 0.64 3.04 -0.17 0.00 0.02 0.00 0.00 54.13 57.66 1h7x s LEU 95 Cb -0.33 -3.66 0.08 0.00 0.02 0.00 0.00 46.19 42.30 1h7x s LEU 95 CO 0.85 -0.88 1.79 -0.67 0.02 0.00 0.00 176.35 177.46 1h7x n ASP 96 N 0.66 4.81 -0.33 2.29 -0.08 -1.26 -4.55 116.55 118.09 1h7x n ASP 96 Ca 0.02 -2.92 -0.03 0.00 -1.51 0.00 0.00 54.79 50.35 1h7x n ASP 96 Cb 0.39 -1.71 0.09 0.00 2.34 0.00 0.00 41.12 42.22 1h7x n ASP 96 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1h7x h ILE 97 N 5.21 1.23 -0.37 5.18 2.04 -1.96 -1.43 117.51 127.41 1h7x h ILE 97 Ca 0.45 -0.41 0.07 0.00 1.00 0.00 0.00 64.86 65.97 1h7x h ILE 97 Cb 0.83 -0.07 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 1h7x h ILE 97 CO 1.51 0.22 0.00 0.50 0.00 0.00 0.00 178.15 180.38 1h7x h LYS 98 N 1.20 0.10 -0.25 2.37 3.64 -1.89 -0.93 116.57 120.81 1h7x h LYS 98 Ca 0.32 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.59 1h7x h LYS 98 Cb -0.14 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1h7x h LYS 98 CO -0.07 0.07 -0.28 0.77 -2.27 0.00 0.00 179.45 177.67 1h7x h SER 99 N 0.11 0.68 0.18 4.20 0.02 -1.85 -1.92 113.55 114.96 1h7x h SER 99 Ca 0.18 -0.48 -0.11 0.00 -0.84 0.00 0.00 61.79 60.53 1h7x h SER 99 Cb 0.25 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1h7x h SER 99 CO -0.30 1.02 -0.41 2.19 -1.14 0.00 0.00 176.83 178.20 1h7x h PHE 100 N 0.34 0.35 -0.05 3.45 -5.15 -1.10 -1.71 116.94 113.08 1h7x h PHE 100 Ca 0.04 -0.10 -0.17 0.00 -0.20 0.00 0.00 57.97 57.54 1h7x h PHE 100 Cb 0.84 -0.08 -0.01 0.00 0.22 0.00 0.00 35.95 36.92 1h7x h PHE 100 CO 0.08 0.67 -0.72 0.82 -2.00 0.00 0.00 178.31 177.16 1h7x h ILE 101 N 0.25 1.42 -0.51 0.88 2.04 -1.19 -2.17 117.51 118.23 1h7x h ILE 101 Ca 0.02 -2.22 -0.02 0.00 1.00 0.00 0.00 64.86 63.65 1h7x h ILE 101 Cb 0.83 2.17 -0.02 0.00 -0.74 0.00 0.00 36.82 39.06 1h7x h ILE 101 CO 0.07 0.65 0.24 0.74 0.00 0.00 0.00 178.15 179.85 1h7x h THR 102 N 0.17 1.20 -0.59 -0.27 2.02 -1.04 -1.14 112.91 113.26 1h7x h THR 102 Ca -0.02 -0.57 0.03 0.00 0.77 0.00 0.00 66.41 66.61 1h7x h THR 102 Cb 1.27 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 68.28 1h7x h THR 102 CO 0.11 0.22 0.36 0.28 0.37 0.00 0.00 175.52 176.86 1h7x h SER 103 N 0.68 0.58 -0.61 4.18 0.02 -1.12 -1.77 113.55 115.51 1h7x h SER 103 Ca 0.17 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1h7x h SER 103 Cb 0.13 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1h7x h SER 103 CO -0.02 0.40 0.36 0.40 -1.14 0.00 0.00 176.83 176.84 1h7x h ILE 104 N 0.70 1.18 0.00 3.27 2.04 -1.00 0.13 117.51 123.83 1h7x h ILE 104 Ca 0.24 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1h7x h ILE 104 Cb 0.03 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1h7x h ILE 104 CO -0.10 0.19 -0.06 0.77 0.00 0.00 0.00 178.15 178.95 1h7x h SER 105 N 0.82 0.00 -0.57 1.72 4.64 -0.64 -0.09 113.55 119.44 1h7x h SER 105 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1h7x h SER 105 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1h7x h SER 105 CO -0.04 0.06 0.00 0.59 -0.87 0.00 0.00 176.83 176.57 1h7x n ASN 106 N -3.87 3.86 -1.00 4.97 3.02 -0.61 -4.92 115.26 116.71 1h7x n ASN 106 Ca -0.03 -2.27 -0.13 0.00 -0.03 0.00 0.00 54.58 52.12 1h7x n ASN 106 Cb 0.15 -0.50 -0.06 0.00 -0.61 0.00 0.00 39.78 38.77 1h7x n ASN 106 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1h7x n LYS 107 N 1.03 -1.29 -3.07 3.52 5.02 -0.04 -4.65 118.16 118.67 1h7x n LYS 107 Ca 0.21 0.94 -0.44 0.00 -2.02 0.00 0.00 58.31 57.00 1h7x n LYS 107 Cb 0.70 -5.16 0.00 0.00 -0.02 0.00 0.00 35.03 30.56 1h7x n LYS 107 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1h7x n ASN 108 N -0.77 5.63 0.08 4.39 5.15 0.34 -4.71 115.26 125.37 1h7x n ASN 108 Ca -0.13 -3.12 -0.00 0.00 -0.60 0.00 0.00 54.58 50.72 1h7x n ASN 108 Cb 0.52 -1.40 0.29 0.00 -0.53 0.00 0.00 39.78 38.66 1h7x n ASN 108 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1h7x h TYR 109 N 6.36 0.34 0.06 1.20 0.05 -1.90 -2.38 116.97 120.70 1h7x h TYR 109 Ca 0.24 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.95 1h7x h TYR 109 Cb 0.78 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.44 1h7x h TYR 109 CO 0.94 0.52 -0.03 -0.92 -1.05 0.00 0.00 178.16 177.62 1h7x h TYR 110 N 0.28 -0.07 -0.97 4.88 3.20 -1.88 -0.57 116.97 121.84 1h7x h TYR 110 Ca 0.05 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.98 1h7x h TYR 110 Cb 0.56 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.80 1h7x h TYR 110 CO 0.01 0.08 0.63 0.78 -1.64 0.00 0.00 178.16 178.02 1h7x h GLY 111 N -0.21 1.46 0.85 1.82 0.00 -1.81 0.83 103.07 106.00 1h7x h GLY 111 Ca -0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 1h7x h GLY 111 CO 0.01 0.34 0.04 0.00 0.00 0.00 0.00 176.54 176.93 1h7x h ALA 112 N 1.47 0.29 -0.72 3.60 0.00 -1.19 -1.84 119.26 120.88 1h7x h ALA 112 Ca 0.42 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1h7x h ALA 112 Cb 0.16 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1h7x h ALA 112 CO -0.16 -0.03 0.36 0.00 0.00 0.00 0.00 179.25 179.42 1h7x h ALA 113 N 0.85 0.92 -0.71 0.00 0.00 -0.44 -0.76 119.26 119.12 1h7x h ALA 113 Ca 0.07 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1h7x h ALA 113 Cb 0.31 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1h7x h ALA 113 CO 0.00 0.47 0.47 -0.22 0.00 0.00 0.00 179.25 179.97 1h7x h LYS 114 N 1.00 0.94 -0.39 0.00 3.64 -0.74 0.13 116.57 121.13 1h7x h LYS 114 Ca 0.25 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1h7x h LYS 114 Cb 0.09 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1h7x h LYS 114 CO -0.03 0.63 0.07 1.98 -2.27 0.00 0.00 179.45 179.82 1h7x h MET 115 N 0.96 0.65 0.40 1.90 4.05 -0.95 -0.95 114.93 120.99 1h7x h MET 115 Ca 0.26 -0.17 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 1h7x h MET 115 Cb -0.10 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.62 1h7x h MET 115 CO -0.06 0.70 -0.19 0.82 0.23 0.00 0.00 176.91 178.41 1h7x h ILE 116 N 0.50 0.61 0.00 1.77 2.04 -0.69 -3.02 117.51 118.72 1h7x h ILE 116 Ca 0.12 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 1h7x h ILE 116 Cb 0.36 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1h7x h ILE 116 CO 0.01 0.02 -0.09 -0.26 0.00 0.00 0.00 178.15 177.82 1h7x h PHE 117 N -0.59 0.00 -0.95 1.37 -1.00 -0.75 -1.04 116.94 113.98 1h7x h PHE 117 Ca -0.06 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.74 1h7x h PHE 117 Cb 0.44 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.95 1h7x h PHE 117 CO -0.04 0.09 0.63 0.77 -1.61 0.00 0.00 178.31 178.15 1h7x h SER 118 N 0.00 1.07 0.00 2.17 0.02 -1.03 -3.05 113.55 112.73 1h7x h SER 118 Ca -0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1h7x h SER 118 Cb 0.51 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1h7x h SER 118 CO 0.01 0.77 -1.07 0.47 -1.14 0.00 0.00 176.83 175.87 1h7x n ASP 119 N -4.41 0.83 -3.41 3.07 8.00 -1.07 -4.52 116.55 115.04 1h7x n ASP 119 Ca 0.12 -0.76 -0.18 0.00 0.71 0.00 0.00 54.79 54.68 1h7x n ASP 119 Cb 0.04 1.17 -0.10 0.00 -0.02 0.00 0.00 41.12 42.21 1h7x n ASP 119 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1h7x s ASN 120 N -3.03 1.78 0.49 -2.24 3.84 -0.42 -4.87 114.94 110.50 1h7x s ASN 120 Ca 0.04 -0.77 0.32 0.00 0.21 0.00 0.00 52.86 52.66 1h7x s ASN 120 Cb 0.14 0.45 1.72 0.00 -0.55 0.00 0.00 41.25 43.00 1h7x s ASN 120 CO 0.77 -0.39 1.96 -0.65 -2.79 0.00 0.00 177.10 176.00 1h7x h PRO 121 N 8.27 0.00 -1.05 0.43 0.11 -1.83 -1.05 132.00 136.89 1h7x h PRO 121 Ca -0.14 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.37 1h7x h PRO 121 Cb 1.07 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.80 1h7x h PRO 121 CO 0.34 0.00 -0.32 1.28 -0.21 0.00 0.00 178.00 179.09 1h7x n LEU 122 N -2.64 5.65 -0.30 2.35 4.32 -1.26 -4.85 117.00 120.27 1h7x n LEU 122 Ca -0.02 -4.76 0.10 0.00 -0.02 0.00 0.00 56.01 51.31 1h7x n LEU 122 Cb 0.09 -0.55 0.32 0.00 -1.62 0.00 0.00 43.42 41.67 1h7x n LEU 122 CO 0.14 1.98 1.23 1.23 -1.22 0.00 0.00 177.39 180.75 1h7x h GLY 123 N 2.28 1.37 0.56 -0.72 0.00 -1.50 -1.41 103.07 103.66 1h7x h GLY 123 Ca 0.42 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 1h7x h GLY 123 CO 1.00 0.13 -0.18 -2.00 0.00 0.00 0.00 176.54 175.49 1h7x h LEU 124 N 0.82 0.24 -0.23 3.11 5.85 -1.88 -1.66 115.31 121.56 1h7x h LEU 124 Ca 0.46 -0.63 0.05 0.00 0.84 0.00 0.00 57.88 58.60 1h7x h LEU 124 Cb 0.60 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1h7x h LEU 124 CO -0.22 0.83 -0.11 0.74 -0.34 0.00 0.00 178.44 179.33 1h7x h THR 125 N -0.34 0.65 -0.81 1.05 2.02 -1.84 -2.34 112.91 111.30 1h7x h THR 125 Ca -0.01 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 1h7x h THR 125 Cb 0.81 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 1h7x h THR 125 CO 0.04 0.00 0.36 0.00 0.37 0.00 0.00 175.52 176.29 1h7x h GLY 127 N 1.17 0.74 1.46 0.00 0.00 -0.88 0.79 103.07 106.35 1h7x h GLY 127 Ca 0.28 -0.22 -0.30 0.00 0.00 0.00 0.00 47.33 47.09 1h7x h GLY 127 CO -0.03 0.15 -1.36 -0.33 0.00 0.00 0.00 176.54 174.96 1h7x h MET 128 N 0.55 0.34 0.00 4.80 2.86 -0.77 -3.38 114.93 119.33 1h7x h MET 128 Ca 0.29 -0.59 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1h7x h MET 128 Cb 0.43 0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1h7x h MET 128 CO -0.09 1.27 -0.46 1.33 1.06 0.00 0.00 176.91 180.02 1h7x n VAL 129 N -3.57 0.00 -1.70 -2.22 0.24 -0.11 -4.96 118.33 106.02 1h7x n VAL 129 Ca -0.12 -0.29 -0.44 0.00 -2.04 0.00 0.00 64.34 61.45 1h7x n VAL 129 Cb 1.05 0.97 -0.03 0.00 -1.47 0.00 0.00 33.84 34.36 1h7x n VAL 129 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1h7x n PRO 131 N 2.58 3.13 -0.33 0.00 -0.04 -1.26 -4.79 135.00 134.28 1h7x n PRO 131 Ca 0.12 -2.98 0.25 0.00 -0.04 0.00 0.00 63.50 60.86 1h7x n PRO 131 Cb 0.33 -3.19 0.55 0.00 -0.04 0.00 0.00 33.50 31.14 1h7x n PRO 131 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1h7x h THR 132 N 4.08 0.48 0.00 0.52 1.35 -1.95 -0.39 112.91 117.01 1h7x h THR 132 Ca 0.50 -0.11 -0.00 0.00 -0.55 0.00 0.00 66.41 66.25 1h7x h THR 132 Cb 0.66 0.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.22 1h7x h THR 132 CO 1.75 0.06 -0.01 0.77 -0.25 0.00 0.00 175.52 177.85 1h7x h SER 133 N 0.32 0.00 -0.41 5.36 4.64 -1.91 0.16 113.55 121.71 1h7x h SER 133 Ca 0.61 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.93 1h7x h SER 133 Cb 1.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 1h7x h SER 133 CO -0.27 0.01 0.00 -0.67 -0.87 0.00 0.00 176.83 175.02 1h7x n ASP 134 N -3.61 3.27 0.00 4.97 2.03 -0.17 -3.79 116.55 119.26 1h7x n ASP 134 Ca -0.03 -1.93 0.00 0.00 0.52 0.00 0.00 54.79 53.35 1h7x n ASP 134 Cb 0.09 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 1h7x n ASP 134 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1h7x n LEU 135 N 1.18 0.00 -0.06 -2.67 4.77 0.52 -4.91 117.00 115.83 1h7x n LEU 135 Ca 0.17 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.07 1h7x n LEU 135 Cb 0.53 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 1h7x n LEU 135 CO 0.13 0.00 0.67 0.00 -1.33 0.00 0.00 177.39 176.86 1h7x h VAL 137 N -0.28 0.92 0.00 0.00 2.07 -1.74 -2.09 116.25 115.13 1h7x h VAL 137 Ca 0.14 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1h7x h VAL 137 Cb 0.50 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1h7x h VAL 137 CO -0.42 0.06 0.00 1.23 0.02 0.00 0.00 177.57 178.46 1h7x h GLY 138 N 0.22 0.00 -1.00 2.17 0.00 -0.91 -2.42 103.07 101.13 1h7x h GLY 138 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1h7x h GLY 138 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 1h7x n GLY 139 N -0.74 1.36 3.70 4.60 0.00 -0.79 -5.01 105.19 108.30 1h7x n GLY 139 Ca -0.02 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1h7x n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h7x h ASN 141 N 7.98 0.13 0.11 0.00 2.35 -1.94 -1.76 115.58 122.44 1h7x h ASN 141 Ca -0.45 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1h7x h ASN 141 Cb 1.21 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.55 1h7x h ASN 141 CO 0.95 0.11 0.00 0.18 -1.65 0.00 0.00 177.43 177.01 1h7x n LEU 142 N -4.51 0.00 0.28 1.61 4.77 -1.26 -1.09 117.00 116.80 1h7x n LEU 142 Ca -0.01 0.14 0.16 0.00 -0.03 0.00 0.00 56.01 56.26 1h7x n LEU 142 Cb 0.09 -0.14 0.79 0.00 -2.33 0.00 0.00 43.42 41.83 1h7x n LEU 142 CO 0.35 -0.09 1.01 0.22 -1.33 0.00 0.00 177.39 177.54 1h7x h TYR 143 N 0.00 0.00 -0.01 -1.77 3.20 -1.54 -1.75 116.97 115.10 1h7x h TYR 143 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1h7x h TYR 143 Cb 0.05 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1h7x h TYR 143 CO 0.00 0.07 0.00 0.00 -1.64 0.00 0.00 178.16 176.59 1h7x n ALA 144 N -2.18 2.50 -2.44 1.82 0.00 -0.25 -4.76 120.51 115.20 1h7x n ALA 144 Ca -0.01 -0.02 -0.23 0.00 0.00 0.00 0.00 53.44 53.18 1h7x n ALA 144 Cb 0.24 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.58 1h7x n ALA 144 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1h7x s THR 145 N -1.76 2.03 0.26 0.00 -4.23 -0.66 -5.04 115.64 106.24 1h7x s THR 145 Ca 0.01 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 1h7x s THR 145 Cb 0.00 -1.97 0.26 0.00 1.34 0.00 0.00 72.50 72.13 1h7x s THR 145 CO 0.00 -0.27 1.86 -0.33 -0.54 0.00 0.00 174.62 175.34 1h7x h GLU 146 N 3.14 1.04 0.00 3.99 3.07 -1.86 -1.21 114.58 122.75 1h7x h GLU 146 Ca -0.43 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 1h7x h GLU 146 Cb 1.21 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 28.89 1h7x h GLU 146 CO 0.51 0.69 0.00 1.05 -1.40 0.00 0.00 179.01 179.86 1h7x h GLU 147 N 1.07 0.00 0.00 2.33 9.09 -1.95 -3.48 114.58 121.64 1h7x h GLU 147 Ca 0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.84 1h7x h GLU 147 Cb 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.34 1h7x h GLU 147 CO -0.20 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.27 1h7x n GLY 148 N -0.37 -0.83 3.68 1.06 0.00 -0.46 -5.00 105.19 103.27 1h7x n GLY 148 Ca -0.01 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 1h7x n GLY 148 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1h7x n SER 149 N -1.18 0.71 -4.77 1.61 7.64 -1.20 -4.48 113.62 111.95 1h7x n SER 149 Ca 0.00 0.51 -0.38 0.00 1.01 0.00 0.00 58.87 60.01 1h7x n SER 149 Cb 0.00 -1.49 -0.05 0.00 -1.01 0.00 0.00 64.21 61.66 1h7x n SER 149 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1h7x s ILE 150 N -2.35 3.75 -1.33 0.44 -1.09 -1.26 -4.95 121.20 114.41 1h7x s ILE 150 Ca 0.70 1.52 -0.16 0.00 -2.23 0.00 0.00 60.65 60.48 1h7x s ILE 150 Cb -0.26 -3.87 0.08 0.00 -1.58 0.00 0.00 42.46 36.82 1h7x s ILE 150 CO 0.54 0.18 1.85 -3.20 -1.23 0.00 0.00 174.94 173.08 1h7x n ASN 151 N 0.55 4.69 -0.17 3.58 5.15 -1.26 -4.77 115.26 123.03 1h7x n ASN 151 Ca 0.02 -2.92 -0.08 0.00 -0.60 0.00 0.00 54.58 51.00 1h7x n ASN 151 Cb 0.48 -1.69 0.01 0.00 -0.53 0.00 0.00 39.78 38.05 1h7x n ASN 151 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1h7x h ILE 152 N 4.91 1.20 -0.35 -1.44 2.04 -1.98 -2.53 117.51 119.36 1h7x h ILE 152 Ca 0.46 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.78 1h7x h ILE 152 Cb 0.79 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 1h7x h ILE 152 CO 1.56 0.22 0.17 1.23 0.00 0.00 0.00 178.15 181.34 1h7x h GLY 153 N 0.64 0.47 1.53 5.37 0.00 -1.86 -0.79 103.07 108.43 1h7x h GLY 153 Ca 0.17 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 1h7x h GLY 153 CO -0.02 0.10 0.04 -1.33 0.00 0.00 0.00 176.54 175.33 1h7x h GLY 154 N 0.36 0.64 1.01 4.60 0.00 -1.66 -0.28 103.07 107.73 1h7x h GLY 154 Ca 0.14 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.98 1h7x h GLY 154 CO -0.10 0.35 -0.29 1.41 0.00 0.00 0.00 176.54 177.91 1h7x h LEU 155 N 0.57 0.82 -0.58 3.11 3.38 -1.05 -0.83 115.31 120.73 1h7x h LEU 155 Ca 0.13 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 1h7x h LEU 155 Cb 0.30 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1h7x h LEU 155 CO 0.01 1.11 0.27 -0.61 0.09 0.00 0.00 178.44 179.30 1h7x h GLN 156 N 0.54 0.84 -0.38 1.13 4.15 -0.82 -2.02 115.11 118.55 1h7x h GLN 156 Ca 0.06 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1h7x h GLN 156 Cb 0.86 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.38 1h7x h GLN 156 CO 0.07 0.69 0.24 0.37 -1.93 0.00 0.00 178.83 178.28 1h7x h GLN 157 N 0.79 0.51 0.22 1.69 4.15 -0.96 -2.03 115.11 119.47 1h7x h GLN 157 Ca 0.20 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 1h7x h GLN 157 Cb 0.13 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.71 1h7x h GLN 157 CO -0.02 0.36 -0.11 0.35 -1.93 0.00 0.00 178.83 177.47 1h7x h PHE 158 N 0.51 -0.29 -0.70 3.99 3.57 -0.78 0.31 116.94 123.54 1h7x h PHE 158 Ca 0.14 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1h7x h PHE 158 Cb -0.03 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 1h7x h PHE 158 CO -0.04 -0.18 0.44 0.00 -2.23 0.00 0.00 178.31 176.30 1h7x h ALA 159 N 0.48 0.89 -0.57 2.41 0.00 -1.36 -1.48 119.26 119.63 1h7x h ALA 159 Ca -0.03 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1h7x h ALA 159 Cb 0.24 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1h7x h ALA 159 CO 0.04 0.35 0.10 0.77 0.00 0.00 0.00 179.25 180.52 1h7x h SER 160 N 0.96 0.85 -0.60 0.00 0.02 -1.21 -1.44 113.55 112.13 1h7x h SER 160 Ca 0.25 -0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 1h7x h SER 160 Cb -0.06 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 1h7x h SER 160 CO -0.05 0.85 0.05 -0.33 -1.14 0.00 0.00 176.83 176.21 1h7x h GLU 161 N 0.86 1.05 -0.35 3.45 4.39 -0.50 0.21 114.58 123.68 1h7x h GLU 161 Ca 0.18 -0.30 -0.05 0.00 0.34 0.00 0.00 59.36 59.52 1h7x h GLU 161 Cb 0.36 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1h7x h GLU 161 CO 0.01 0.99 0.00 0.28 -1.16 0.00 0.00 179.01 179.13 1h7x h VAL 162 N 0.97 1.26 -0.69 3.13 2.07 -0.93 -1.51 116.25 120.55 1h7x h VAL 162 Ca 0.18 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.75 1h7x h VAL 162 Cb 0.49 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1h7x h VAL 162 CO 0.02 0.32 0.45 0.15 0.02 0.00 0.00 177.57 178.53 1h7x h PHE 163 N 0.43 0.85 -0.67 1.57 3.57 -1.04 -1.49 116.94 120.17 1h7x h PHE 163 Ca 0.10 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.68 1h7x h PHE 163 Cb 0.45 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 38.85 1h7x h PHE 163 CO 0.04 0.53 0.37 -0.22 -2.23 0.00 0.00 178.31 176.80 1h7x h LYS 164 N 0.91 0.67 0.00 1.11 3.64 -0.71 -1.31 116.57 120.88 1h7x h LYS 164 Ca 0.26 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1h7x h LYS 164 Cb -0.08 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.58 1h7x h LYS 164 CO -0.07 0.45 -0.15 0.00 -2.27 0.00 0.00 179.45 177.41 1h7x h ALA 165 N 1.34 1.49 0.00 5.00 0.00 -0.37 -2.02 119.26 124.71 1h7x h ALA 165 Ca 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1h7x h ALA 165 Cb 0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1h7x h ALA 165 CO -0.18 0.19 -0.06 0.52 0.00 0.00 0.00 179.25 179.73 1h7x h MET 166 N 0.00 0.00 -5.91 0.00 2.86 -0.27 -3.47 114.93 108.14 1h7x h MET 166 Ca -0.00 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.27 1h7x h MET 166 Cb 0.32 0.00 0.11 0.00 0.06 0.00 0.00 31.60 32.09 1h7x h MET 166 CO 0.02 0.06 -0.85 -1.71 1.06 0.00 0.00 176.91 175.49 1h7x n ASN 167 N -3.24 -3.17 -4.54 1.22 5.15 -0.76 -4.70 115.26 105.23 1h7x n ASN 167 Ca -0.01 -0.80 -0.34 0.00 -0.60 0.00 0.00 54.58 52.84 1h7x n ASN 167 Cb 0.27 -4.35 -0.12 0.00 -0.53 0.00 0.00 39.78 35.05 1h7x n ASN 167 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1h7x s ILE 168 N -3.53 3.77 0.53 -1.44 1.01 -1.26 -1.70 121.20 118.58 1h7x s ILE 168 Ca 0.18 -0.43 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 1h7x s ILE 168 Cb -0.04 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.82 1h7x s ILE 168 CO 0.79 0.55 0.84 -2.16 0.00 0.00 0.00 174.94 174.96 1h7x s PRO 169 N -0.25 3.24 0.25 2.79 0.04 -1.26 -5.03 135.00 134.77 1h7x s PRO 169 Ca 0.04 0.08 -0.16 0.00 0.04 0.00 0.00 61.00 60.99 1h7x s PRO 169 Cb -0.13 -2.33 -0.08 0.00 0.04 0.00 0.00 34.50 32.00 1h7x s PRO 169 CO 0.02 -0.44 0.69 -1.14 0.04 0.00 0.00 177.00 176.17 1h7x s GLN 170 N -4.85 4.09 0.26 4.56 0.74 -1.26 -4.19 119.66 119.00 1h7x s GLN 170 Ca 0.51 0.69 0.08 0.00 0.05 0.00 0.00 55.36 56.68 1h7x s GLN 170 Cb -0.10 -2.71 -0.05 0.00 1.10 0.00 0.00 33.01 31.24 1h7x s GLN 170 CO 0.45 0.32 -0.10 0.96 -0.55 0.00 0.00 175.29 176.37 1h7x s ILE 171 N -1.70 1.77 0.61 -2.34 -4.36 -0.24 -4.71 121.20 110.24 1h7x s ILE 171 Ca 0.46 -2.18 -0.19 0.00 -0.26 0.00 0.00 60.65 58.49 1h7x s ILE 171 Cb -0.14 -2.34 -0.03 0.00 1.25 0.00 0.00 42.46 41.20 1h7x s ILE 171 CO 0.19 -0.38 1.26 -0.60 0.24 0.00 0.00 174.94 175.66 1h7x s ARG 172 N -3.68 2.83 -0.14 0.37 3.52 -1.26 -4.48 118.95 116.11 1h7x s ARG 172 Ca 0.28 1.98 -0.35 0.00 -0.13 0.00 0.00 55.73 57.51 1h7x s ARG 172 Cb 0.02 -1.94 -0.12 0.00 -1.56 0.00 0.00 34.95 31.34 1h7x s ARG 172 CO 0.11 -1.36 1.88 -1.71 -0.81 0.00 0.00 175.30 173.41 1h7x n ASN 173 N -1.63 3.22 0.03 -2.12 5.15 -1.26 -4.86 115.26 113.79 1h7x n ASN 173 Ca 0.14 0.95 0.07 0.00 -0.60 0.00 0.00 54.58 55.14 1h7x n ASN 173 Cb 0.48 -1.33 0.49 0.00 -0.53 0.00 0.00 39.78 38.90 1h7x n ASN 173 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1h7x h PRO 174 N 9.15 0.38 -0.01 1.20 0.11 -1.98 -2.37 132.00 138.48 1h7x h PRO 174 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1h7x h PRO 174 Cb 1.28 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1h7x h PRO 174 CO 0.96 0.25 -0.02 0.00 -0.21 0.00 0.00 178.00 178.98 1h7x s LEU 176 N -2.07 4.04 0.90 0.00 1.43 -0.90 -5.03 118.68 117.05 1h7x s LEU 176 Ca 0.41 1.73 -0.10 0.00 -1.03 0.00 0.00 54.13 55.14 1h7x s LEU 176 Cb 0.21 -4.41 0.14 0.00 0.03 0.00 0.00 46.19 42.16 1h7x s LEU 176 CO 0.37 -0.30 1.13 -2.84 0.23 0.00 0.00 176.35 174.94 1h7x s PRO 177 N -2.90 1.14 0.78 1.29 0.02 -1.26 -4.93 135.00 129.13 1h7x s PRO 177 Ca 0.59 1.41 -0.14 0.00 0.02 0.00 0.00 61.00 62.88 1h7x s PRO 177 Cb -0.12 -1.75 0.06 0.00 0.02 0.00 0.00 34.50 32.71 1h7x s PRO 177 CO 0.16 -2.50 1.19 -1.13 -0.33 0.00 0.00 177.00 174.39 1h7x n SER 178 N -4.13 1.15 -0.31 2.53 3.41 -1.26 -4.76 113.62 110.24 1h7x n SER 178 Ca 0.11 0.63 0.14 0.00 -0.26 0.00 0.00 58.87 59.49 1h7x n SER 178 Cb 0.52 -1.51 0.32 0.00 -0.26 0.00 0.00 64.21 63.28 1h7x n SER 178 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1h7x h GLN 179 N -0.61 0.42 0.00 4.33 4.20 -1.98 0.29 115.11 121.75 1h7x h GLN 179 Ca -0.47 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.18 1h7x h GLN 179 Cb 1.31 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.99 1h7x h GLN 179 CO 0.47 0.28 -0.15 0.93 -0.67 0.00 0.00 178.83 179.68 1h7x h GLU 180 N 0.43 0.00 -0.06 1.46 5.08 -2.03 -2.90 114.58 116.56 1h7x h GLU 180 Ca 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 1h7x h GLU 180 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1h7x h GLU 180 CO -0.52 0.15 0.00 1.63 -1.00 0.00 0.00 179.01 179.28 1h7x n LYS 181 N -3.32 1.94 -2.34 2.33 5.02 0.07 -4.94 118.16 116.92 1h7x n LYS 181 Ca 0.00 -1.37 -0.40 0.00 -2.02 0.00 0.00 58.31 54.52 1h7x n LYS 181 Cb 0.39 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 1h7x n LYS 181 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1h7x s MET 182 N -1.95 4.53 0.73 1.97 -1.94 -1.06 -4.90 119.30 116.69 1h7x s MET 182 Ca 0.34 1.96 -0.16 0.00 -1.71 0.00 0.00 55.69 56.12 1h7x s MET 182 Cb 0.20 -3.15 0.02 0.00 2.01 0.00 0.00 34.83 33.91 1h7x s MET 182 CO 0.32 0.05 1.02 -2.30 -0.01 0.00 0.00 175.02 174.09 1h7x n PRO 183 N 1.14 0.50 -0.30 2.03 -0.02 -1.26 -4.87 135.00 132.22 1h7x n PRO 183 Ca -0.00 0.23 0.18 0.00 -2.02 0.00 0.00 63.50 61.89 1h7x n PRO 183 Cb 0.44 -2.27 0.45 0.00 -0.02 0.00 0.00 33.50 32.10 1h7x n PRO 183 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1h7x h GLU 184 N -0.30 0.50 -0.85 -0.52 4.81 -1.98 -2.27 114.58 113.97 1h7x h GLU 184 Ca -0.47 -0.03 0.19 0.00 -0.13 0.00 0.00 59.36 58.92 1h7x h GLU 184 Cb 1.33 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 30.54 1h7x h GLU 184 CO 0.47 0.33 0.57 0.00 -0.73 0.00 0.00 179.01 179.65 1h7x h ALA 185 N 1.62 2.25 0.00 2.92 0.00 -1.95 -0.99 119.26 123.12 1h7x h ALA 185 Ca 0.54 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1h7x h ALA 185 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1h7x h ALA 185 CO -0.27 -0.51 0.00 0.66 0.00 0.00 0.00 179.25 179.13 1h7x n TYR 186 N -4.48 0.00 0.95 0.00 4.01 -0.85 -1.98 117.16 114.82 1h7x n TYR 186 Ca 0.17 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.04 1h7x n TYR 186 Cb 0.67 -0.23 0.20 0.00 -0.31 0.00 0.00 39.34 39.67 1h7x n TYR 186 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1h7x n SER 187 N -1.23 2.82 -4.67 7.72 3.41 -0.37 -1.27 113.62 120.03 1h7x n SER 187 Ca 0.10 -1.92 -0.46 0.00 -0.26 0.00 0.00 58.87 56.34 1h7x n SER 187 Cb 0.13 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 63.99 1h7x n SER 187 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h7x n ALA 188 N 1.17 1.18 -2.13 7.33 0.00 -0.84 -4.64 120.51 122.58 1h7x n ALA 188 Ca 0.16 0.44 -0.42 0.00 0.00 0.00 0.00 53.44 53.61 1h7x n ALA 188 Cb 0.55 -2.31 -0.03 0.00 0.00 0.00 0.00 19.45 17.67 1h7x n ALA 188 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1h7x s LYS 189 N 0.41 4.21 -0.07 0.00 1.02 -1.26 -4.47 119.74 119.59 1h7x s LYS 189 Ca 0.75 2.04 0.04 0.00 0.02 0.00 0.00 55.97 58.83 1h7x s LYS 189 Cb -0.68 -3.84 -0.02 0.00 -0.52 0.00 0.00 37.83 32.77 1h7x s LYS 189 CO 0.42 -0.76 -0.19 0.42 -0.92 0.00 0.00 175.35 174.33 1h7x s ILE 190 N 3.53 2.65 -0.01 2.17 1.01 -0.33 -0.52 121.20 129.70 1h7x s ILE 190 Ca 0.68 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 60.54 1h7x s ILE 190 Cb -0.31 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 1h7x s ILE 190 CO 0.26 0.57 -0.22 0.00 0.00 0.00 0.00 174.94 175.55 1h7x s ALA 191 N -0.32 1.85 -0.02 9.38 0.00 -0.74 -1.61 121.76 130.31 1h7x s ALA 191 Ca 0.02 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.04 1h7x s ALA 191 Cb -0.13 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 1h7x s ALA 191 CO 0.02 0.45 -0.14 -0.51 0.00 0.00 0.00 175.76 175.58 1h7x s LEU 192 N -0.63 1.99 -0.22 0.00 1.02 -0.24 -1.01 118.68 119.58 1h7x s LEU 192 Ca 0.09 -0.27 -0.06 0.00 0.02 0.00 0.00 54.13 53.91 1h7x s LEU 192 Cb -0.09 -0.76 -0.03 0.00 0.02 0.00 0.00 46.19 45.34 1h7x s LEU 192 CO -0.00 0.16 0.03 -0.76 0.02 0.00 0.00 176.35 175.80 1h7x s LEU 193 N -0.24 3.35 0.00 1.79 2.01 0.04 -0.25 118.68 125.38 1h7x s LEU 193 Ca 0.03 -0.20 0.00 0.00 0.01 0.00 0.00 54.13 53.97 1h7x s LEU 193 Cb -0.07 -1.87 0.00 0.00 0.01 0.00 0.00 46.19 44.26 1h7x s LEU 193 CO -0.00 0.02 0.00 0.61 1.01 0.00 0.00 176.35 177.99 1h7x n GLY 194 N 4.57 0.24 2.75 -3.19 0.00 0.06 -0.65 105.19 108.97 1h7x n GLY 194 Ca -0.17 -1.24 -0.39 0.00 0.00 0.00 0.00 46.02 44.23 1h7x n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h7x n ALA 195 N 2.05 6.08 -3.42 4.61 0.00 -1.26 -4.50 120.51 124.07 1h7x n ALA 195 Ca 0.00 -4.43 -0.10 0.00 0.00 0.00 0.00 53.44 48.91 1h7x n ALA 195 Cb 0.00 -1.93 0.01 0.00 0.00 0.00 0.00 19.45 17.53 1h7x n ALA 195 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h7x n GLY 196 N -0.27 2.58 0.28 0.00 0.00 -1.26 -0.85 105.19 105.67 1h7x n GLY 196 Ca 0.48 -2.20 0.07 0.00 0.00 0.00 0.00 46.02 44.37 1h7x n GLY 196 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1h7x h PRO 197 N 0.00 0.22 0.30 1.61 0.11 -1.93 -0.70 132.00 131.61 1h7x h PRO 197 Ca -0.12 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 1h7x h PRO 197 Cb 0.49 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1h7x h PRO 197 CO 0.19 0.15 -0.20 0.00 -0.21 0.00 0.00 178.00 177.93 1h7x h ALA 198 N 1.67 -0.47 -0.34 -0.75 0.00 -1.90 -1.22 119.26 116.24 1h7x h ALA 198 Ca 0.45 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 55.13 1h7x h ALA 198 Cb 0.81 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1h7x h ALA 198 CO -0.57 -0.78 -0.35 0.77 0.00 0.00 0.00 179.25 178.32 1h7x h SER 199 N -0.49 0.82 -0.62 0.00 0.02 -1.71 -1.24 113.55 110.33 1h7x h SER 199 Ca -0.03 -0.35 0.01 0.00 -0.84 0.00 0.00 61.79 60.57 1h7x h SER 199 Cb 0.41 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1h7x h SER 199 CO 0.02 1.09 0.41 0.40 -1.14 0.00 0.00 176.83 177.62 1h7x h ILE 200 N 0.65 1.16 0.08 3.27 2.04 -1.07 0.15 117.51 123.79 1h7x h ILE 200 Ca 0.06 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1h7x h ILE 200 Cb 0.90 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1h7x h ILE 200 CO 0.08 0.16 -0.04 -1.28 0.00 0.00 0.00 178.15 177.07 1h7x h SER 201 N 0.84 -0.09 -0.09 1.72 0.87 -1.10 -1.39 113.55 114.30 1h7x h SER 201 Ca 0.23 -0.23 0.03 0.00 -1.23 0.00 0.00 61.79 60.58 1h7x h SER 201 Cb -0.09 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 1h7x h SER 201 CO -0.05 0.19 -0.09 0.00 -0.53 0.00 0.00 176.83 176.35 1h7x h ALA 203 N 0.95 1.38 0.17 0.00 0.00 -0.73 -1.74 119.26 119.30 1h7x h ALA 203 Ca 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1h7x h ALA 203 Cb 0.21 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1h7x h ALA 203 CO -0.16 0.55 -0.08 0.77 0.00 0.00 0.00 179.25 180.33 1h7x h SER 204 N 1.10 -0.19 -0.38 0.00 0.02 -0.69 -0.80 113.55 112.62 1h7x h SER 204 Ca 0.29 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.13 1h7x h SER 204 Cb -0.09 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1h7x h SER 204 CO -0.06 -0.07 0.02 -0.26 -1.14 0.00 0.00 176.83 175.32 1h7x h PHE 205 N -0.30 0.79 -0.71 3.45 0.04 -1.17 -0.45 116.94 118.60 1h7x h PHE 205 Ca -0.02 -0.10 -0.06 0.00 2.80 0.00 0.00 57.97 60.59 1h7x h PHE 205 Cb 0.23 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 1h7x h PHE 205 CO -0.05 0.72 0.20 -0.07 -0.60 0.00 0.00 178.31 178.52 1h7x h LEU 206 N 0.70 1.05 -0.88 1.54 3.38 -1.20 -1.62 115.31 118.28 1h7x h LEU 206 Ca 0.14 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1h7x h LEU 206 Cb 0.40 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1h7x h LEU 206 CO 0.01 0.99 0.07 0.00 0.09 0.00 0.00 178.44 179.60 1h7x h ALA 207 N 1.10 1.07 -0.74 1.53 0.00 -0.58 -2.20 119.26 119.44 1h7x h ALA 207 Ca 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1h7x h ALA 207 Cb 0.33 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1h7x h ALA 207 CO -0.00 0.59 0.43 0.00 0.00 0.00 0.00 179.25 180.27 1h7x h ARG 208 N 0.85 1.01 0.00 0.00 3.08 -0.53 -1.43 114.38 117.36 1h7x h ARG 208 Ca 0.17 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1h7x h ARG 208 Cb 0.41 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1h7x h ARG 208 CO 0.01 0.72 0.00 1.28 -1.07 0.00 0.00 179.97 180.92 1h7x n LEU 209 N -4.38 0.47 0.00 3.04 4.77 -0.66 -4.57 117.00 115.67 1h7x n LEU 209 Ca 0.08 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.68 1h7x n LEU 209 Cb 0.08 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 1h7x n LEU 209 CO 0.37 -0.50 0.00 0.61 -1.33 0.00 0.00 177.39 176.54 1h7x n GLY 210 N -0.12 0.90 3.70 -0.72 0.00 -0.54 -5.08 105.19 103.34 1h7x n GLY 210 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1h7x n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h7x s TYR 211 N -2.00 2.85 -2.56 1.61 2.02 -1.04 -4.87 117.35 113.35 1h7x s TYR 211 Ca 0.00 0.59 0.21 0.00 -0.37 0.00 0.00 57.07 57.51 1h7x s TYR 211 Cb 0.00 -3.88 0.14 0.00 -0.40 0.00 0.00 41.96 37.82 1h7x s TYR 211 CO 0.00 -3.32 1.16 -1.13 -1.57 0.00 0.00 175.55 170.69 1h7x n SER 212 N 4.66 2.65 -3.54 2.29 3.41 -0.40 -4.50 113.62 118.19 1h7x n SER 212 Ca 0.14 -1.82 -0.27 0.00 -0.26 0.00 0.00 58.87 56.66 1h7x n SER 212 Cb 0.40 0.09 -0.10 0.00 -0.26 0.00 0.00 64.21 64.34 1h7x n SER 212 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1h7x n ASP 213 N 0.99 1.11 -4.25 4.04 -0.08 -1.26 -5.00 116.55 112.10 1h7x n ASP 213 Ca 0.12 -2.78 -0.33 0.00 -1.51 0.00 0.00 54.79 50.29 1h7x n ASP 213 Cb 0.52 -0.64 -0.16 0.00 2.34 0.00 0.00 41.12 43.18 1h7x n ASP 213 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1h7x s ILE 214 N -0.81 2.47 -0.05 5.18 1.01 -1.26 -1.18 121.20 126.55 1h7x s ILE 214 Ca 0.31 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 60.13 1h7x s ILE 214 Cb 0.04 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.51 1h7x s ILE 214 CO -0.16 0.53 -0.10 -0.89 0.00 0.00 0.00 174.94 174.32 1h7x s THR 215 N 0.67 0.96 -0.22 2.92 2.01 -0.63 -1.29 115.64 120.05 1h7x s THR 215 Ca -0.09 -0.39 -0.08 0.00 0.31 0.00 0.00 61.69 61.44 1h7x s THR 215 Cb -0.16 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 1h7x s THR 215 CO 0.02 0.31 0.09 -0.63 -0.69 0.00 0.00 174.62 173.72 1h7x s ILE 216 N 0.63 4.78 -0.32 1.82 1.01 0.78 -1.08 121.20 128.82 1h7x s ILE 216 Ca -0.12 -0.03 -0.11 0.00 0.00 0.00 0.00 60.65 60.40 1h7x s ILE 216 Cb -0.14 -3.20 -0.01 0.00 0.01 0.00 0.00 42.46 39.11 1h7x s ILE 216 CO 0.02 0.38 0.18 -0.36 0.00 0.00 0.00 174.94 175.17 1h7x s PHE 217 N 0.99 3.19 -0.13 3.97 0.08 0.65 -0.54 117.98 126.20 1h7x s PHE 217 Ca 0.05 -0.42 -0.02 0.00 0.12 0.00 0.00 56.93 56.66 1h7x s PHE 217 Cb -0.14 -2.39 -0.03 0.00 -0.57 0.00 0.00 43.02 39.89 1h7x s PHE 217 CO 0.03 -0.41 -0.05 -2.00 -0.10 0.00 0.00 175.22 172.69 1h7x s GLU 218 N 1.66 3.39 0.09 0.44 2.56 0.01 -0.76 118.70 126.08 1h7x s GLU 218 Ca 0.05 -0.53 -0.19 0.00 0.00 0.00 0.00 54.97 54.30 1h7x s GLU 218 Cb -0.17 -2.81 -0.08 0.00 2.00 0.00 0.00 34.13 33.07 1h7x s GLU 218 CO 0.08 0.37 1.59 -0.22 -0.56 0.00 0.00 175.26 176.52 1h7x h LYS 219 N 6.25 0.36 -7.78 4.30 3.64 -1.73 0.18 116.57 121.79 1h7x h LYS 219 Ca -0.36 -0.08 -0.45 0.00 -1.27 0.00 0.00 60.65 58.49 1h7x h LYS 219 Cb 1.19 -0.05 0.16 0.00 -0.41 0.00 0.00 32.23 33.12 1h7x h LYS 219 CO 0.59 0.46 0.40 -0.65 -2.27 0.00 0.00 179.45 177.98 1h7x s GLN 220 N -5.34 0.59 0.03 1.90 -1.52 -1.26 -3.20 119.66 110.86 1h7x s GLN 220 Ca -0.14 -0.35 0.25 0.00 -1.95 0.00 0.00 55.36 53.18 1h7x s GLN 220 Cb 0.07 -1.83 0.54 0.00 -0.22 0.00 0.00 33.01 31.57 1h7x s GLN 220 CO 0.72 -2.46 1.44 0.39 -0.25 0.00 0.00 175.29 175.13 1h7x n GLU 221 N -3.81 0.07 -4.31 2.91 -0.58 -1.26 -2.34 120.64 111.30 1h7x n GLU 221 Ca 0.15 0.02 -0.24 0.00 -0.42 0.00 0.00 57.16 56.67 1h7x n GLU 221 Cb 0.60 -1.54 -0.08 0.00 -0.57 0.00 0.00 31.44 29.85 1h7x n GLU 221 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 1h7x s TYR 222 N -3.04 2.65 0.34 -0.32 -0.85 -1.26 -4.96 117.35 109.91 1h7x s TYR 222 Ca 0.10 -0.23 0.09 0.00 -0.52 0.00 0.00 57.07 56.51 1h7x s TYR 222 Cb 0.17 -1.19 -0.06 0.00 0.38 0.00 0.00 41.96 41.26 1h7x s TYR 222 CO 0.69 0.62 -0.02 0.14 -1.52 0.00 0.00 175.55 175.45 1h7x s VAL 223 N -2.25 2.53 0.00 -3.49 -7.23 -1.26 -4.79 120.40 103.91 1h7x s VAL 223 Ca 0.30 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 1h7x s VAL 223 Cb -0.07 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 34.12 1h7x s VAL 223 CO 0.19 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 1h7x n GLY 224 N -0.91 0.99 7.00 2.32 0.00 -0.03 -4.70 105.19 109.87 1h7x n GLY 224 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1h7x n GLY 224 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h7x n GLY 225 N -0.80 1.72 0.26 -0.02 0.00 -1.06 -2.90 105.19 102.39 1h7x n GLY 225 Ca 0.00 -0.58 0.08 0.00 0.00 0.00 0.00 46.02 45.52 1h7x n GLY 225 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1h7x h LEU 226 N 0.00 0.01 -1.86 0.99 3.38 -1.96 0.06 115.31 115.93 1h7x h LEU 226 Ca 0.00 -0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1h7x h LEU 226 Cb 0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1h7x h LEU 226 CO 0.00 0.01 0.34 0.28 0.09 0.00 0.00 178.44 179.17 1h7x h SER 227 N 0.01 0.14 0.00 -0.43 0.02 -1.90 -0.73 113.55 110.66 1h7x h SER 227 Ca 0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.63 1h7x h SER 227 Cb 0.01 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.48 1h7x h SER 227 CO 0.00 0.08 -1.88 0.41 -1.14 0.00 0.00 176.83 174.30 1h7x n THR 228 N -4.44 1.52 0.18 -2.27 -1.04 -0.31 -4.38 114.28 103.54 1h7x n THR 228 Ca 0.08 -0.19 0.05 0.00 -2.04 0.00 0.00 64.05 61.95 1h7x n THR 228 Cb 0.46 -2.00 0.25 0.00 -1.82 0.00 0.00 70.33 67.22 1h7x n THR 228 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1h7x h SER 229 N -1.00 0.00 0.00 8.00 4.64 -0.98 -3.43 113.55 120.78 1h7x h SER 229 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1h7x h SER 229 Cb 1.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1h7x h SER 229 CO -0.30 0.39 -0.51 -0.62 -0.87 0.00 0.00 176.83 174.92 1h7x n GLU 230 N -3.40 0.00 -1.69 4.77 1.02 -0.38 -2.85 120.64 118.11 1h7x n GLU 230 Ca 0.01 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.73 1h7x n GLU 230 Cb 0.57 -0.70 -0.03 0.00 -0.02 0.00 0.00 31.44 31.26 1h7x n GLU 230 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1h7x s ILE 231 N -1.56 2.56 0.43 -3.67 1.01 -0.62 -4.89 121.20 114.46 1h7x s ILE 231 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 60.65 60.40 1h7x s ILE 231 Cb 0.00 -3.00 -0.10 0.00 0.01 0.00 0.00 42.46 39.37 1h7x s ILE 231 CO 0.00 -0.00 1.23 -2.65 0.00 0.00 0.00 174.94 173.52 1h7x n PRO 232 N 5.97 1.82 0.09 2.79 -0.02 -1.26 -4.75 135.00 139.65 1h7x n PRO 232 Ca 0.18 0.65 0.13 0.00 -2.02 0.00 0.00 63.50 62.45 1h7x n PRO 232 Cb 0.38 -2.34 0.63 0.00 -0.02 0.00 0.00 33.50 32.15 1h7x n PRO 232 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1h7x h GLN 233 N 1.96 0.09 0.00 -0.52 5.75 -1.90 0.82 115.11 121.30 1h7x h GLN 233 Ca -0.47 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 1h7x h GLN 233 Cb 1.30 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.83 1h7x h GLN 233 CO 0.59 0.06 0.00 1.97 -2.65 0.00 0.00 178.83 178.80 1h7x n PHE 234 N -4.46 0.00 -0.00 3.99 1.16 -1.25 -3.37 117.46 113.52 1h7x n PHE 234 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.62 1h7x n PHE 234 Cb 0.34 -0.02 -0.00 0.00 -1.61 0.00 0.00 39.48 38.19 1h7x n PHE 234 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1h7x n ARG 235 N -1.02 0.02 -3.70 3.97 1.74 -0.28 -1.68 116.66 115.72 1h7x n ARG 235 Ca 0.19 0.01 -0.30 0.00 -0.77 0.00 0.00 57.85 56.98 1h7x n ARG 235 Cb 0.10 -0.93 -0.15 0.00 -1.02 0.00 0.00 32.46 30.46 1h7x n ARG 235 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1h7x s LEU 236 N -5.25 1.94 0.33 0.55 2.96 0.12 -4.81 118.68 114.52 1h7x s LEU 236 Ca -0.01 -1.58 -0.29 0.00 -0.22 0.00 0.00 54.13 52.02 1h7x s LEU 236 Cb 0.00 -0.77 -0.11 0.00 0.50 0.00 0.00 46.19 45.81 1h7x s LEU 236 CO 0.02 -0.42 1.56 -2.65 -1.32 0.00 0.00 176.35 173.55 1h7x n PRO 237 N 4.91 2.71 0.03 0.98 -0.02 -1.22 -4.22 135.00 138.18 1h7x n PRO 237 Ca -0.03 0.96 0.07 0.00 -2.02 0.00 0.00 63.50 62.49 1h7x n PRO 237 Cb 0.42 -2.73 0.50 0.00 -0.02 0.00 0.00 33.50 31.67 1h7x n PRO 237 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1h7x h TYR 238 N 4.14 0.37 0.00 6.00 3.20 -1.92 -1.64 116.97 127.12 1h7x h TYR 238 Ca -0.48 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.39 1h7x h TYR 238 Cb 1.23 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.37 1h7x h TYR 238 CO 0.56 0.22 -0.00 0.38 -1.64 0.00 0.00 178.16 177.68 1h7x h ASP 239 N 0.39 0.00 -0.18 -2.11 2.03 -1.90 -1.05 116.42 113.60 1h7x h ASP 239 Ca 0.15 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.39 1h7x h ASP 239 Cb 0.14 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.64 1h7x h ASP 239 CO -0.04 0.00 -0.15 0.58 -1.03 0.00 0.00 179.24 178.60 1h7x h VAL 240 N 0.00 1.33 -0.25 4.15 2.07 -1.66 -1.91 116.25 119.98 1h7x h VAL 240 Ca -0.00 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1h7x h VAL 240 Cb 0.06 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1h7x h VAL 240 CO 0.00 0.39 0.17 0.58 0.02 0.00 0.00 177.57 178.72 1h7x h VAL 241 N 0.07 1.07 -0.99 2.57 2.07 -1.31 -2.26 116.25 117.47 1h7x h VAL 241 Ca 0.03 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.46 1h7x h VAL 241 Cb 0.68 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 1h7x h VAL 241 CO 0.04 0.06 0.65 -1.13 0.02 0.00 0.00 177.57 177.21 1h7x h ASN 242 N 0.34 1.09 -0.18 0.57 -0.73 -1.42 -1.46 115.58 113.79 1h7x h ASN 242 Ca 0.09 -0.02 0.02 0.00 1.87 0.00 0.00 56.30 58.26 1h7x h ASN 242 Cb -0.04 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.28 1h7x h ASN 242 CO -0.02 0.76 0.07 0.15 -0.37 0.00 0.00 177.43 178.02 1h7x h PHE 243 N 1.27 0.12 -0.16 0.67 3.57 -0.86 -0.93 116.94 120.63 1h7x h PHE 243 Ca 0.39 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.79 1h7x h PHE 243 Cb -0.03 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1h7x h PHE 243 CO -0.00 0.07 -0.37 0.93 -2.23 0.00 0.00 178.31 176.71 1h7x h GLU 244 N 0.16 0.33 -0.35 1.11 5.08 -1.04 -2.28 114.58 117.60 1h7x h GLU 244 Ca 0.08 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1h7x h GLU 244 Cb 0.04 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1h7x h GLU 244 CO -0.07 0.66 -0.05 0.82 -1.00 0.00 0.00 179.01 179.37 1h7x h ILE 245 N 0.29 1.27 -0.29 3.13 1.08 -1.02 -2.50 117.51 119.46 1h7x h ILE 245 Ca 0.03 -1.08 -0.06 0.00 -0.39 0.00 0.00 64.86 63.36 1h7x h ILE 245 Cb 0.78 1.27 -0.02 0.00 -3.07 0.00 0.00 36.82 35.78 1h7x h ILE 245 CO 0.06 0.35 -0.09 -0.33 -0.69 0.00 0.00 178.15 177.45 1h7x h GLU 246 N 0.44 0.49 -0.77 2.37 4.39 -1.03 -0.54 114.58 119.93 1h7x h GLU 246 Ca 0.09 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 1h7x h GLU 246 Cb 0.53 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 1h7x h GLU 246 CO 0.03 0.59 0.29 -0.07 -1.16 0.00 0.00 179.01 178.69 1h7x h LEU 247 N 0.46 1.07 -0.48 1.33 3.38 -1.25 -1.48 115.31 118.33 1h7x h LEU 247 Ca 0.09 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1h7x h LEU 247 Cb 0.45 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1h7x h LEU 247 CO 0.02 0.96 0.04 -0.03 0.09 0.00 0.00 178.44 179.53 1h7x h MET 248 N 1.12 0.81 0.00 1.13 4.05 -0.95 -2.59 114.93 118.51 1h7x h MET 248 Ca 0.25 -0.24 -0.01 0.00 -0.28 0.00 0.00 59.70 59.42 1h7x h MET 248 Cb 0.23 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 30.95 1h7x h MET 248 CO -0.02 0.84 -0.07 0.87 0.23 0.00 0.00 176.91 178.76 1h7x h LYS 249 N 0.68 0.00 0.00 0.39 1.57 -0.70 -1.25 116.57 117.26 1h7x h LYS 249 Ca 0.14 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1h7x h LYS 249 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1h7x h LYS 249 CO 0.02 0.07 -0.03 -0.44 -0.57 0.00 0.00 179.45 178.50 1h7x h ASP 250 N 0.00 0.00 -0.23 0.86 3.32 -0.86 -0.60 116.42 118.91 1h7x h ASP 250 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1h7x h ASP 250 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1h7x h ASP 250 CO 0.01 0.03 0.00 0.18 -1.72 0.00 0.00 179.24 177.74 1h7x n LEU 251 N -3.48 1.95 0.00 1.55 4.77 -0.47 -4.83 117.00 116.49 1h7x n LEU 251 Ca -0.02 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.11 1h7x n LEU 251 Cb 0.13 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1h7x n LEU 251 CO 0.26 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 1h7x n GLY 252 N 1.17 0.65 3.73 -0.72 0.00 -0.23 -4.95 105.19 104.84 1h7x n GLY 252 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1h7x n GLY 252 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h7x s VAL 253 N -2.45 2.59 -0.03 1.61 1.01 -1.25 -4.73 120.40 117.15 1h7x s VAL 253 Ca 0.00 0.46 -0.02 0.00 0.00 0.00 0.00 61.98 62.42 1h7x s VAL 253 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1h7x s VAL 253 CO 0.00 0.06 0.09 -0.54 0.00 0.00 0.00 175.10 174.70 1h7x s LYS 254 N 0.25 3.13 -0.09 2.72 1.02 -0.42 -4.58 119.74 121.78 1h7x s LYS 254 Ca 0.64 -0.42 0.02 0.00 0.02 0.00 0.00 55.97 56.23 1h7x s LYS 254 Cb -0.43 -2.91 0.01 0.00 -0.52 0.00 0.00 37.83 33.98 1h7x s LYS 254 CO 0.39 0.67 -0.13 0.42 -0.92 0.00 0.00 175.35 175.78 1h7x s ILE 255 N -1.14 1.30 -0.24 2.17 1.01 -1.26 -0.16 121.20 122.88 1h7x s ILE 255 Ca 0.21 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1h7x s ILE 255 Cb -0.12 -1.20 0.04 0.00 0.01 0.00 0.00 42.46 41.19 1h7x s ILE 255 CO 0.12 0.40 -0.12 -0.63 0.00 0.00 0.00 174.94 174.70 1h7x s ILE 256 N 0.89 2.31 0.50 2.92 1.01 0.29 -4.95 121.20 124.18 1h7x s ILE 256 Ca -0.10 -1.30 -0.04 0.00 0.00 0.00 0.00 60.65 59.22 1h7x s ILE 256 Cb -0.15 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.09 1h7x s ILE 256 CO 0.01 0.18 0.78 0.00 0.00 0.00 0.00 174.94 175.91 1h7x n GLY 258 N -2.28 0.57 3.09 0.00 0.00 0.46 -4.87 105.19 102.16 1h7x n GLY 258 Ca 0.02 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 1h7x n GLY 258 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h7x s LYS 259 N -2.03 2.69 0.06 1.61 -0.14 -0.26 -4.94 119.74 116.73 1h7x s LYS 259 Ca 0.00 -0.72 0.06 0.00 -1.36 0.00 0.00 55.97 53.96 1h7x s LYS 259 Cb 0.00 -2.32 -0.04 0.00 -1.68 0.00 0.00 37.83 33.80 1h7x s LYS 259 CO 0.00 -0.16 -0.13 -1.12 -0.76 0.00 0.00 175.35 173.17 1h7x s SER 260 N 1.22 4.16 -0.55 2.83 0.01 -1.26 -2.12 113.70 117.99 1h7x s SER 260 Ca 0.01 -0.37 -0.26 0.00 1.31 0.00 0.00 55.95 56.64 1h7x s SER 260 Cb -0.14 -0.77 0.03 0.00 0.21 0.00 0.00 66.02 65.36 1h7x s SER 260 CO -0.09 0.23 1.03 -0.22 0.41 0.00 0.00 173.24 174.61 1h7x s LEU 261 N -1.74 3.85 -0.11 2.44 2.96 -1.26 -1.68 118.68 123.14 1h7x s LEU 261 Ca 0.17 -0.09 -0.30 0.00 -0.22 0.00 0.00 54.13 53.69 1h7x s LEU 261 Cb -0.11 -3.03 0.12 0.00 0.50 0.00 0.00 46.19 43.67 1h7x s LEU 261 CO 0.09 -1.29 0.94 -0.55 -1.32 0.00 0.00 176.35 174.21 1h7x s SER 262 N 2.78 -0.40 0.34 3.68 0.15 0.67 -4.62 113.70 116.30 1h7x s SER 262 Ca 0.36 0.35 -0.29 0.00 0.70 0.00 0.00 55.95 57.08 1h7x s SER 262 Cb -0.10 0.35 -0.12 0.00 -1.71 0.00 0.00 66.02 64.44 1h7x s SER 262 CO 0.23 -0.43 1.47 1.21 1.20 0.00 0.00 173.24 176.92 1h7x n GLU 263 N 0.54 2.53 -0.37 5.44 4.07 -0.14 -0.56 120.64 132.16 1h7x n GLU 263 Ca -0.11 0.89 0.00 0.00 -0.06 0.00 0.00 57.16 57.88 1h7x n GLU 263 Cb 0.59 -2.60 0.00 0.00 -0.06 0.00 0.00 31.44 29.36 1h7x n GLU 263 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1h7x n ASN 264 N 1.11 0.00 0.00 4.31 5.15 -1.26 -4.89 115.26 119.68 1h7x n ASN 264 Ca 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.03 1h7x n ASN 264 Cb 0.37 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.62 1h7x n ASN 264 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1h7x n GLU 265 N -2.00 0.00 -3.28 1.20 1.02 0.28 -5.08 120.64 112.77 1h7x n GLU 265 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 1h7x n GLU 265 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 1h7x n GLU 265 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1h7x s ILE 266 N 3.13 5.15 0.21 -3.67 1.01 -0.67 -4.83 121.20 121.53 1h7x s ILE 266 Ca 0.00 1.02 0.01 0.00 0.00 0.00 0.00 60.65 61.68 1h7x s ILE 266 Cb 0.00 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 1h7x s ILE 266 CO 0.00 0.33 0.05 0.42 0.00 0.00 0.00 174.94 175.74 1h7x s THR 267 N 0.54 0.57 0.38 2.92 -4.23 -1.26 -0.24 115.64 114.32 1h7x s THR 267 Ca 0.27 -1.99 0.06 0.00 -1.18 0.00 0.00 61.69 58.86 1h7x s THR 267 Cb -0.16 -2.34 0.21 0.00 1.34 0.00 0.00 72.50 71.56 1h7x s THR 267 CO 0.12 -0.26 1.97 -0.07 -0.54 0.00 0.00 174.62 175.84 1h7x h LEU 268 N 2.57 0.47 -0.46 4.79 3.38 -1.61 -1.67 115.31 122.79 1h7x h LEU 268 Ca -0.37 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.43 1h7x h LEU 268 Cb 1.22 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1h7x h LEU 268 CO 0.61 0.44 -0.17 0.78 0.09 0.00 0.00 178.44 180.19 1h7x h ASN 269 N 0.52 0.94 -0.16 -0.43 2.35 -1.82 -1.20 115.58 115.79 1h7x h ASN 269 Ca 0.13 -0.39 -0.12 0.00 -0.55 0.00 0.00 56.30 55.37 1h7x h ASN 269 Cb 0.13 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1h7x h ASN 269 CO -0.01 1.12 -0.31 0.71 -1.65 0.00 0.00 177.43 177.28 1h7x h THR 270 N 0.76 1.28 -0.29 2.81 1.35 -1.83 -0.38 112.91 116.62 1h7x h THR 270 Ca 0.11 -1.44 -0.03 0.00 -0.55 0.00 0.00 66.41 64.50 1h7x h THR 270 Cb 0.74 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.53 1h7x h THR 270 CO 0.06 0.46 0.06 -0.07 -0.25 0.00 0.00 175.52 175.79 1h7x h LEU 271 N 0.56 0.44 -0.66 3.87 3.38 -1.19 0.73 115.31 122.44 1h7x h LEU 271 Ca 0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1h7x h LEU 271 Cb 0.81 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1h7x h LEU 271 CO 0.07 0.57 0.37 0.50 0.09 0.00 0.00 178.44 180.03 1h7x h LYS 272 N 0.30 0.91 -0.89 1.13 3.64 -1.10 -1.66 116.57 118.90 1h7x h LYS 272 Ca 0.09 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1h7x h LYS 272 Cb 0.30 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 1h7x h LYS 272 CO 0.00 0.68 0.58 1.49 -2.27 0.00 0.00 179.45 179.94 1h7x h GLU 273 N 0.90 1.08 -0.01 1.90 4.57 -0.78 -2.05 114.58 120.19 1h7x h GLU 273 Ca 0.23 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1h7x h GLU 273 Cb 0.03 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.37 1h7x h GLU 273 CO -0.04 0.72 0.00 0.39 -1.18 0.00 0.00 179.01 178.90 1h7x n GLU 274 N -4.44 1.07 -0.19 1.92 1.02 0.23 -4.91 120.64 115.34 1h7x n GLU 274 Ca 0.12 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1h7x n GLU 274 Cb 0.10 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1h7x n GLU 274 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h7x n GLY 275 N 0.97 0.72 3.74 0.62 0.00 -0.77 -5.06 105.19 105.41 1h7x n GLY 275 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1h7x n GLY 275 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h7x s TYR 276 N -2.22 3.18 -0.21 1.61 1.51 -0.69 -4.57 117.35 115.95 1h7x s TYR 276 Ca 0.00 1.12 0.21 0.00 -1.01 0.00 0.00 57.07 57.39 1h7x s TYR 276 Cb 0.00 -3.69 -0.02 0.00 -0.11 0.00 0.00 41.96 38.14 1h7x s TYR 276 CO 0.00 -2.22 1.02 0.87 -1.11 0.00 0.00 175.55 174.11 1h7x h LYS 277 N 5.45 0.00 -2.48 -0.62 1.79 -1.14 -3.41 116.57 116.17 1h7x h LYS 277 Ca -0.45 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 57.94 1h7x h LYS 277 Cb 1.21 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.68 1h7x h LYS 277 CO 0.79 0.07 0.02 0.00 -1.08 0.00 0.00 179.45 179.24 1h7x s ALA 278 N -3.26 -1.37 -0.00 3.86 0.00 -1.24 -4.83 121.76 114.92 1h7x s ALA 278 Ca -0.01 0.86 0.01 0.00 0.00 0.00 0.00 51.96 52.83 1h7x s ALA 278 Cb 0.09 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.31 1h7x s ALA 278 CO 0.79 -0.36 -0.03 0.00 0.00 0.00 0.00 175.76 176.15 1h7x s ALA 279 N -1.49 0.28 -0.16 0.00 0.00 -0.23 -1.79 121.76 118.36 1h7x s ALA 279 Ca -0.11 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 51.70 1h7x s ALA 279 Cb -0.02 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.05 1h7x s ALA 279 CO 0.06 0.06 -0.18 0.12 0.00 0.00 0.00 175.76 175.83 1h7x s PHE 280 N -0.12 2.77 -0.41 0.00 5.36 -0.18 -0.42 117.98 124.97 1h7x s PHE 280 Ca 0.01 -1.31 -0.19 0.00 -0.96 0.00 0.00 56.93 54.48 1h7x s PHE 280 Cb -0.02 -1.90 0.02 0.00 -0.34 0.00 0.00 43.02 40.78 1h7x s PHE 280 CO -0.00 -0.63 0.57 0.42 -1.46 0.00 0.00 175.22 174.12 1h7x s ILE 281 N 1.03 4.93 -0.32 3.12 -1.09 0.94 -0.78 121.20 129.02 1h7x s ILE 281 Ca -0.02 0.08 0.16 0.00 -2.23 0.00 0.00 60.65 58.64 1h7x s ILE 281 Cb -0.15 -4.11 0.47 0.00 -1.58 0.00 0.00 42.46 37.09 1h7x s ILE 281 CO -0.05 -0.46 1.05 0.61 -1.23 0.00 0.00 174.94 174.86 1h7x n GLY 282 N 4.98 2.97 0.25 6.18 0.00 0.18 -2.24 105.19 117.50 1h7x n GLY 282 Ca -0.04 -1.66 0.14 0.00 0.00 0.00 0.00 46.02 44.47 1h7x n GLY 282 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1h7x n ILE 283 N -0.36 0.02 -4.97 -0.61 -5.35 -1.07 -4.36 119.36 102.66 1h7x n ILE 283 Ca 0.18 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 1h7x n ILE 283 Cb 0.80 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.71 1h7x n ILE 283 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1h7x n GLY 284 N 1.06 0.98 3.00 3.28 0.00 -1.26 -4.23 105.19 108.02 1h7x n GLY 284 Ca 0.20 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 1h7x n GLY 284 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h7x s LEU 285 N 0.00 4.62 0.57 0.99 1.43 -1.26 -4.03 118.68 121.00 1h7x s LEU 285 Ca 0.00 -2.94 0.26 0.00 -1.03 0.00 0.00 54.13 50.42 1h7x s LEU 285 Cb 0.00 -1.71 1.58 0.00 0.03 0.00 0.00 46.19 46.10 1h7x s LEU 285 CO 0.00 -0.28 2.13 -0.65 0.23 0.00 0.00 176.35 177.78 1h7x h PRO 286 N 6.69 0.00 -6.52 1.29 0.11 -1.73 -3.38 132.00 128.47 1h7x h PRO 286 Ca -0.06 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.41 1h7x h PRO 286 Cb 0.91 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 31.87 1h7x h PRO 286 CO 0.69 0.00 -0.75 -1.21 -0.21 0.00 0.00 178.00 176.52 1h7x s GLU 287 N -4.77 1.95 0.43 1.05 2.02 -0.35 -4.96 118.70 114.07 1h7x s GLU 287 Ca -0.05 -1.26 -0.22 0.00 0.02 0.00 0.00 54.97 53.46 1h7x s GLU 287 Cb 0.16 -2.12 -0.10 0.00 0.10 0.00 0.00 34.13 32.17 1h7x s GLU 287 CO 0.59 0.44 0.98 -1.25 0.02 0.00 0.00 175.26 176.05 1h7x s PRO 288 N -2.64 4.17 -0.08 0.39 0.04 -1.26 0.96 135.00 136.57 1h7x s PRO 288 Ca 0.23 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 1h7x s PRO 288 Cb -0.09 -2.28 -0.02 0.00 0.04 0.00 0.00 34.50 32.15 1h7x s PRO 288 CO 0.13 -0.10 1.11 0.21 0.04 0.00 0.00 177.00 178.40 1h7x s LYS 289 N -2.98 4.38 0.39 4.56 2.20 -0.01 -4.65 119.74 123.64 1h7x s LYS 289 Ca 0.61 1.54 0.08 0.00 -0.36 0.00 0.00 55.97 57.84 1h7x s LYS 289 Cb -0.13 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.63 1h7x s LYS 289 CO 0.17 -0.39 0.45 0.95 -0.36 0.00 0.00 175.35 176.17 1h7x s THR 290 N 2.15 3.14 -0.01 3.43 -4.23 -1.26 -4.61 115.64 114.24 1h7x s THR 290 Ca 0.52 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 1h7x s THR 290 Cb -0.22 -3.09 0.01 0.00 1.34 0.00 0.00 72.50 70.55 1h7x s THR 290 CO 0.20 -0.05 -0.00 -0.62 -0.54 0.00 0.00 174.62 173.60 1h7x s ASP 291 N -4.20 0.23 0.45 3.99 2.15 -1.26 -5.05 116.67 112.98 1h7x s ASP 291 Ca 0.49 -0.02 0.23 0.00 0.43 0.00 0.00 52.55 53.68 1h7x s ASP 291 Cb -0.07 -0.08 1.22 0.00 -0.30 0.00 0.00 42.92 43.69 1h7x s ASP 291 CO 0.30 -0.04 1.84 -0.78 -0.17 0.00 0.00 175.17 176.32 1h7x h ASP 292 N 6.62 0.29 0.50 -0.34 3.58 -2.00 -1.05 116.42 124.01 1h7x h ASP 292 Ca -0.34 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.15 1h7x h ASP 292 Cb 1.17 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.21 1h7x h ASP 292 CO 0.49 0.09 0.00 0.16 -2.88 0.00 0.00 179.24 177.11 1h7x h ILE 293 N 0.28 0.00 -0.23 2.25 3.07 -1.97 -2.38 117.51 118.53 1h7x h ILE 293 Ca 0.50 -0.18 0.00 0.00 1.55 0.00 0.00 64.86 66.72 1h7x h ILE 293 Cb 1.46 0.90 0.00 0.00 -0.27 0.00 0.00 36.82 38.91 1h7x h ILE 293 CO -0.15 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.44 1h7x n PHE 294 N -2.43 0.28 -1.69 0.16 3.72 -0.40 -4.59 117.46 112.51 1h7x n PHE 294 Ca 0.00 -0.14 -0.44 0.00 -0.05 0.00 0.00 57.45 56.82 1h7x n PHE 294 Cb 0.17 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 1h7x n PHE 294 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1h7x n GLN 295 N 1.41 2.25 0.00 -1.08 10.64 -0.90 -2.07 117.38 127.63 1h7x n GLN 295 Ca 0.17 0.80 0.00 0.00 -1.83 0.00 0.00 57.00 56.14 1h7x n GLN 295 Cb 0.59 -2.51 0.00 0.00 -0.86 0.00 0.00 30.24 27.46 1h7x n GLN 295 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1h7x n GLY 296 N 2.35 2.88 3.76 2.61 0.00 -1.26 -5.01 105.19 110.52 1h7x n GLY 296 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1h7x n GLY 296 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h7x s LEU 297 N 0.00 4.44 0.38 0.99 1.43 -0.88 -5.03 118.68 120.02 1h7x s LEU 297 Ca 0.00 2.54 0.08 0.00 -1.03 0.00 0.00 54.13 55.72 1h7x s LEU 297 Cb 0.00 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.54 1h7x s LEU 297 CO 0.00 -0.49 0.14 0.42 0.23 0.00 0.00 176.35 176.65 1h7x s THR 298 N -0.65 2.54 0.30 5.49 -4.23 -1.26 -4.90 115.64 112.92 1h7x s THR 298 Ca 0.52 -1.74 0.02 0.00 -1.18 0.00 0.00 61.69 59.30 1h7x s THR 298 Cb -0.38 -2.96 0.11 0.00 1.34 0.00 0.00 72.50 70.62 1h7x s THR 298 CO 0.46 -0.08 1.79 1.56 -0.54 0.00 0.00 174.62 177.81 1h7x h GLN 299 N 1.52 0.58 -0.24 3.99 4.20 -1.93 -1.79 115.11 121.44 1h7x h GLN 299 Ca -0.43 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.10 1h7x h GLN 299 Cb 1.25 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.96 1h7x h GLN 299 CO 0.68 0.67 0.08 -0.44 -0.67 0.00 0.00 178.83 179.14 1h7x h ASP 300 N 0.54 0.30 1.72 1.46 3.32 -1.96 0.67 116.42 122.46 1h7x h ASP 300 Ca 0.10 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1h7x h ASP 300 Cb 0.48 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1h7x h ASP 300 CO 0.03 0.29 0.00 1.56 -1.72 0.00 0.00 179.24 179.40 1h7x h GLN 301 N 0.33 0.00 0.00 3.56 4.20 -1.61 -3.47 115.11 118.12 1h7x h GLN 301 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1h7x h GLN 301 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1h7x h GLN 301 CO -0.01 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.56 1h7x n GLY 302 N 0.88 1.30 3.72 3.46 0.00 0.23 -2.17 105.19 112.60 1h7x n GLY 302 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1h7x n GLY 302 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1h7x s PHE 303 N -2.00 3.31 0.02 1.61 5.36 -0.74 -0.94 117.98 124.61 1h7x s PHE 303 Ca 0.00 0.25 -0.03 0.00 -0.96 0.00 0.00 56.93 56.18 1h7x s PHE 303 Cb 0.00 -1.93 -0.01 0.00 -0.34 0.00 0.00 43.02 40.74 1h7x s PHE 303 CO 0.00 0.44 0.05 0.71 -1.46 0.00 0.00 175.22 174.96 1h7x s TYR 304 N -0.51 0.21 0.26 10.12 1.51 -0.34 -3.30 117.35 125.30 1h7x s TYR 304 Ca 0.10 -0.46 0.06 0.00 -1.01 0.00 0.00 57.07 55.77 1h7x s TYR 304 Cb -0.12 -0.15 -0.03 0.00 -0.11 0.00 0.00 41.96 41.55 1h7x s TYR 304 CO 0.02 -0.27 0.32 0.95 -1.11 0.00 0.00 175.55 175.45 1h7x s THR 305 N -1.89 4.70 0.46 -0.71 -4.23 -1.26 -1.10 115.64 111.60 1h7x s THR 305 Ca -0.11 -1.16 0.16 0.00 -1.18 0.00 0.00 61.69 59.40 1h7x s THR 305 Cb -0.06 -3.60 0.33 0.00 1.34 0.00 0.00 72.50 70.52 1h7x s THR 305 CO -0.02 -0.30 2.01 0.77 -0.54 0.00 0.00 174.62 176.54 1h7x h SER 306 N 1.24 0.26 0.68 3.99 4.64 -1.09 0.34 113.55 123.62 1h7x h SER 306 Ca -0.49 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1h7x h SER 306 Cb 1.24 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1h7x h SER 306 CO 0.60 0.16 -0.01 0.11 -0.87 0.00 0.00 176.83 176.82 1h7x h LYS 307 N 0.29 0.00 0.01 4.77 1.79 -1.94 -2.01 116.57 119.48 1h7x h LYS 307 Ca 0.23 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.43 1h7x h LYS 307 Cb 0.54 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.15 1h7x h LYS 307 CO -0.05 0.01 -1.52 -0.25 -1.08 0.00 0.00 179.45 176.56 1h7x n ASP 308 N -3.11 1.89 0.30 0.86 8.00 0.03 -4.49 116.55 120.03 1h7x n ASP 308 Ca -0.01 0.39 -0.14 0.00 0.71 0.00 0.00 54.79 55.75 1h7x n ASP 308 Cb 0.23 -0.93 -0.07 0.00 -0.02 0.00 0.00 41.12 40.33 1h7x n ASP 308 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1h7x h PHE 309 N -0.94 -0.75 -0.73 1.24 3.57 -1.25 -3.25 116.94 114.83 1h7x h PHE 309 Ca -0.41 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.16 1h7x h PHE 309 Cb 1.40 0.25 -0.07 0.00 2.79 0.00 0.00 35.95 40.32 1h7x h PHE 309 CO 0.07 -0.43 0.38 -0.07 -2.23 0.00 0.00 178.31 176.03 1h7x h LEU 310 N -1.14 0.53 -1.61 0.59 3.38 -1.63 -1.47 115.31 113.96 1h7x h LEU 310 Ca -0.08 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1h7x h LEU 310 Cb 0.65 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1h7x h LEU 310 CO 0.14 0.31 -0.06 -0.65 0.09 0.00 0.00 178.44 178.26 1h7x h PRO 311 N 0.66 0.17 -0.32 1.13 0.11 -1.66 -0.32 132.00 131.77 1h7x h PRO 311 Ca 0.35 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.39 1h7x h PRO 311 Cb 0.33 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 1h7x h PRO 311 CO -0.25 0.25 0.02 -0.07 -0.21 0.00 0.00 178.00 177.74 1h7x h LEU 312 N 0.17 0.53 -0.52 2.35 3.38 -1.31 -0.34 115.31 119.57 1h7x h LEU 312 Ca 0.04 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 1h7x h LEU 312 Cb 0.22 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1h7x h LEU 312 CO 0.01 0.69 -0.00 0.58 0.09 0.00 0.00 178.44 179.81 1h7x h VAL 313 N 0.36 1.26 -0.25 1.22 2.07 -0.98 -2.65 116.25 117.27 1h7x h VAL 313 Ca 0.09 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1h7x h VAL 313 Cb 0.41 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1h7x h VAL 313 CO 0.01 0.39 0.13 0.00 0.02 0.00 0.00 177.57 178.12 1h7x h ALA 314 N 0.94 0.33 0.00 1.67 0.00 -0.93 -0.18 119.26 121.09 1h7x h ALA 314 Ca 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1h7x h ALA 314 Cb 0.53 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1h7x h ALA 314 CO 0.03 -0.13 -0.09 0.87 0.00 0.00 0.00 179.25 179.93 1h7x h LYS 315 N 0.29 0.00 0.10 0.00 1.57 -1.02 0.12 116.57 117.63 1h7x h LYS 315 Ca 0.09 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.58 1h7x h LYS 315 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1h7x h LYS 315 CO -0.01 0.09 -1.38 1.03 -0.57 0.00 0.00 179.45 178.61 1h7x h SER 316 N 0.00 0.34 0.02 0.86 0.87 -1.08 -3.38 113.55 111.18 1h7x h SER 316 Ca -0.00 -0.42 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1h7x h SER 316 Cb 0.18 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1h7x h SER 316 CO 0.01 1.34 -1.04 -1.54 -0.53 0.00 0.00 176.83 175.08 1h7x n SER 317 N -3.45 0.92 -4.20 6.23 3.41 -0.12 -4.75 113.62 111.67 1h7x n SER 317 Ca -0.12 -0.91 -0.41 0.00 -0.26 0.00 0.00 58.87 57.18 1h7x n SER 317 Cb 1.03 1.03 -0.08 0.00 -0.26 0.00 0.00 64.21 65.93 1h7x n SER 317 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1h7x s LYS 318 N -3.03 2.68 0.07 4.33 1.02 0.38 -4.98 119.74 120.21 1h7x s LYS 318 Ca 0.07 -2.11 -0.30 0.00 0.02 0.00 0.00 55.97 53.65 1h7x s LYS 318 Cb 0.16 -3.95 -0.09 0.00 -0.52 0.00 0.00 37.83 33.43 1h7x s LYS 318 CO 0.87 -1.20 1.85 0.00 -0.92 0.00 0.00 175.35 175.94 1h7x s ALA 319 N 0.74 3.67 0.00 5.17 0.00 -1.26 -1.81 121.76 128.26 1h7x s ALA 319 Ca 0.11 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1h7x s ALA 319 Cb -0.22 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.12 1h7x s ALA 319 CO -0.03 -1.36 0.00 0.41 0.00 0.00 0.00 175.76 174.78 1h7x n GLY 320 N 4.32 2.34 0.22 0.00 0.00 -1.26 -4.44 105.19 106.37 1h7x n GLY 320 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 1h7x n GLY 320 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1h7x h MET 321 N 2.32 -0.46 -6.05 1.61 -1.53 -1.71 -3.46 114.93 105.65 1h7x h MET 321 Ca 0.00 0.03 -0.63 0.00 -3.44 0.00 0.00 59.70 55.66 1h7x h MET 321 Cb 0.00 0.11 -0.07 0.00 -0.55 0.00 0.00 31.60 31.09 1h7x h MET 321 CO 0.00 -0.16 -0.55 0.00 0.14 0.00 0.00 176.91 176.33 1h7x h ALA 323 N 3.24 1.02 -3.32 0.00 0.00 -1.95 -3.42 119.26 114.83 1h7x h ALA 323 Ca -0.46 -0.12 -0.64 0.00 0.00 0.00 0.00 54.91 53.69 1h7x h ALA 323 Cb 1.16 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 18.73 1h7x h ALA 323 CO 0.70 0.16 -0.65 0.00 0.00 0.00 0.00 179.25 179.47 1h7x s HIS 325 N 0.15 3.54 -0.15 0.00 0.09 -1.26 -4.93 115.29 112.73 1h7x s HIS 325 Ca -0.00 1.25 -0.29 0.00 -0.00 0.00 0.00 55.06 56.02 1h7x s HIS 325 Cb -0.13 -2.65 0.10 0.00 -0.00 0.00 0.00 32.58 29.90 1h7x s HIS 325 CO 0.02 -0.46 0.88 -1.54 -0.00 0.00 0.00 174.74 173.65 1h7x s SER 326 N -3.68 -0.50 0.83 1.40 1.04 -1.26 -5.07 113.70 106.46 1h7x s SER 326 Ca 0.55 0.65 -0.12 0.00 0.48 0.00 0.00 55.95 57.51 1h7x s SER 326 Cb -0.10 0.56 0.09 0.00 0.10 0.00 0.00 66.02 66.66 1h7x s SER 326 CO 0.43 -0.39 1.16 -2.16 0.98 0.00 0.00 173.24 173.26 1h7x s PRO 327 N -0.81 1.82 0.57 4.02 0.04 -1.26 -4.38 135.00 135.00 1h7x s PRO 327 Ca -0.04 0.19 -0.18 0.00 0.04 0.00 0.00 61.00 61.01 1h7x s PRO 327 Cb -0.01 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 1h7x s PRO 327 CO 0.03 -1.71 1.10 -0.51 0.04 0.00 0.00 177.00 175.96 1h7x s LEU 328 N -5.68 3.65 0.46 -3.56 1.43 -1.26 -4.81 118.68 108.90 1h7x s LEU 328 Ca 0.62 2.06 -0.25 0.00 -1.03 0.00 0.00 54.13 55.54 1h7x s LEU 328 Cb -0.12 -4.57 -0.08 0.00 0.03 0.00 0.00 46.19 41.45 1h7x s LEU 328 CO 0.50 -1.26 1.33 -2.65 0.23 0.00 0.00 176.35 174.51 1h7x n PRO 329 N -1.61 1.97 -2.77 1.29 -0.02 -1.26 -4.87 135.00 127.74 1h7x n PRO 329 Ca 0.11 0.71 -0.43 0.00 -2.02 0.00 0.00 63.50 61.87 1h7x n PRO 329 Cb 0.52 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 1h7x n PRO 329 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1h7x s SER 330 N -0.59 6.38 -0.40 2.55 0.15 -1.26 -4.75 113.70 115.78 1h7x s SER 330 Ca 0.63 -1.32 -0.10 0.00 0.70 0.00 0.00 55.95 55.86 1h7x s SER 330 Cb -0.47 -2.47 0.05 0.00 -1.71 0.00 0.00 66.02 61.43 1h7x s SER 330 CO 0.56 -1.40 0.23 -0.63 1.20 0.00 0.00 173.24 173.20 1h7x s ILE 331 N 4.11 4.37 -0.02 6.45 -1.09 -1.13 -5.07 121.20 128.82 1h7x s ILE 331 Ca 0.32 -1.15 0.07 0.00 -2.23 0.00 0.00 60.65 57.66 1h7x s ILE 331 Cb -0.08 -3.56 -0.02 0.00 -1.58 0.00 0.00 42.46 37.22 1h7x s ILE 331 CO 0.01 -0.38 -0.22 -0.13 -1.23 0.00 0.00 174.94 172.99 1h7x s ARG 332 N 1.48 1.80 0.32 2.79 1.81 -1.26 -1.94 118.95 123.95 1h7x s ARG 332 Ca 0.02 -0.80 0.00 0.00 -1.72 0.00 0.00 55.73 53.23 1h7x s ARG 332 Cb -0.21 -1.74 0.00 0.00 -0.45 0.00 0.00 34.95 32.54 1h7x s ARG 332 CO 0.04 0.48 0.00 0.41 -0.68 0.00 0.00 175.30 175.55 1h7x n GLY 333 N 2.52 -0.85 3.74 -3.53 0.00 -1.26 -4.75 105.19 101.05 1h7x n GLY 333 Ca -0.15 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 43.66 1h7x n GLY 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h7x s ALA 334 N -1.87 3.39 -0.10 4.61 0.00 -1.26 -1.15 121.76 125.38 1h7x s ALA 334 Ca 0.00 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.11 1h7x s ALA 334 Cb 0.00 -2.89 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 1h7x s ALA 334 CO 0.00 0.02 -0.15 0.08 0.00 0.00 0.00 175.76 175.71 1h7x s VAL 335 N 0.28 2.91 -0.22 0.00 1.01 0.54 -0.73 120.40 124.19 1h7x s VAL 335 Ca 0.35 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 1h7x s VAL 335 Cb -0.18 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 1h7x s VAL 335 CO 0.19 0.55 -0.02 -0.63 0.00 0.00 0.00 175.10 175.19 1h7x s ILE 336 N -0.00 3.60 -0.20 2.22 1.01 0.25 -0.08 121.20 128.00 1h7x s ILE 336 Ca -0.05 -0.42 -0.05 0.00 0.00 0.00 0.00 60.65 60.14 1h7x s ILE 336 Cb -0.14 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 1h7x s ILE 336 CO 0.04 0.41 -0.00 -0.69 0.00 0.00 0.00 174.94 174.70 1h7x s VAL 337 N 1.38 3.93 -0.25 2.92 1.01 0.60 -0.57 120.40 129.42 1h7x s VAL 337 Ca 0.05 -0.32 -0.10 0.00 0.00 0.00 0.00 61.98 61.60 1h7x s VAL 337 Cb -0.14 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 1h7x s VAL 337 CO -0.01 0.43 0.15 -0.76 0.00 0.00 0.00 175.10 174.91 1h7x s LEU 338 N 0.98 3.96 0.00 3.92 1.43 -0.12 -0.89 118.68 127.96 1h7x s LEU 338 Ca 0.01 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1h7x s LEU 338 Cb -0.14 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.00 1h7x s LEU 338 CO 0.02 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.22 1h7x n GLY 339 N 4.64 3.11 0.99 -3.19 0.00 -0.76 -0.71 105.19 109.27 1h7x n GLY 339 Ca -0.15 -1.92 0.03 0.00 0.00 0.00 0.00 46.02 43.98 1h7x n GLY 339 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h7x n ALA 340 N -1.40 2.28 -2.82 4.61 0.00 -1.26 -4.58 120.51 117.35 1h7x n ALA 340 Ca 0.00 -1.87 -0.08 0.00 0.00 0.00 0.00 53.44 51.49 1h7x n ALA 340 Cb 0.00 -0.61 0.03 0.00 0.00 0.00 0.00 19.45 18.87 1h7x n ALA 340 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h7x n GLY 341 N 0.13 1.57 0.26 0.00 0.00 -1.26 -1.92 105.19 103.97 1h7x n GLY 341 Ca 0.05 -2.11 0.02 0.00 0.00 0.00 0.00 46.02 43.98 1h7x n GLY 341 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1h7x h ASP 342 N -0.04 0.33 -0.64 1.61 3.32 -1.96 -2.55 116.42 116.49 1h7x h ASP 342 Ca -0.10 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.06 1h7x h ASP 342 Cb 0.42 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 1h7x h ASP 342 CO 0.13 0.17 0.40 0.74 -1.72 0.00 0.00 179.24 178.96 1h7x h THR 343 N 0.49 1.07 -0.64 0.35 2.02 -1.94 -2.56 112.91 111.70 1h7x h THR 343 Ca 0.35 -0.27 0.06 0.00 0.77 0.00 0.00 66.41 67.33 1h7x h THR 343 Cb 0.45 0.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.04 1h7x h THR 343 CO -0.32 0.14 0.35 0.00 0.37 0.00 0.00 175.52 176.06 1h7x h ALA 344 N 1.28 0.85 -0.11 6.16 0.00 -1.71 -0.59 119.26 125.15 1h7x h ALA 344 Ca 0.26 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 1h7x h ALA 344 Cb 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1h7x h ALA 344 CO -0.11 0.02 -0.47 0.74 0.00 0.00 0.00 179.25 179.43 1h7x h PHE 345 N 0.65 0.34 0.00 0.00 0.04 -1.44 -1.55 116.94 114.97 1h7x h PHE 345 Ca 0.29 -0.10 -0.13 0.00 2.80 0.00 0.00 57.97 60.82 1h7x h PHE 345 Cb 0.18 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 1h7x h PHE 345 CO -0.08 0.70 -0.62 -0.44 -0.60 0.00 0.00 178.31 177.27 1h7x h ASP 346 N 0.23 0.00 -0.41 2.17 3.32 -1.04 -1.87 116.42 118.82 1h7x h ASP 346 Ca 0.01 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.91 1h7x h ASP 346 Cb 0.92 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 1h7x h ASP 346 CO 0.08 0.62 -0.34 0.00 -1.72 0.00 0.00 179.24 177.88 1h7x h ALA 348 N 0.81 -0.15 -0.60 0.00 0.00 -1.07 -0.45 119.26 117.79 1h7x h ALA 348 Ca 0.08 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1h7x h ALA 348 Cb 0.93 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1h7x h ALA 348 CO 0.09 -0.49 0.07 1.79 0.00 0.00 0.00 179.25 180.71 1h7x h THR 349 N -0.35 1.26 -0.22 0.00 1.35 -1.38 -2.83 112.91 110.73 1h7x h THR 349 Ca -0.02 -1.03 -0.09 0.00 -0.55 0.00 0.00 66.41 64.72 1h7x h THR 349 Cb 0.29 0.72 -0.01 0.00 -1.73 0.00 0.00 68.15 67.42 1h7x h THR 349 CO 0.03 0.38 -0.27 0.28 -0.25 0.00 0.00 175.52 175.69 1h7x h SER 350 N 0.93 0.42 -0.50 5.36 0.02 -1.13 -2.72 113.55 115.92 1h7x h SER 350 Ca 0.18 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1h7x h SER 350 Cb 0.45 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 1h7x h SER 350 CO 0.02 0.68 0.28 0.00 -1.14 0.00 0.00 176.83 176.67 1h7x h ALA 351 N 1.35 1.51 -0.49 3.77 0.00 -0.82 -1.53 119.26 123.04 1h7x h ALA 351 Ca 0.05 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1h7x h ALA 351 Cb 0.67 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1h7x h ALA 351 CO 0.05 0.41 0.07 -0.07 0.00 0.00 0.00 179.25 179.70 1h7x h LEU 352 N 0.73 0.73 -1.51 0.00 3.38 -1.40 -1.86 115.31 115.38 1h7x h LEU 352 Ca 0.19 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1h7x h LEU 352 Cb 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1h7x h LEU 352 CO -0.03 0.76 -0.18 0.03 0.09 0.00 0.00 178.44 179.11 1h7x h ARG 353 N 0.74 0.00 -0.02 1.13 -0.00 -1.26 -2.26 114.38 112.71 1h7x h ARG 353 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.64 1h7x h ARG 353 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.32 1h7x h ARG 353 CO 0.01 0.18 0.00 0.00 0.00 0.00 0.00 179.97 180.15 1h7x n GLY 355 N 1.09 0.97 3.71 0.00 0.00 -0.85 -2.83 105.19 107.27 1h7x n GLY 355 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1h7x n GLY 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h7x n ALA 356 N -1.74 1.64 0.09 4.61 0.00 -0.82 -4.56 120.51 119.73 1h7x n ALA 356 Ca 0.00 0.38 -0.18 0.00 0.00 0.00 0.00 53.44 53.64 1h7x n ALA 356 Cb 0.00 -2.33 -0.10 0.00 0.00 0.00 0.00 19.45 17.02 1h7x n ALA 356 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1h7x h ARG 357 N 3.77 0.49 -2.67 0.00 2.43 -1.40 -3.45 114.38 113.55 1h7x h ARG 357 Ca -0.46 -0.64 -0.10 0.00 -0.81 0.00 0.00 59.98 57.97 1h7x h ARG 357 Cb 1.26 0.21 -0.21 0.00 -0.42 0.00 0.00 29.97 30.81 1h7x h ARG 357 CO 0.72 1.26 -0.15 0.50 -1.51 0.00 0.00 179.97 180.80 1h7x s ARG 358 N -3.01 0.70 -0.07 0.20 3.52 -1.11 -5.00 118.95 114.18 1h7x s ARG 358 Ca -0.07 0.21 0.03 0.00 -0.13 0.00 0.00 55.73 55.77 1h7x s ARG 358 Cb 0.07 0.32 0.01 0.00 -1.56 0.00 0.00 34.95 33.79 1h7x s ARG 358 CO 0.90 -0.17 -0.14 0.08 -0.81 0.00 0.00 175.30 175.17 1h7x s VAL 359 N -0.70 1.27 -0.17 7.11 1.01 -1.26 -0.34 120.40 127.31 1h7x s VAL 359 Ca -0.08 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 1h7x s VAL 359 Cb -0.03 -1.14 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 1h7x s VAL 359 CO 0.04 0.38 -0.13 -0.36 0.00 0.00 0.00 175.10 175.04 1h7x s PHE 360 N 0.55 2.83 -0.35 5.22 0.40 0.89 -1.33 117.98 126.18 1h7x s PHE 360 Ca -0.14 -1.01 -0.14 0.00 -0.60 0.00 0.00 56.93 55.05 1h7x s PHE 360 Cb -0.15 -1.94 -0.01 0.00 0.51 0.00 0.00 43.02 41.43 1h7x s PHE 360 CO 0.04 -0.48 0.31 -0.51 0.70 0.00 0.00 175.22 175.28 1h7x s LEU 361 N 0.93 4.52 -0.18 -0.37 1.43 0.64 -0.29 118.68 125.36 1h7x s LEU 361 Ca -0.03 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1h7x s LEU 361 Cb -0.15 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.83 1h7x s LEU 361 CO -0.01 -0.31 -0.13 -0.69 0.23 0.00 0.00 176.35 175.44 1h7x s VAL 362 N 1.87 2.70 0.14 -1.59 1.01 -0.07 -0.57 120.40 123.89 1h7x s VAL 362 Ca 0.09 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.41 1h7x s VAL 362 Cb -0.17 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1h7x s VAL 362 CO 0.11 0.49 -0.19 0.72 0.00 0.00 0.00 175.10 176.24 1h7x s PHE 363 N 1.18 1.75 -1.35 5.22 -0.71 -0.88 -1.83 117.98 121.36 1h7x s PHE 363 Ca 0.02 -0.46 0.29 0.00 -1.04 0.00 0.00 56.93 55.74 1h7x s PHE 363 Cb -0.14 -0.91 1.44 0.00 -1.21 0.00 0.00 43.02 42.20 1h7x s PHE 363 CO -0.05 0.26 2.01 2.89 -1.34 0.00 0.00 175.22 178.98 1h7x n ARG 364 N 0.62 0.34 -1.49 1.99 1.85 -1.06 -1.24 116.66 117.67 1h7x n ARG 364 Ca -0.16 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.70 1h7x n ARG 364 Cb 0.56 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.47 1h7x n ARG 364 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1h7x n LYS 365 N -1.33 2.51 -2.59 2.89 5.02 -1.26 -4.21 118.16 119.20 1h7x n LYS 365 Ca 0.13 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.18 1h7x n LYS 365 Cb 0.25 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.37 1h7x n LYS 365 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1h7x s GLY 366 N -0.75 1.76 0.23 0.72 0.00 -1.26 -0.81 107.32 107.21 1h7x s GLY 366 Ca 0.00 -1.71 -0.07 0.00 0.00 0.00 0.00 44.72 42.94 1h7x s GLY 366 CO 0.00 -1.15 1.89 0.74 0.00 0.00 0.00 173.10 174.58 1h7x h PHE 367 N -0.50 1.09 0.00 1.90 -1.00 -1.98 -1.15 116.94 115.29 1h7x h PHE 367 Ca -0.37 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.44 1h7x h PHE 367 Cb 1.27 -0.36 -0.00 0.00 3.61 0.00 0.00 35.95 40.47 1h7x h PHE 367 CO -0.16 0.65 -0.01 -0.39 -1.61 0.00 0.00 178.31 176.80 1h7x h VAL 368 N 1.15 0.31 -0.09 -0.55 -1.51 -2.05 -2.13 116.25 111.38 1h7x h VAL 368 Ca 0.34 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.77 1h7x h VAL 368 Cb -0.06 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.13 1h7x h VAL 368 CO -0.09 0.01 0.00 0.59 -1.23 0.00 0.00 177.57 176.84 1h7x n ASN 369 N -3.52 1.61 -4.70 4.19 4.13 -0.44 -4.93 115.26 111.60 1h7x n ASN 369 Ca -0.03 -1.60 -0.43 0.00 1.68 0.00 0.00 54.58 54.20 1h7x n ASN 369 Cb 0.09 -0.05 -0.02 0.00 -1.54 0.00 0.00 39.78 38.26 1h7x n ASN 369 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1h7x n ILE 370 N 0.26 1.17 0.12 2.41 5.41 -0.80 -4.91 119.36 123.01 1h7x n ILE 370 Ca 0.18 -0.29 -0.23 0.00 1.00 0.00 0.00 62.75 63.41 1h7x n ILE 370 Cb 0.35 -1.63 -0.15 0.00 -0.71 0.00 0.00 39.64 37.50 1h7x n ILE 370 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1h7x h ARG 371 N 4.06 0.46 -7.10 0.38 3.08 -1.74 -3.47 114.38 110.05 1h7x h ARG 371 Ca -0.46 -0.78 -0.53 0.00 0.07 0.00 0.00 59.98 58.29 1h7x h ARG 371 Cb 1.26 0.29 0.11 0.00 0.08 0.00 0.00 29.97 31.71 1h7x h ARG 371 CO 0.74 1.36 0.47 0.00 -1.07 0.00 0.00 179.97 181.47 1h7x s ALA 372 N -2.60 2.56 0.71 0.04 0.00 -1.14 -4.92 121.76 116.40 1h7x s ALA 372 Ca -0.11 0.99 -0.15 0.00 0.00 0.00 0.00 51.96 52.69 1h7x s ALA 372 Cb 0.05 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.75 1h7x s ALA 372 CO 0.91 -1.13 1.17 0.14 0.00 0.00 0.00 175.76 176.85 1h7x s VAL 373 N -1.62 2.60 0.35 0.00 -7.23 -1.26 -4.79 120.40 108.46 1h7x s VAL 373 Ca 0.77 0.29 0.11 0.00 -1.81 0.00 0.00 61.98 61.34 1h7x s VAL 373 Cb -0.30 -2.84 0.34 0.00 0.56 0.00 0.00 36.38 34.14 1h7x s VAL 373 CO 0.32 -0.16 1.80 -0.65 -0.31 0.00 0.00 175.10 176.10 1h7x h PRO 374 N -0.19 0.60 -0.56 4.82 0.11 -1.97 -1.58 132.00 133.22 1h7x h PRO 374 Ca -0.47 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1h7x h PRO 374 Cb 1.28 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1h7x h PRO 374 CO 0.51 0.39 0.28 0.93 -0.21 0.00 0.00 178.00 179.91 1h7x h GLU 375 N 0.61 0.78 -0.06 1.05 3.07 -1.99 0.10 114.58 118.14 1h7x h GLU 375 Ca 0.55 -0.09 -0.17 0.00 -0.50 0.00 0.00 59.36 59.15 1h7x h GLU 375 Cb 1.06 -0.15 0.01 0.00 -0.84 0.00 0.00 28.75 28.83 1h7x h GLU 375 CO -0.31 0.60 -0.64 1.49 -1.40 0.00 0.00 179.01 178.74 1h7x h GLU 376 N 0.78 0.54 -0.85 2.33 4.57 -1.66 -3.20 114.58 117.10 1h7x h GLU 376 Ca 0.20 -0.50 -0.00 0.00 -1.18 0.00 0.00 59.36 57.87 1h7x h GLU 376 Cb 0.06 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 1h7x h GLU 376 CO -0.03 1.13 0.51 0.28 -1.18 0.00 0.00 179.01 179.73 1h7x h VAL 377 N 0.13 1.23 -0.77 0.32 2.07 -1.06 -2.60 116.25 115.58 1h7x h VAL 377 Ca -0.06 -0.50 0.09 0.00 0.82 0.00 0.00 66.70 67.05 1h7x h VAL 377 Cb 1.31 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 1h7x h VAL 377 CO 0.13 0.24 0.50 -0.08 0.02 0.00 0.00 177.57 178.39 1h7x h GLU 378 N 1.16 0.69 -0.72 1.57 4.57 -0.80 -1.27 114.58 119.78 1h7x h GLU 378 Ca 0.30 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.41 1h7x h GLU 378 Cb -0.06 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.35 1h7x h GLU 378 CO -0.06 0.46 0.32 -0.07 -1.18 0.00 0.00 179.01 178.48 1h7x h LEU 379 N 0.71 0.97 -0.22 1.64 3.38 -1.48 0.16 115.31 120.47 1h7x h LEU 379 Ca 0.35 -0.15 -0.21 0.00 0.09 0.00 0.00 57.88 57.96 1h7x h LEU 379 Cb 0.42 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.93 1h7x h LEU 379 CO -0.13 0.85 -0.76 0.00 0.09 0.00 0.00 178.44 178.49 1h7x h ALA 380 N 1.16 0.38 -0.32 1.53 0.00 -1.47 -2.96 119.26 117.58 1h7x h ALA 380 Ca 0.25 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1h7x h ALA 380 Cb 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1h7x h ALA 380 CO -0.03 0.70 0.13 -0.22 0.00 0.00 0.00 179.25 179.84 1h7x h LYS 381 N 0.49 0.47 0.00 0.00 3.64 -0.96 -1.84 116.57 118.37 1h7x h LYS 381 Ca -0.05 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1h7x h LYS 381 Cb 1.37 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1h7x h LYS 381 CO 0.15 0.47 -0.08 1.05 -2.27 0.00 0.00 179.45 178.77 1h7x h GLU 382 N 0.37 0.00 -0.65 1.90 4.11 -0.74 -1.80 114.58 117.77 1h7x h GLU 382 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 1h7x h GLU 382 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1h7x h GLU 382 CO -0.01 0.08 0.00 0.39 0.07 0.00 0.00 179.01 179.54 1h7x n GLU 383 N -3.32 3.20 -2.73 1.06 1.02 -0.98 -4.89 120.64 114.00 1h7x n GLU 383 Ca -0.01 -2.03 -0.17 0.00 -0.02 0.00 0.00 57.16 54.93 1h7x n GLU 383 Cb 0.28 -1.83 0.02 0.00 -0.02 0.00 0.00 31.44 29.89 1h7x n GLU 383 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1h7x n LYS 384 N 0.59 -3.27 -2.63 3.49 4.76 -0.68 -4.85 118.16 115.57 1h7x n LYS 384 Ca 0.18 0.72 -0.39 0.00 -2.87 0.00 0.00 58.31 55.96 1h7x n LYS 384 Cb 0.75 -5.15 -0.05 0.00 -1.84 0.00 0.00 35.03 28.74 1h7x n LYS 384 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1h7x s GLU 386 N -1.71 4.00 -0.18 0.00 2.56 -0.44 -4.73 118.70 118.20 1h7x s GLU 386 Ca 0.47 0.51 -0.02 0.00 0.00 0.00 0.00 54.97 55.93 1h7x s GLU 386 Cb -0.26 -3.10 -0.01 0.00 2.00 0.00 0.00 34.13 32.76 1h7x s GLU 386 CO 0.32 0.59 -0.08 -0.06 -0.56 0.00 0.00 175.26 175.47 1h7x s PHE 387 N -1.26 2.91 -0.32 5.30 0.40 -1.26 -0.26 117.98 123.49 1h7x s PHE 387 Ca 0.31 -0.77 0.03 0.00 -0.60 0.00 0.00 56.93 55.90 1h7x s PHE 387 Cb -0.17 -1.98 0.09 0.00 0.51 0.00 0.00 43.02 41.47 1h7x s PHE 387 CO 0.17 -0.37 0.02 -0.51 0.70 0.00 0.00 175.22 175.24 1h7x s LEU 388 N 0.91 4.42 0.73 -0.37 1.43 0.27 -4.97 118.68 121.10 1h7x s LEU 388 Ca -0.02 -1.90 -0.08 0.00 -1.03 0.00 0.00 54.13 51.10 1h7x s LEU 388 Cb -0.15 -1.63 0.06 0.00 0.03 0.00 0.00 46.19 44.50 1h7x s LEU 388 CO 0.00 -0.34 1.06 -2.16 0.23 0.00 0.00 176.35 175.15 1h7x s PRO 389 N 0.99 2.18 -1.49 1.29 0.04 -1.26 -2.07 135.00 134.68 1h7x s PRO 389 Ca 0.05 -0.11 -0.06 0.00 0.04 0.00 0.00 61.00 60.91 1h7x s PRO 389 Cb -0.20 -2.10 0.05 0.00 0.04 0.00 0.00 34.50 32.29 1h7x s PRO 389 CO -0.06 -1.32 0.61 1.19 0.04 0.00 0.00 177.00 177.46 1h7x n PHE 390 N -3.03 -1.78 -4.38 0.56 3.72 0.01 -4.88 117.46 107.68 1h7x n PHE 390 Ca 0.08 0.79 -0.22 0.00 -0.05 0.00 0.00 57.45 58.05 1h7x n PHE 390 Cb 0.60 -3.64 -0.16 0.00 -0.94 0.00 0.00 39.48 35.34 1h7x n PHE 390 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1h7x s LEU 391 N -7.06 1.50 -0.16 4.37 1.43 -0.37 -1.88 118.68 116.50 1h7x s LEU 391 Ca 0.27 -0.21 -0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1h7x s LEU 391 Cb -0.15 -0.63 -0.00 0.00 0.03 0.00 0.00 46.19 45.44 1h7x s LEU 391 CO 0.88 -0.01 -0.14 -0.55 0.23 0.00 0.00 176.35 176.76 1h7x s SER 392 N 0.77 3.74 0.34 2.29 0.15 -0.33 -2.55 113.70 118.11 1h7x s SER 392 Ca -0.13 -0.45 -0.29 0.00 0.70 0.00 0.00 55.95 55.78 1h7x s SER 392 Cb -0.15 -1.58 -0.12 0.00 -1.71 0.00 0.00 66.02 62.46 1h7x s SER 392 CO 0.02 0.08 1.48 -2.65 1.20 0.00 0.00 173.24 173.37 1h7x n PRO 393 N 4.08 2.54 0.00 5.44 -0.02 -1.26 -1.04 135.00 144.73 1h7x n PRO 393 Ca -0.19 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1h7x n PRO 393 Cb 0.52 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1h7x n PRO 393 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1h7x n ARG 394 N 1.05 0.63 -3.62 -0.52 5.12 0.75 -4.85 116.66 115.21 1h7x n ARG 394 Ca 0.05 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.82 1h7x n ARG 394 Cb 0.37 -0.81 -0.07 0.00 -1.16 0.00 0.00 32.46 30.79 1h7x n ARG 394 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1h7x s LYS 395 N -1.63 0.84 -0.32 5.56 2.20 -0.87 -4.90 119.74 120.61 1h7x s LYS 395 Ca 0.00 0.82 -0.10 0.00 -0.36 0.00 0.00 55.97 56.32 1h7x s LYS 395 Cb 0.00 0.41 -0.01 0.00 -1.51 0.00 0.00 37.83 36.72 1h7x s LYS 395 CO 0.00 -0.14 0.17 0.08 -0.36 0.00 0.00 175.35 175.11 1h7x s VAL 396 N 0.08 4.71 -0.22 4.02 1.01 -1.26 0.59 120.40 129.33 1h7x s VAL 396 Ca -0.02 -0.42 -0.26 0.00 0.00 0.00 0.00 61.98 61.28 1h7x s VAL 396 Cb -0.04 -3.42 -0.00 0.00 0.00 0.00 0.00 36.38 32.92 1h7x s VAL 396 CO 0.02 0.03 0.91 -0.63 0.00 0.00 0.00 175.10 175.44 1h7x s ILE 397 N 1.63 4.78 -0.12 2.22 -1.09 0.77 -5.00 121.20 124.40 1h7x s ILE 397 Ca 0.05 1.76 0.02 0.00 -2.23 0.00 0.00 60.65 60.24 1h7x s ILE 397 Cb -0.17 -4.20 -0.01 0.00 -1.58 0.00 0.00 42.46 36.50 1h7x s ILE 397 CO 0.07 -0.09 -0.18 -0.69 -1.23 0.00 0.00 174.94 172.82 1h7x s VAL 398 N 2.84 2.63 0.00 2.92 1.01 -1.26 -0.73 120.40 127.81 1h7x s VAL 398 Ca 0.39 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 1h7x s VAL 398 Cb -0.15 -2.07 -0.00 0.00 0.00 0.00 0.00 36.38 34.16 1h7x s VAL 398 CO 0.08 0.54 0.00 -0.54 0.00 0.00 0.00 175.10 175.18 1h7x s LYS 399 N 0.35 0.04 -1.57 2.72 1.02 0.60 -4.82 119.74 118.08 1h7x s LYS 399 Ca -0.14 -0.06 -0.00 0.00 0.02 0.00 0.00 55.97 55.78 1h7x s LYS 399 Cb -0.17 0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.16 1h7x s LYS 399 CO 0.07 -0.01 0.03 0.41 -0.92 0.00 0.00 175.35 174.94 1h7x n GLY 400 N 2.90 -0.50 2.27 -3.33 0.00 -1.26 -1.15 105.19 104.13 1h7x n GLY 400 Ca -0.13 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1h7x n GLY 400 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h7x n GLY 401 N -0.98 0.55 3.10 -0.02 0.00 -1.26 -5.02 105.19 101.56 1h7x n GLY 401 Ca -0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 1h7x n GLY 401 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h7x s ARG 402 N -0.14 0.65 0.27 1.61 0.52 -0.30 -4.47 118.95 117.09 1h7x s ARG 402 Ca 0.00 -0.91 -0.29 0.00 -0.52 0.00 0.00 55.73 54.00 1h7x s ARG 402 Cb 0.00 -0.38 -0.10 0.00 0.52 0.00 0.00 34.95 35.00 1h7x s ARG 402 CO 0.00 0.06 1.28 0.42 0.02 0.00 0.00 175.30 177.09 1h7x s ILE 403 N -1.80 3.01 0.00 1.52 1.01 -0.92 -0.29 121.20 123.72 1h7x s ILE 403 Ca -0.04 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.54 1h7x s ILE 403 Cb -0.07 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.81 1h7x s ILE 403 CO -0.00 0.19 0.00 1.33 0.00 0.00 0.00 174.94 176.46 1h7x n VAL 404 N 1.63 0.00 -3.61 2.92 0.24 0.09 -4.50 118.33 115.10 1h7x n VAL 404 Ca 0.02 -0.25 -0.00 0.00 -2.04 0.00 0.00 64.34 62.07 1h7x n VAL 404 Cb 0.42 0.82 -0.01 0.00 -1.47 0.00 0.00 33.84 33.61 1h7x n VAL 404 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1h7x s ALA 405 N -0.88 -2.20 -0.04 2.33 0.00 -1.19 -2.28 121.76 117.50 1h7x s ALA 405 Ca 0.00 0.98 0.02 0.00 0.00 0.00 0.00 51.96 52.96 1h7x s ALA 405 Cb 0.00 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.34 1h7x s ALA 405 CO 0.00 -0.92 -0.08 0.08 0.00 0.00 0.00 175.76 174.84 1h7x s VAL 406 N -2.40 0.74 -0.19 0.00 1.01 -0.10 -0.16 120.40 119.30 1h7x s VAL 406 Ca 0.13 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 1h7x s VAL 406 Cb 0.03 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 1h7x s VAL 406 CO -0.04 0.25 0.13 -1.58 0.00 0.00 0.00 175.10 173.86 1h7x s GLN 407 N 0.49 4.11 0.32 2.72 0.74 0.20 -1.71 119.66 126.53 1h7x s GLN 407 Ca -0.08 -0.21 0.08 0.00 0.05 0.00 0.00 55.36 55.20 1h7x s GLN 407 Cb -0.12 -3.39 -0.06 0.00 1.10 0.00 0.00 33.01 30.54 1h7x s GLN 407 CO 0.01 0.35 -0.08 -0.06 -0.55 0.00 0.00 175.29 174.96 1h7x s PHE 408 N 0.22 2.22 0.14 1.67 0.40 0.32 -0.18 117.98 122.78 1h7x s PHE 408 Ca 0.09 -0.58 0.10 0.00 -0.60 0.00 0.00 56.93 55.93 1h7x s PHE 408 Cb -0.11 -1.28 -0.04 0.00 0.51 0.00 0.00 43.02 42.10 1h7x s PHE 408 CO -0.01 0.46 -0.24 0.14 0.70 0.00 0.00 175.22 176.26 1h7x s VAL 409 N -2.78 2.13 0.48 -0.44 -7.23 -0.20 -1.14 120.40 111.22 1h7x s VAL 409 Ca 0.31 -1.80 -0.20 0.00 -1.81 0.00 0.00 61.98 58.48 1h7x s VAL 409 Cb 0.03 -1.93 -0.09 0.00 0.56 0.00 0.00 36.38 34.96 1h7x s VAL 409 CO 0.15 -0.04 1.01 -0.60 -0.31 0.00 0.00 175.10 175.32 1h7x s ARG 410 N -2.26 3.89 0.30 4.82 3.52 -0.11 -1.19 118.95 127.92 1h7x s ARG 410 Ca 0.14 1.27 0.08 0.00 -0.13 0.00 0.00 55.73 57.09 1h7x s ARG 410 Cb -0.09 -2.11 -0.06 0.00 -1.56 0.00 0.00 34.95 31.13 1h7x s ARG 410 CO 0.07 -0.35 -0.08 0.95 -0.81 0.00 0.00 175.30 175.09 1h7x s THR 411 N -2.09 1.89 0.11 4.11 -4.23 -0.79 0.19 115.64 114.83 1h7x s THR 411 Ca 0.65 -2.16 -0.26 0.00 -1.18 0.00 0.00 61.69 58.74 1h7x s THR 411 Cb -0.14 -2.52 0.08 0.00 1.34 0.00 0.00 72.50 71.26 1h7x s THR 411 CO 0.20 -0.27 1.08 -1.83 -0.54 0.00 0.00 174.62 173.26 1h7x s GLU 412 N -3.68 0.98 -0.04 3.99 -1.05 -0.26 -4.87 118.70 113.77 1h7x s GLU 412 Ca 0.31 -0.57 0.06 0.00 -0.15 0.00 0.00 54.97 54.62 1h7x s GLU 412 Cb 0.03 0.32 -0.02 0.00 -0.44 0.00 0.00 34.13 34.02 1h7x s GLU 412 CO 0.14 -0.45 -0.22 -0.65 0.95 0.00 0.00 175.26 175.03 1h7x s GLN 413 N -2.77 2.37 0.11 -4.83 -0.21 -1.26 0.43 119.66 113.50 1h7x s GLN 413 Ca 0.16 -0.85 -0.11 0.00 0.02 0.00 0.00 55.36 54.57 1h7x s GLN 413 Cb 0.00 -2.19 -0.06 0.00 1.00 0.00 0.00 33.01 31.76 1h7x s GLN 413 CO 0.01 0.53 0.46 0.16 -2.12 0.00 0.00 175.29 174.33 1h7x s ASP 414 N -0.51 6.70 0.00 5.90 -4.77 0.11 -4.91 116.67 119.19 1h7x s ASP 414 Ca 0.07 0.90 0.00 0.00 -3.30 0.00 0.00 52.55 50.21 1h7x s ASP 414 Cb -0.11 -2.22 0.00 0.00 -1.09 0.00 0.00 42.92 39.50 1h7x s ASP 414 CO 0.01 0.13 0.24 -0.62 0.70 0.00 0.00 175.17 175.63 1h7x n GLU 415 N 0.79 0.00 -0.00 2.11 1.02 -1.26 0.17 120.64 123.46 1h7x n GLU 415 Ca -0.06 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.17 1h7x n GLU 415 Cb 0.52 -1.37 -0.13 0.00 -0.02 0.00 0.00 31.44 30.44 1h7x n GLU 415 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1h7x n THR 416 N -0.62 0.00 0.00 2.62 -2.24 -1.26 -4.98 114.28 107.81 1h7x n THR 416 Ca 0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1h7x n THR 416 Cb 0.24 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1h7x n THR 416 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h7x n GLY 417 N 1.42 1.14 3.83 3.38 0.00 0.45 -5.10 105.19 110.31 1h7x n GLY 417 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1h7x n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h7x s LYS 418 N -0.55 4.04 -0.12 1.61 1.02 -1.20 -4.83 119.74 119.72 1h7x s LYS 418 Ca 0.00 0.56 -0.12 0.00 0.02 0.00 0.00 55.97 56.43 1h7x s LYS 418 Cb 0.00 -3.11 -0.05 0.00 -0.52 0.00 0.00 37.83 34.16 1h7x s LYS 418 CO 0.00 0.59 0.27 -1.58 -0.92 0.00 0.00 175.35 173.70 1h7x s TRP 419 N -1.25 3.55 0.20 3.18 0.52 -1.26 0.05 118.94 123.93 1h7x s TRP 419 Ca 0.31 0.64 0.07 0.00 0.02 0.00 0.00 56.10 57.14 1h7x s TRP 419 Cb -0.17 -2.22 -0.05 0.00 -1.15 0.00 0.00 33.47 29.88 1h7x s TRP 419 CO 0.18 0.44 -0.12 -0.80 0.02 0.00 0.00 176.95 176.68 1h7x s ASN 420 N -0.22 2.34 -0.08 2.95 0.01 0.17 -4.94 114.94 115.17 1h7x s ASN 420 Ca 0.17 -1.05 0.02 0.00 -0.71 0.00 0.00 52.86 51.29 1h7x s ASN 420 Cb -0.13 -0.10 -0.02 0.00 0.41 0.00 0.00 41.25 41.41 1h7x s ASN 420 CO 0.05 -0.25 -0.15 -1.61 -1.51 0.00 0.00 177.10 173.64 1h7x s GLU 421 N -3.69 2.86 -0.51 -0.60 2.02 -1.26 -1.10 118.70 116.42 1h7x s GLU 421 Ca 0.22 -0.71 -0.14 0.00 0.02 0.00 0.00 54.97 54.36 1h7x s GLU 421 Cb 0.01 -2.46 0.11 0.00 0.10 0.00 0.00 34.13 31.89 1h7x s GLU 421 CO 0.06 0.44 0.44 -0.51 0.02 0.00 0.00 175.26 175.71 1h7x s ASP 422 N -0.25 6.07 0.35 -0.19 1.01 0.13 -4.96 116.67 118.84 1h7x s ASP 422 Ca 0.01 -1.68 0.07 0.00 0.71 0.00 0.00 52.55 51.66 1h7x s ASP 422 Cb -0.13 -2.16 0.77 0.00 1.01 0.00 0.00 42.92 42.40 1h7x s ASP 422 CO 0.03 -0.77 1.90 -0.33 0.21 0.00 0.00 175.17 176.21 1h7x h GLU 423 N 8.76 0.72 0.00 8.23 4.39 -1.98 -2.04 114.58 132.67 1h7x h GLU 423 Ca -0.28 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.38 1h7x h GLU 423 Cb 1.10 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1h7x h GLU 423 CO 0.96 0.48 0.00 -0.40 -1.16 0.00 0.00 179.01 178.89 1h7x n ASP 424 N -4.53 0.00 -4.12 1.42 5.75 -1.26 -4.47 116.55 109.35 1h7x n ASP 424 Ca 0.15 0.36 -0.37 0.00 -0.01 0.00 0.00 54.79 54.92 1h7x n ASP 424 Cb 0.37 -0.45 -0.10 0.00 -1.03 0.00 0.00 41.12 39.90 1h7x n ASP 424 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1h7x s GLN 425 N -2.90 2.30 0.31 0.11 -0.21 -0.77 -5.08 119.66 113.42 1h7x s GLN 425 Ca 0.16 -2.14 0.09 0.00 0.02 0.00 0.00 55.36 53.48 1h7x s GLN 425 Cb 0.17 -3.68 -0.04 0.00 1.00 0.00 0.00 33.01 30.46 1h7x s GLN 425 CO 0.45 -1.13 0.10 0.96 -2.12 0.00 0.00 175.29 173.55 1h7x s ILE 426 N 0.61 3.26 -0.03 1.08 -4.36 -1.26 -0.93 121.20 119.56 1h7x s ILE 426 Ca 0.12 -1.75 0.01 0.00 -0.26 0.00 0.00 60.65 58.77 1h7x s ILE 426 Cb -0.22 -2.96 0.02 0.00 1.25 0.00 0.00 42.46 40.55 1h7x s ILE 426 CO -0.04 -0.26 -0.04 -0.69 0.24 0.00 0.00 174.94 174.16 1h7x s VAL 427 N -2.37 0.47 -0.49 8.37 1.01 -0.29 -4.96 120.40 122.15 1h7x s VAL 427 Ca 0.35 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 1h7x s VAL 427 Cb -0.04 -0.49 0.13 0.00 0.00 0.00 0.00 36.38 35.98 1h7x s VAL 427 CO 0.22 0.20 0.29 -2.28 0.00 0.00 0.00 175.10 173.53 1h7x s HIS 428 N 0.72 3.52 -0.25 5.22 5.04 -1.26 -0.52 115.29 127.75 1h7x s HIS 428 Ca -0.09 -2.51 -0.11 0.00 -1.54 0.00 0.00 55.06 50.80 1h7x s HIS 428 Cb -0.12 -3.22 -0.05 0.00 0.04 0.00 0.00 32.58 29.23 1h7x s HIS 428 CO -0.00 -0.93 0.19 -1.17 -2.34 0.00 0.00 174.74 170.49 1h7x s LEU 429 N 0.71 4.08 0.34 8.88 2.96 -0.69 -4.95 118.68 130.01 1h7x s LEU 429 Ca 0.11 0.10 -0.28 0.00 -0.22 0.00 0.00 54.13 53.84 1h7x s LEU 429 Cb -0.22 -2.14 -0.10 0.00 0.50 0.00 0.00 46.19 44.23 1h7x s LEU 429 CO -0.04 0.01 1.21 -0.54 -1.32 0.00 0.00 176.35 175.68 1h7x s LYS 430 N 1.34 4.34 -0.09 1.98 1.02 -1.26 -0.92 119.74 126.14 1h7x s LYS 430 Ca 0.08 2.01 -0.30 0.00 0.02 0.00 0.00 55.97 57.78 1h7x s LYS 430 Cb -0.14 -2.99 0.11 0.00 -0.52 0.00 0.00 37.83 34.28 1h7x s LYS 430 CO 0.07 -0.12 0.88 0.00 -0.92 0.00 0.00 175.35 175.26 1h7x s ALA 431 N -1.22 -1.86 -0.06 5.17 0.00 -0.97 -4.89 121.76 117.94 1h7x s ALA 431 Ca 0.50 1.39 0.11 0.00 0.00 0.00 0.00 51.96 53.96 1h7x s ALA 431 Cb -0.35 -0.29 -0.17 0.00 0.00 0.00 0.00 23.12 22.31 1h7x s ALA 431 CO 0.46 -0.40 0.16 -0.25 0.00 0.00 0.00 175.76 175.73 1h7x n ASP 432 N 0.60 2.16 -3.98 0.00 8.00 0.09 -3.36 116.55 120.07 1h7x n ASP 432 Ca -0.13 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.21 1h7x n ASP 432 Cb 0.58 1.19 -0.14 0.00 -0.02 0.00 0.00 41.12 42.73 1h7x n ASP 432 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1h7x s VAL 433 N -2.58 0.48 -0.07 2.53 1.01 -0.94 -4.58 120.40 116.25 1h7x s VAL 433 Ca -0.05 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1h7x s VAL 433 Cb 0.06 -0.42 0.02 0.00 0.00 0.00 0.00 36.38 36.04 1h7x s VAL 433 CO 0.50 0.12 -0.11 -0.69 0.00 0.00 0.00 175.10 174.91 1h7x s VAL 434 N -0.19 1.12 -0.17 2.92 1.01 -0.11 -0.58 120.40 124.40 1h7x s VAL 434 Ca 0.02 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1h7x s VAL 434 Cb -0.03 -1.04 0.03 0.00 0.00 0.00 0.00 36.38 35.34 1h7x s VAL 434 CO -0.00 0.36 -0.12 -0.63 0.00 0.00 0.00 175.10 174.71 1h7x s ILE 435 N 0.84 1.57 -0.07 2.22 1.01 0.26 -1.20 121.20 125.83 1h7x s ILE 435 Ca -0.11 -0.81 -0.22 0.00 0.00 0.00 0.00 60.65 59.51 1h7x s ILE 435 Cb -0.15 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 1h7x s ILE 435 CO 0.02 0.30 0.62 -0.94 0.00 0.00 0.00 174.94 174.94 1h7x s SER 436 N 1.45 6.90 -0.48 3.58 1.04 -0.26 -0.95 113.70 124.99 1h7x s SER 436 Ca 0.02 1.08 0.08 0.00 0.48 0.00 0.00 55.95 57.61 1h7x s SER 436 Cb -0.15 -2.37 0.36 0.00 0.10 0.00 0.00 66.02 63.97 1h7x s SER 436 CO -0.09 -0.05 0.91 0.00 0.98 0.00 0.00 173.24 174.99 1h7x n ALA 437 N 3.58 3.92 1.78 5.32 0.00 0.11 -0.41 120.51 134.81 1h7x n ALA 437 Ca -0.04 -4.18 0.14 0.00 0.00 0.00 0.00 53.44 49.37 1h7x n ALA 437 Cb 0.51 -0.77 0.73 0.00 0.00 0.00 0.00 19.45 19.92 1h7x n ALA 437 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1h7x n PHE 438 N -0.13 0.01 0.00 0.00 3.72 -1.26 -4.57 117.46 115.24 1h7x n PHE 438 Ca 0.29 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.68 1h7x n PHE 438 Cb 0.54 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 1h7x n PHE 438 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1h7x n GLY 439 N 1.05 -1.17 3.31 1.37 0.00 -1.26 -4.74 105.19 103.75 1h7x n GLY 439 Ca 0.21 -2.17 -0.16 0.00 0.00 0.00 0.00 46.02 43.90 1h7x n GLY 439 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h7x s SER 440 N -3.20 1.85 0.30 1.61 0.01 -1.26 -0.83 113.70 112.17 1h7x s SER 440 Ca 0.00 -1.15 -0.11 0.00 1.31 0.00 0.00 55.95 56.00 1h7x s SER 440 Cb 0.00 -0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.24 1h7x s SER 440 CO 0.00 -0.44 0.54 0.68 0.41 0.00 0.00 173.24 174.43 1h7x s VAL 441 N -3.37 0.00 -0.27 3.43 -7.23 0.27 -4.75 120.40 108.48 1h7x s VAL 441 Ca 0.24 -1.38 -0.03 0.00 -1.81 0.00 0.00 61.98 59.01 1h7x s VAL 441 Cb 0.04 -2.42 0.02 0.00 0.56 0.00 0.00 36.38 34.59 1h7x s VAL 441 CO 0.06 0.00 -0.01 -0.22 -0.31 0.00 0.00 175.10 174.62 1h7x s LEU 442 N -3.08 3.46 0.00 1.32 2.96 -1.26 -1.21 118.68 120.87 1h7x s LEU 442 Ca 0.23 -0.87 0.00 0.00 -0.22 0.00 0.00 54.13 53.27 1h7x s LEU 442 Cb -0.02 -1.73 0.00 0.00 0.50 0.00 0.00 46.19 44.94 1h7x s LEU 442 CO 0.12 -0.16 0.00 -1.14 -1.32 0.00 0.00 176.35 173.85 1h7x n ARG 443 N 4.72 1.16 -1.42 1.98 0.63 -1.26 -5.03 116.66 117.43 1h7x n ARG 443 Ca -0.16 0.00 -0.57 0.00 -0.92 0.00 0.00 57.85 56.21 1h7x n ARG 443 Cb 0.47 -0.77 -0.09 0.00 0.45 0.00 0.00 32.46 32.51 1h7x n ARG 443 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1h7x n ASP 444 N -1.66 1.53 0.25 6.15 -0.08 -1.26 -4.81 116.55 116.68 1h7x n ASP 444 Ca 0.00 0.67 0.08 0.00 -1.51 0.00 0.00 54.79 54.03 1h7x n ASP 444 Cb 0.27 -1.07 0.63 0.00 2.34 0.00 0.00 41.12 43.29 1h7x n ASP 444 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1h7x h PRO 445 N 9.75 0.00 -0.13 -0.67 0.13 -1.99 -2.15 132.00 136.95 1h7x h PRO 445 Ca -0.24 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.78 1h7x h PRO 445 Cb 1.36 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 1h7x h PRO 445 CO 1.04 0.08 -0.42 0.87 -0.23 0.00 0.00 178.00 179.34 1h7x h LYS 446 N 0.00 0.29 -0.02 0.86 1.57 -1.97 -0.79 116.57 116.51 1h7x h LYS 446 Ca -0.00 -0.14 -0.22 0.00 -1.87 0.00 0.00 60.65 58.42 1h7x h LYS 446 Cb 0.14 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.47 1h7x h LYS 446 CO 0.01 0.66 -0.83 0.28 -0.57 0.00 0.00 179.45 179.00 1h7x h VAL 447 N 0.24 1.34 -0.62 0.50 2.07 -1.66 -0.27 116.25 117.84 1h7x h VAL 447 Ca 0.02 -2.14 -0.04 0.00 0.82 0.00 0.00 66.70 65.36 1h7x h VAL 447 Cb 0.84 2.42 -0.03 0.00 -1.52 0.00 0.00 31.29 33.00 1h7x h VAL 447 CO 0.07 0.65 0.22 0.11 0.02 0.00 0.00 177.57 178.64 1h7x h LYS 448 N 0.21 0.95 -0.09 1.57 1.57 -1.32 -2.38 116.57 117.08 1h7x h LYS 448 Ca -0.10 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.45 1h7x h LYS 448 Cb 1.50 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.66 1h7x h LYS 448 CO 0.16 0.83 -0.13 1.49 -0.57 0.00 0.00 179.45 181.23 1h7x h GLU 449 N 0.88 0.13 0.00 3.15 4.81 -1.18 -1.28 114.58 121.09 1h7x h GLU 449 Ca 0.20 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1h7x h GLU 449 Cb 0.25 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1h7x h GLU 449 CO -0.01 0.27 0.00 0.00 -0.73 0.00 0.00 179.01 178.54 1h7x h ALA 450 N 1.75 1.00 -0.48 2.92 0.00 -1.12 -2.01 119.26 121.33 1h7x h ALA 450 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1h7x h ALA 450 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1h7x h ALA 450 CO 0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1h7x n LEU 451 N -2.46 3.00 -4.77 0.00 4.77 -0.48 -1.73 117.00 115.33 1h7x n LEU 451 Ca 0.01 -1.42 -0.39 0.00 -0.03 0.00 0.00 56.01 54.17 1h7x n LEU 451 Cb 0.18 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1h7x n LEU 451 CO 0.19 0.71 1.00 -0.55 -1.33 0.00 0.00 177.39 177.40 1h7x s SER 452 N -1.20 6.02 -0.40 -1.43 0.15 -0.76 -1.78 113.70 114.29 1h7x s SER 452 Ca 0.38 2.75 0.05 0.00 0.70 0.00 0.00 55.95 59.83 1h7x s SER 452 Cb 0.21 -2.64 0.56 0.00 -1.71 0.00 0.00 66.02 62.43 1h7x s SER 452 CO 0.28 -1.06 1.69 -0.81 1.20 0.00 0.00 173.24 174.54 1h7x n PRO 453 N -0.16 2.21 -1.86 5.44 -0.04 -1.26 -4.63 135.00 134.70 1h7x n PRO 453 Ca 0.05 -3.20 -0.38 0.00 -0.04 0.00 0.00 63.50 59.93 1h7x n PRO 453 Cb 0.43 -2.05 0.03 0.00 -0.04 0.00 0.00 33.50 31.88 1h7x n PRO 453 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1h7x s ILE 454 N -3.56 2.24 0.29 0.52 -4.36 -0.74 -4.96 121.20 110.64 1h7x s ILE 454 Ca 0.52 0.18 -0.29 0.00 -0.26 0.00 0.00 60.65 60.80 1h7x s ILE 454 Cb 0.45 -3.09 -0.10 0.00 1.25 0.00 0.00 42.46 40.97 1h7x s ILE 454 CO 0.04 -0.01 1.11 -0.54 0.24 0.00 0.00 174.94 175.78 1h7x s LYS 455 N -2.92 4.59 0.01 0.37 1.02 -1.26 -4.97 119.74 116.58 1h7x s LYS 455 Ca 0.71 1.80 0.05 0.00 0.02 0.00 0.00 55.97 58.55 1h7x s LYS 455 Cb -0.38 -3.13 -0.03 0.00 -0.52 0.00 0.00 37.83 33.76 1h7x s LYS 455 CO 0.45 0.16 -0.12 -0.06 -0.92 0.00 0.00 175.35 174.86 1h7x s PHE 456 N -1.20 2.73 0.46 3.18 0.40 -1.26 -1.40 117.98 120.89 1h7x s PHE 456 Ca 0.46 -0.15 -0.06 0.00 -0.60 0.00 0.00 56.93 56.58 1h7x s PHE 456 Cb -0.32 -1.55 0.10 0.00 0.51 0.00 0.00 43.02 41.76 1h7x s PHE 456 CO 0.41 0.30 0.62 0.27 0.70 0.00 0.00 175.22 177.51 1h7x n ASN 457 N 1.66 0.26 0.12 1.36 0.23 -0.21 -4.84 115.26 113.83 1h7x n ASN 457 Ca -0.16 -1.35 0.11 0.00 -0.53 0.00 0.00 54.58 52.64 1h7x n ASN 457 Cb 0.52 -0.46 0.47 0.00 -2.08 0.00 0.00 39.78 38.24 1h7x n ASN 457 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 1h7x n ARG 458 N -2.27 0.15 -0.04 -3.83 1.85 -1.26 -0.83 116.66 110.43 1h7x n ARG 458 Ca 0.08 0.46 0.12 0.00 -1.00 0.00 0.00 57.85 57.51 1h7x n ARG 458 Cb 0.30 -1.83 0.46 0.00 -1.05 0.00 0.00 32.46 30.33 1h7x n ARG 458 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 1h7x n TRP 459 N -2.13 0.10 -2.95 2.89 5.03 -1.26 -4.92 117.44 114.20 1h7x n TRP 459 Ca 0.01 -0.05 -0.16 0.00 3.03 0.00 0.00 57.50 60.34 1h7x n TRP 459 Cb 0.17 0.00 0.04 0.00 -1.03 0.00 0.00 31.31 30.48 1h7x n TRP 459 CO 0.00 0.00 0.00 -3.47 -0.03 0.00 0.00 177.69 174.19 1h7x n ASP 460 N 0.24 -4.82 -4.34 -0.99 2.03 -0.01 -5.03 116.55 103.62 1h7x n ASP 460 Ca 0.18 -0.26 -0.23 0.00 0.52 0.00 0.00 54.79 55.00 1h7x n ASP 460 Cb 0.34 -3.59 -0.11 0.00 -0.72 0.00 0.00 41.12 37.04 1h7x n ASP 460 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1h7x s LEU 461 N -4.96 2.42 0.16 -2.67 1.43 -1.26 -4.89 118.68 108.91 1h7x s LEU 461 Ca 0.28 -0.84 -0.33 0.00 -1.03 0.00 0.00 54.13 52.21 1h7x s LEU 461 Cb -0.12 -0.89 -0.13 0.00 0.03 0.00 0.00 46.19 45.08 1h7x s LEU 461 CO 0.34 0.00 1.66 -2.65 0.23 0.00 0.00 176.35 175.94 1h7x n PRO 462 N 0.41 2.40 -3.10 1.29 -0.02 -1.26 -1.05 135.00 133.68 1h7x n PRO 462 Ca -0.14 0.87 -0.39 0.00 -2.02 0.00 0.00 63.50 61.81 1h7x n PRO 462 Cb 0.56 -2.68 -0.05 0.00 -0.02 0.00 0.00 33.50 31.31 1h7x n PRO 462 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1h7x s GLU 463 N 1.33 4.40 0.06 -0.52 2.12 -0.49 -4.76 118.70 120.85 1h7x s GLU 463 Ca 0.79 0.89 0.00 0.00 0.36 0.00 0.00 54.97 57.01 1h7x s GLU 463 Cb -0.61 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.38 1h7x s GLU 463 CO 0.37 0.31 -0.05 0.14 -0.54 0.00 0.00 175.26 175.49 1h7x s VAL 464 N -0.05 0.39 -0.06 3.70 -7.23 -1.26 -4.09 120.40 111.79 1h7x s VAL 464 Ca 0.35 -1.69 -0.30 0.00 -1.81 0.00 0.00 61.98 58.53 1h7x s VAL 464 Cb -0.19 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.35 1h7x s VAL 464 CO 0.20 -0.85 1.25 -0.62 -0.31 0.00 0.00 175.10 174.76 1h7x s ASP 465 N -2.69 6.99 0.50 4.85 -1.08 -0.37 -4.90 116.67 119.96 1h7x s ASP 465 Ca 0.05 1.85 0.32 0.00 -0.52 0.00 0.00 52.55 54.25 1h7x s ASP 465 Cb 0.04 -2.55 1.76 0.00 -1.46 0.00 0.00 42.92 40.70 1h7x s ASP 465 CO -0.06 -0.64 1.99 1.55 0.52 0.00 0.00 175.17 178.52 1h7x h PRO 466 N 7.67 0.00 0.08 4.34 0.13 -1.97 0.35 132.00 142.59 1h7x h PRO 466 Ca -0.34 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.42 1h7x h PRO 466 Cb 1.15 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 1h7x h PRO 466 CO 0.90 0.00 -2.19 -1.91 -0.23 0.00 0.00 178.00 174.57 1h7x n GLU 467 N -2.65 0.72 -0.01 0.86 4.07 -1.26 -4.58 120.64 117.79 1h7x n GLU 467 Ca -0.02 0.22 0.10 0.00 -0.06 0.00 0.00 57.16 57.40 1h7x n GLU 467 Cb 0.08 -1.63 -0.14 0.00 -0.06 0.00 0.00 31.44 29.68 1h7x n GLU 467 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1h7x n THR 468 N -3.39 0.00 -1.26 6.31 -2.24 -1.11 -4.88 114.28 107.71 1h7x n THR 468 Ca -0.37 -0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.03 1h7x n THR 468 Cb 1.03 0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 69.66 1h7x n THR 468 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1h7x n MET 469 N -1.91 -1.08 -3.10 -0.78 2.81 0.12 -4.49 117.12 108.69 1h7x n MET 469 Ca -0.00 0.76 -0.39 0.00 -1.81 0.00 0.00 57.70 56.25 1h7x n MET 469 Cb 0.45 -4.81 -0.06 0.00 -0.71 0.00 0.00 33.22 28.09 1h7x n MET 469 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1h7x s GLN 470 N -2.53 4.41 0.26 0.03 0.74 -1.25 -1.42 119.66 119.89 1h7x s GLN 470 Ca 0.00 0.96 -0.02 0.00 0.05 0.00 0.00 55.36 56.34 1h7x s GLN 470 Cb 0.00 -3.28 0.06 0.00 1.10 0.00 0.00 33.01 30.89 1h7x s GLN 470 CO 0.00 0.52 0.36 0.25 -0.55 0.00 0.00 175.29 175.87 1h7x n THR 471 N 1.97 0.00 0.31 -0.34 -2.24 -0.14 -1.24 114.28 112.60 1h7x n THR 471 Ca -0.07 -0.40 0.20 0.00 -2.27 0.00 0.00 64.05 61.52 1h7x n THR 471 Cb 0.50 -1.53 0.96 0.00 -2.10 0.00 0.00 70.33 68.17 1h7x n THR 471 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1h7x h SER 472 N -0.35 0.00 -3.75 3.42 4.64 -1.85 -3.38 113.55 112.28 1h7x h SER 472 Ca -0.12 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.54 1h7x h SER 472 Cb 0.37 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.28 1h7x h SER 472 CO 0.10 0.00 -0.44 -1.61 -0.87 0.00 0.00 176.83 174.02 1h7x s GLU 473 N -3.91 3.64 0.35 4.77 0.41 -1.26 -4.98 118.70 117.71 1h7x s GLU 473 Ca -0.02 -0.49 0.16 0.00 -0.41 0.00 0.00 54.97 54.21 1h7x s GLU 473 Cb 0.11 -3.77 1.15 0.00 -1.78 0.00 0.00 34.13 29.84 1h7x s GLU 473 CO 0.46 -0.39 1.65 -1.35 -0.49 0.00 0.00 175.26 175.13 1h7x h PRO 474 N 8.44 0.25 -0.01 0.39 0.11 -1.98 -0.38 132.00 138.81 1h7x h PRO 474 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1h7x h PRO 474 Cb 1.16 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1h7x h PRO 474 CO 0.63 0.16 -0.05 -2.67 -0.21 0.00 0.00 178.00 175.86 1h7x n TRP 475 N -5.09 0.00 -4.81 0.65 4.27 -1.26 -4.82 117.44 106.37 1h7x n TRP 475 Ca 0.33 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.61 1h7x n TRP 475 Cb 1.06 -0.05 -0.15 0.00 -1.36 0.00 0.00 31.31 30.81 1h7x n TRP 475 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 1h7x s VAL 476 N -2.14 2.78 0.33 -1.67 1.01 -0.15 -1.07 120.40 119.48 1h7x s VAL 476 Ca 0.37 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.67 1h7x s VAL 476 Cb 0.21 -2.15 -0.06 0.00 0.00 0.00 0.00 36.38 34.37 1h7x s VAL 476 CO 0.39 0.53 -0.05 -0.36 0.00 0.00 0.00 175.10 175.60 1h7x s PHE 477 N 0.45 2.20 0.06 5.22 0.40 0.44 -0.97 117.98 125.78 1h7x s PHE 477 Ca -0.11 -0.64 -0.16 0.00 -0.60 0.00 0.00 56.93 55.42 1h7x s PHE 477 Cb -0.16 -1.32 0.03 0.00 0.51 0.00 0.00 43.02 42.07 1h7x s PHE 477 CO 0.05 0.40 0.36 0.00 0.70 0.00 0.00 175.22 176.72 1h7x s ALA 478 N -2.84 -0.83 0.04 5.36 0.00 -0.51 -0.04 121.76 122.94 1h7x s ALA 478 Ca 0.32 0.09 -0.28 0.00 0.00 0.00 0.00 51.96 52.09 1h7x s ALA 478 Cb 0.05 0.40 0.09 0.00 0.00 0.00 0.00 23.12 23.65 1h7x s ALA 478 CO 0.15 -0.47 0.98 0.20 0.00 0.00 0.00 175.76 176.61 1h7x s GLY 479 N -2.19 -0.36 0.00 0.00 0.00 -0.95 -4.79 107.32 99.02 1h7x s GLY 479 Ca -0.03 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.38 1h7x s GLY 479 CO -0.05 0.20 0.00 0.61 0.00 0.00 0.00 173.10 173.87 1h7x n GLY 480 N -0.34 -1.68 0.39 0.20 0.00 -1.26 -4.33 105.19 98.17 1h7x n GLY 480 Ca -0.07 -1.69 0.18 0.00 0.00 0.00 0.00 46.02 44.44 1h7x n GLY 480 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1h7x h ASP 481 N 0.12 0.49 -0.01 1.61 5.19 -1.91 -1.57 116.42 120.34 1h7x h ASP 481 Ca 0.00 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1h7x h ASP 481 Cb 0.00 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 39.47 1h7x h ASP 481 CO 0.00 0.19 0.01 -0.29 -3.12 0.00 0.00 179.24 176.03 1h7x h ILE 482 N 0.49 0.78 0.00 0.35 6.09 -1.75 -0.88 117.51 122.59 1h7x h ILE 482 Ca 0.49 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.94 1h7x h ILE 482 Cb 1.11 0.99 -0.01 0.00 0.47 0.00 0.00 36.82 39.38 1h7x h ILE 482 CO -0.22 0.00 -0.23 0.58 -3.07 0.00 0.00 178.15 175.21 1h7x h VAL 483 N 0.00 0.35 0.00 2.19 2.07 -1.52 -3.37 116.25 115.98 1h7x h VAL 483 Ca 0.01 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.02 1h7x h VAL 483 Cb 0.03 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1h7x h VAL 483 CO -0.00 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.40 1h7x n GLY 484 N 1.15 0.53 0.24 2.17 0.00 -0.34 -4.90 105.19 104.05 1h7x n GLY 484 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 1h7x n GLY 484 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1h7x n MET 485 N -2.93 0.50 -1.73 1.61 1.56 -1.26 -4.99 117.12 109.89 1h7x n MET 485 Ca 0.00 0.19 -0.42 0.00 -0.27 0.00 0.00 57.70 57.20 1h7x n MET 485 Cb 0.00 -1.35 -0.01 0.00 2.15 0.00 0.00 33.22 34.01 1h7x n MET 485 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1h7x n ALA 486 N -3.81 1.71 0.00 -5.12 0.00 -1.26 -4.90 120.51 107.12 1h7x n ALA 486 Ca -0.44 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1h7x n ALA 486 Cb 0.85 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.98 1h7x n ALA 486 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1h7x n ASN 487 N 0.75 0.19 -3.96 0.00 4.13 -1.26 -4.75 115.26 110.36 1h7x n ASN 487 Ca 0.04 -0.48 -0.14 0.00 1.68 0.00 0.00 54.58 55.69 1h7x n ASN 487 Cb 0.37 0.99 -0.09 0.00 -1.54 0.00 0.00 39.78 39.50 1h7x n ASN 487 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1h7x s THR 488 N -1.02 0.00 0.13 3.41 -4.23 -1.26 -5.04 115.64 107.63 1h7x s THR 488 Ca 0.00 -1.96 -0.15 0.00 -1.18 0.00 0.00 61.69 58.40 1h7x s THR 488 Cb 0.00 -2.49 -0.00 0.00 1.34 0.00 0.00 72.50 71.35 1h7x s THR 488 CO 0.00 0.00 1.65 0.74 -0.54 0.00 0.00 174.62 176.47 1h7x h THR 489 N 2.47 1.22 -0.58 3.99 2.02 -1.97 -1.90 112.91 118.16 1h7x h THR 489 Ca -0.33 -0.73 -0.05 0.00 0.77 0.00 0.00 66.41 66.07 1h7x h THR 489 Cb 1.25 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 1h7x h THR 489 CO 0.48 0.26 0.17 1.62 0.37 0.00 0.00 175.52 178.42 1h7x h VAL 490 N 0.53 1.22 -0.08 3.16 3.04 -1.97 0.10 116.25 122.26 1h7x h VAL 490 Ca 0.13 -0.78 -0.13 0.00 -1.01 0.00 0.00 66.70 64.91 1h7x h VAL 490 Cb 0.27 0.60 -0.01 0.00 -2.01 0.00 0.00 31.29 30.14 1h7x h VAL 490 CO -0.00 0.30 -0.54 -0.33 -1.01 0.00 0.00 177.57 175.98 1h7x h GLU 491 N 0.84 0.24 -0.38 4.17 5.08 -1.90 0.02 114.58 122.67 1h7x h GLU 491 Ca 0.19 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 1h7x h GLU 491 Cb 0.25 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1h7x h GLU 491 CO -0.01 0.72 -0.27 0.77 -1.00 0.00 0.00 179.01 179.22 1h7x h SER 492 N 0.19 0.89 -0.60 1.42 0.02 -0.66 -0.63 113.55 114.18 1h7x h SER 492 Ca 0.00 -0.44 -0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1h7x h SER 492 Cb 1.02 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 1h7x h SER 492 CO 0.08 1.14 0.36 0.58 -1.14 0.00 0.00 176.83 177.85 1h7x h VAL 493 N 0.65 1.18 -0.42 2.27 2.07 -0.59 -2.33 116.25 119.09 1h7x h VAL 493 Ca 0.07 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 1h7x h VAL 493 Cb 0.85 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1h7x h VAL 493 CO 0.07 0.18 0.03 -1.13 0.02 0.00 0.00 177.57 176.75 1h7x h ASN 494 N 0.81 0.61 -0.74 0.57 -1.24 -0.73 -1.29 115.58 113.57 1h7x h ASN 494 Ca 0.21 -0.12 -0.00 0.00 0.71 0.00 0.00 56.30 57.10 1h7x h ASN 494 Cb -0.01 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 38.84 1h7x h ASN 494 CO -0.04 0.66 0.45 0.44 -1.29 0.00 0.00 177.43 177.64 1h7x h ASP 495 N 0.62 0.89 -0.29 1.15 3.32 -0.59 0.19 116.42 121.70 1h7x h ASP 495 Ca 0.13 -0.06 -0.14 0.00 0.02 0.00 0.00 57.03 56.98 1h7x h ASP 495 Cb 0.34 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1h7x h ASP 495 CO 0.01 0.69 -0.33 1.23 -1.72 0.00 0.00 179.24 179.12 1h7x h GLY 496 N 1.01 0.89 0.91 2.75 0.00 -1.05 -1.06 103.07 106.52 1h7x h GLY 496 Ca 0.26 -0.85 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 1h7x h GLY 496 CO -0.05 0.77 0.03 1.70 0.00 0.00 0.00 176.54 179.00 1h7x h LYS 497 N 0.69 0.09 -0.35 4.80 3.64 -0.79 -0.64 116.57 124.01 1h7x h LYS 497 Ca 0.07 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1h7x h LYS 497 Cb 0.88 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 1h7x h LYS 497 CO 0.08 0.16 0.22 0.37 -2.27 0.00 0.00 179.45 178.01 1h7x h GLN 498 N 0.00 0.44 -0.58 1.90 5.75 -0.57 -2.80 115.11 119.25 1h7x h GLN 498 Ca 0.02 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 1h7x h GLN 498 Cb 0.09 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 1h7x h GLN 498 CO -0.00 0.29 0.22 0.00 -2.65 0.00 0.00 178.83 176.68 1h7x h ALA 499 N 1.14 1.28 -0.93 3.38 0.00 -1.02 -3.05 119.26 120.07 1h7x h ALA 499 Ca 0.13 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1h7x h ALA 499 Cb -0.03 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.45 1h7x h ALA 499 CO -0.04 0.52 0.57 0.66 0.00 0.00 0.00 179.25 180.97 1h7x h SER 500 N 0.84 0.87 -0.40 0.00 4.64 -0.83 0.54 113.55 119.20 1h7x h SER 500 Ca 0.20 0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.50 1h7x h SER 500 Cb 0.19 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1h7x h SER 500 CO -0.02 0.51 0.07 -0.25 -0.87 0.00 0.00 176.83 176.28 1h7x h TRP 501 N 0.98 0.71 0.00 4.77 2.91 -1.56 -1.34 115.95 122.41 1h7x h TRP 501 Ca 0.43 -0.10 -0.08 0.00 1.13 0.00 0.00 58.89 60.28 1h7x h TRP 501 Cb 0.32 -0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 28.76 1h7x h TRP 501 CO -0.02 0.69 -0.38 1.88 -1.03 0.00 0.00 178.44 179.58 1h7x h TYR 502 N 0.52 0.00 -0.35 2.65 0.05 -1.51 -0.55 116.97 117.79 1h7x h TYR 502 Ca 0.12 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.79 1h7x h TYR 502 Cb 0.36 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 1h7x h TYR 502 CO 0.02 0.38 -0.22 0.82 -1.05 0.00 0.00 178.16 178.11 1h7x h ILE 503 N 0.00 1.29 -0.07 -2.88 2.04 -0.78 -0.23 117.51 116.87 1h7x h ILE 503 Ca -0.00 -1.36 0.01 0.00 1.00 0.00 0.00 64.86 64.51 1h7x h ILE 503 Cb 1.08 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1h7x h ILE 503 CO 0.05 0.44 0.01 -0.74 0.00 0.00 0.00 178.15 177.91 1h7x h HIS 504 N 0.54 0.02 -0.55 1.37 2.76 -0.96 0.19 115.15 118.51 1h7x h HIS 504 Ca 0.07 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.28 1h7x h HIS 504 Cb 0.77 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.69 1h7x h HIS 504 CO 0.06 0.01 0.31 -0.22 -1.30 0.00 0.00 177.93 176.79 1h7x h LYS 505 N 0.04 0.58 0.05 5.26 3.64 -0.97 -1.20 116.57 123.98 1h7x h LYS 505 Ca 0.03 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1h7x h LYS 505 Cb 0.03 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1h7x h LYS 505 CO -0.04 0.39 -0.02 -0.92 -2.27 0.00 0.00 179.45 176.58 1h7x h TYR 506 N 0.60 -0.06 -0.27 1.91 3.20 -0.61 -1.88 116.97 119.85 1h7x h TYR 506 Ca 0.23 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.11 1h7x h TYR 506 Cb 0.09 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1h7x h TYR 506 CO -0.08 0.08 0.17 0.82 -1.64 0.00 0.00 178.16 177.52 1h7x h ILE 507 N -0.19 1.06 -0.57 1.81 2.04 -0.81 -1.35 117.51 119.50 1h7x h ILE 507 Ca -0.01 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 65.79 1h7x h ILE 507 Cb 0.17 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 1h7x h ILE 507 CO 0.01 0.06 0.28 1.56 0.00 0.00 0.00 178.15 180.07 1h7x h GLN 508 N 0.35 0.52 -0.92 2.37 1.08 -1.18 -1.38 115.11 115.96 1h7x h GLN 508 Ca 0.10 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1h7x h GLN 508 Cb -0.03 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.24 1h7x h GLN 508 CO -0.03 0.34 0.57 0.00 -0.95 0.00 0.00 178.83 178.76 1h7x h ALA 509 N 1.32 1.27 0.00 3.87 0.00 -0.97 0.13 119.26 124.89 1h7x h ALA 509 Ca 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1h7x h ALA 509 Cb 0.19 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1h7x h ALA 509 CO -0.19 0.64 -0.02 1.96 0.00 0.00 0.00 179.25 181.63 1h7x h GLN 510 N 1.26 0.00 -0.64 0.00 1.08 -0.16 0.21 115.11 116.87 1h7x h GLN 510 Ca 0.33 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.53 1h7x h GLN 510 Cb -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 1h7x h GLN 510 CO -0.07 0.02 0.00 0.66 -0.95 0.00 0.00 178.83 178.50 1h7x n TYR 511 N -4.39 1.60 -1.88 2.96 4.02 -0.36 -4.93 117.16 114.19 1h7x n TYR 511 Ca -0.03 -0.59 -0.10 0.00 -0.01 0.00 0.00 57.90 57.17 1h7x n TYR 511 Cb 0.11 -0.34 -0.02 0.00 -0.02 0.00 0.00 39.34 39.07 1h7x n TYR 511 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1h7x n GLY 512 N 0.84 0.36 3.35 2.72 0.00 0.06 -5.01 105.19 107.53 1h7x n GLY 512 Ca 0.24 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1h7x n GLY 512 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h7x s ALA 513 N -2.45 2.28 0.31 4.61 0.00 0.31 -4.98 121.76 121.84 1h7x s ALA 513 Ca 0.00 -1.32 0.06 0.00 0.00 0.00 0.00 51.96 50.71 1h7x s ALA 513 Cb 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 1h7x s ALA 513 CO 0.00 0.54 0.43 -1.54 0.00 0.00 0.00 175.76 175.18 1h7x s SER 514 N -1.43 6.04 0.22 0.00 1.04 -1.26 -2.46 113.70 115.85 1h7x s SER 514 Ca 0.12 -0.13 0.07 0.00 0.48 0.00 0.00 55.95 56.50 1h7x s SER 514 Cb -0.10 -1.40 -0.05 0.00 0.10 0.00 0.00 66.02 64.58 1h7x s SER 514 CO 0.03 -0.32 -0.13 0.68 0.98 0.00 0.00 173.24 174.48 1h7x s VAL 515 N -2.13 1.69 0.45 5.02 -7.23 -1.26 -4.99 120.40 111.95 1h7x s VAL 515 Ca 0.42 -2.19 -0.24 0.00 -1.81 0.00 0.00 61.98 58.15 1h7x s VAL 515 Cb -0.09 -2.12 -0.09 0.00 0.56 0.00 0.00 36.38 34.64 1h7x s VAL 515 CO 0.30 -0.54 1.22 -1.54 -0.31 0.00 0.00 175.10 174.23 1h7x n SER 516 N -0.41 2.26 0.20 4.85 3.41 -1.26 -4.86 113.62 117.80 1h7x n SER 516 Ca -0.07 1.06 0.04 0.00 -0.26 0.00 0.00 58.87 59.64 1h7x n SER 516 Cb 0.61 -1.48 0.42 0.00 -0.26 0.00 0.00 64.21 63.50 1h7x n SER 516 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h7x h ALA 517 N 1.83 1.39 -2.83 7.33 0.00 -2.07 -3.40 119.26 121.51 1h7x h ALA 517 Ca -0.48 -0.29 -0.62 0.00 0.00 0.00 0.00 54.91 53.53 1h7x h ALA 517 Cb 1.31 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.91 1h7x h ALA 517 CO 0.59 0.40 -0.28 0.21 0.00 0.00 0.00 179.25 180.16 1h7x s LYS 518 N -4.22 4.07 0.15 0.00 2.20 -1.26 -5.04 119.74 115.65 1h7x s LYS 518 Ca -0.03 0.03 -0.34 0.00 -0.36 0.00 0.00 55.97 55.27 1h7x s LYS 518 Cb 0.14 -3.60 -0.15 0.00 -1.51 0.00 0.00 37.83 32.71 1h7x s LYS 518 CO 0.70 -0.14 1.35 -2.30 -0.36 0.00 0.00 175.35 174.60 1h7x n PRO 519 N 4.87 1.51 -3.14 4.03 -0.02 -1.26 -4.96 135.00 136.03 1h7x n PRO 519 Ca -0.10 0.54 -0.22 0.00 -2.02 0.00 0.00 63.50 61.71 1h7x n PRO 519 Cb 0.51 -2.17 -0.04 0.00 -0.02 0.00 0.00 33.50 31.78 1h7x n PRO 519 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1h7x n GLU 520 N 2.38 1.65 -2.30 -0.52 1.02 -1.26 -5.09 120.64 116.52 1h7x n GLU 520 Ca 0.16 -3.85 -0.41 0.00 -0.02 0.00 0.00 57.16 53.04 1h7x n GLU 520 Cb 0.25 -1.82 -0.03 0.00 -0.02 0.00 0.00 31.44 29.82 1h7x n GLU 520 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1h7x s LEU 521 N -2.52 4.43 0.73 -4.62 1.43 -1.26 -4.99 118.68 111.88 1h7x s LEU 521 Ca 0.42 2.31 -0.13 0.00 -1.03 0.00 0.00 54.13 55.69 1h7x s LEU 521 Cb 0.29 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.94 1h7x s LEU 521 CO -0.09 -0.45 1.11 -2.84 0.23 0.00 0.00 176.35 174.31 1h7x s PRO 522 N -0.15 2.38 0.78 1.29 0.02 -1.26 -5.06 135.00 133.00 1h7x s PRO 522 Ca 0.55 1.35 -0.13 0.00 0.02 0.00 0.00 61.00 62.79 1h7x s PRO 522 Cb -0.34 -1.90 0.18 0.00 0.02 0.00 0.00 34.50 32.46 1h7x s PRO 522 CO 0.37 -1.57 1.07 1.28 -0.33 0.00 0.00 177.00 177.82 1h7x n LEU 523 N -3.03 0.00 -4.79 -5.54 4.77 -1.26 -4.96 117.00 102.19 1h7x n LEU 523 Ca 0.10 -1.23 -0.37 0.00 -0.03 0.00 0.00 56.01 54.48 1h7x n LEU 523 Cb 0.52 -0.81 -0.06 0.00 -2.33 0.00 0.00 43.42 40.74 1h7x n LEU 523 CO 0.50 -1.25 0.02 0.12 -1.33 0.00 0.00 177.39 175.46 1h7x s PHE 524 N -3.31 3.58 0.11 -1.77 5.36 -1.26 -4.96 117.98 115.72 1h7x s PHE 524 Ca 0.61 0.76 0.05 0.00 -0.96 0.00 0.00 56.93 57.39 1h7x s PHE 524 Cb -0.02 -2.29 -0.04 0.00 -0.34 0.00 0.00 43.02 40.34 1h7x s PHE 524 CO 0.43 0.44 -0.13 0.71 -1.46 0.00 0.00 175.22 175.21 1h7x s TYR 525 N -0.26 1.27 0.25 10.12 1.51 -1.26 -4.86 117.35 124.12 1h7x s TYR 525 Ca 0.20 -0.58 -0.01 0.00 -1.01 0.00 0.00 57.07 55.68 1h7x s TYR 525 Cb -0.14 -0.68 -0.03 0.00 -0.11 0.00 0.00 41.96 41.00 1h7x s TYR 525 CO 0.08 0.09 0.24 0.95 -1.11 0.00 0.00 175.55 175.80 1h7x s THR 526 N -2.14 0.00 0.60 -0.71 -4.23 -1.26 -1.08 115.64 106.82 1h7x s THR 526 Ca 0.07 -1.89 0.35 0.00 -1.18 0.00 0.00 61.69 59.04 1h7x s THR 526 Cb -0.05 -2.48 0.39 0.00 1.34 0.00 0.00 72.50 71.70 1h7x s THR 526 CO 0.02 0.00 2.29 -0.65 -0.54 0.00 0.00 174.62 175.73 1h7x h PRO 527 N 2.41 0.00 -0.79 3.99 0.11 -1.94 -2.15 132.00 133.63 1h7x h PRO 527 Ca -0.31 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.84 1h7x h PRO 527 Cb 1.24 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.31 1h7x h PRO 527 CO 0.45 0.01 0.52 0.28 -0.21 0.00 0.00 178.00 179.05 1h7x h VAL 528 N 0.00 1.11 0.00 3.15 2.07 -1.94 -1.58 116.25 119.06 1h7x h VAL 528 Ca -0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1h7x h VAL 528 Cb 0.03 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1h7x h VAL 528 CO 0.00 0.17 0.00 0.44 0.02 0.00 0.00 177.57 178.20 1h7x h ASP 529 N 0.95 0.00 0.45 0.57 3.32 -1.77 -1.80 116.42 118.13 1h7x h ASP 529 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1h7x h ASP 529 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1h7x h ASP 529 CO -0.10 0.00 -0.39 0.18 -1.72 0.00 0.00 179.24 177.22 1h7x n LEU 530 N -2.38 0.62 -4.72 1.55 4.77 -0.59 -4.91 117.00 111.33 1h7x n LEU 530 Ca -0.00 -0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.51 1h7x n LEU 530 Cb 0.13 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1h7x n LEU 530 CO 0.15 0.13 1.27 -0.69 -1.33 0.00 0.00 177.39 176.93 1h7x s VAL 531 N -2.83 2.38 -0.24 4.08 1.01 -0.68 -4.96 120.40 119.16 1h7x s VAL 531 Ca 0.16 0.28 -0.25 0.00 0.00 0.00 0.00 61.98 62.17 1h7x s VAL 531 Cb 0.18 -3.18 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 1h7x s VAL 531 CO 0.63 0.02 0.86 -0.62 0.00 0.00 0.00 175.10 175.99 1h7x s ASP 532 N 1.08 6.87 -0.21 3.32 -1.08 -1.26 -4.93 116.67 120.45 1h7x s ASP 532 Ca 0.71 1.08 0.13 0.00 -0.52 0.00 0.00 52.55 53.95 1h7x s ASP 532 Cb -0.46 -2.45 0.44 0.00 -1.46 0.00 0.00 42.92 38.99 1h7x s ASP 532 CO 0.33 -0.54 1.32 2.30 0.52 0.00 0.00 175.17 179.10 1h7x n ILE 533 N 5.26 2.26 -1.79 4.11 -5.35 -1.26 -4.58 119.36 118.02 1h7x n ILE 533 Ca 0.06 -2.61 -0.31 0.00 -0.27 0.00 0.00 62.75 59.62 1h7x n ILE 533 Cb 0.47 -0.27 0.02 0.00 -1.74 0.00 0.00 39.64 38.13 1h7x n ILE 533 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1h7x s SER 534 N -2.69 5.95 -0.07 7.28 1.04 -1.23 -3.82 113.70 120.16 1h7x s SER 534 Ca 0.40 1.45 -0.20 0.00 0.48 0.00 0.00 55.95 58.07 1h7x s SER 534 Cb 0.36 -2.44 0.04 0.00 0.10 0.00 0.00 66.02 64.08 1h7x s SER 534 CO 0.00 -1.06 0.46 0.54 0.98 0.00 0.00 173.24 174.17 1h7x s VAL 535 N -3.16 0.03 -0.09 5.02 0.11 -0.65 -4.40 120.40 117.26 1h7x s VAL 535 Ca 0.56 -0.22 0.01 0.00 -2.93 0.00 0.00 61.98 59.40 1h7x s VAL 535 Cb -0.12 -0.74 -0.02 0.00 -1.53 0.00 0.00 36.38 33.96 1h7x s VAL 535 CO 0.54 -0.12 -0.11 -0.70 -3.33 0.00 0.00 175.10 171.38 1h7x s GLU 536 N -0.90 2.92 -0.11 1.54 2.12 -1.26 -0.74 118.70 122.27 1h7x s GLU 536 Ca -0.10 -0.63 -0.06 0.00 0.36 0.00 0.00 54.97 54.54 1h7x s GLU 536 Cb -0.03 -2.56 0.05 0.00 0.26 0.00 0.00 34.13 31.84 1h7x s GLU 536 CO 0.05 0.49 0.27 1.41 -0.54 0.00 0.00 175.26 176.95 1h7x s MET 537 N -0.37 0.24 -1.53 4.30 1.75 -0.08 -4.89 119.30 118.72 1h7x s MET 537 Ca 0.04 0.56 -0.14 0.00 -1.25 0.00 0.00 55.69 54.90 1h7x s MET 537 Cb -0.12 -0.09 0.10 0.00 2.84 0.00 0.00 34.83 37.56 1h7x s MET 537 CO 0.02 -0.15 0.80 0.00 -0.65 0.00 0.00 175.02 175.04 1h7x n ALA 538 N 4.13 -1.20 -0.98 4.11 0.00 -1.26 -0.32 120.51 124.98 1h7x n ALA 538 Ca -0.24 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1h7x n ALA 538 Cb 0.54 -3.77 0.00 0.00 0.00 0.00 0.00 19.45 16.21 1h7x n ALA 538 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h7x n GLY 539 N -1.47 0.86 3.78 0.00 0.00 -1.26 -4.89 105.19 102.21 1h7x n GLY 539 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1h7x n GLY 539 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h7x s LEU 540 N 0.00 3.92 -0.29 0.99 1.43 0.56 -5.09 118.68 120.20 1h7x s LEU 540 Ca 0.00 0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 53.22 1h7x s LEU 540 Cb 0.00 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 1h7x s LEU 540 CO 0.00 0.34 0.16 -0.54 0.23 0.00 0.00 176.35 176.54 1h7x s LYS 541 N -1.30 3.70 -0.18 1.70 1.02 -1.26 -0.90 119.74 122.51 1h7x s LYS 541 Ca 0.18 -0.48 -0.06 0.00 0.02 0.00 0.00 55.97 55.63 1h7x s LYS 541 Cb -0.12 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.57 1h7x s LYS 541 CO 0.08 -0.27 0.03 -0.06 -0.92 0.00 0.00 175.35 174.21 1h7x s PHE 542 N 1.69 3.15 0.35 3.18 0.40 0.08 -4.78 117.98 122.06 1h7x s PHE 542 Ca 0.06 -0.11 0.21 0.00 -0.60 0.00 0.00 56.93 56.49 1h7x s PHE 542 Cb -0.16 -2.05 1.06 0.00 0.51 0.00 0.00 43.02 42.38 1h7x s PHE 542 CO 0.08 0.04 1.93 -0.84 0.70 0.00 0.00 175.22 177.13 1h7x h ILE 543 N 5.03 0.84 -2.95 0.64 3.07 -1.82 -1.74 117.51 120.58 1h7x h ILE 543 Ca -0.35 -0.93 -0.07 0.00 1.55 0.00 0.00 64.86 65.07 1h7x h ILE 543 Cb 1.18 1.55 -0.16 0.00 -0.27 0.00 0.00 36.82 39.12 1h7x h ILE 543 CO 0.67 0.23 -0.03 0.54 -1.05 0.00 0.00 178.15 178.50 1h7x s ASN 544 N -6.48 -0.35 0.00 2.16 2.20 -1.26 -3.49 114.94 107.72 1h7x s ASN 544 Ca -0.02 0.05 0.17 0.00 -0.94 0.00 0.00 52.86 52.12 1h7x s ASN 544 Cb 0.13 0.46 1.04 0.00 -2.00 0.00 0.00 41.25 40.88 1h7x s ASN 544 CO 0.65 -0.71 1.57 -0.81 -2.94 0.00 0.00 177.10 174.86 1h7x n PRO 545 N 0.38 0.86 -3.67 3.55 -0.04 -1.25 -4.43 135.00 130.39 1h7x n PRO 545 Ca -0.18 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.91 1h7x n PRO 545 Cb 0.60 -1.32 -0.07 0.00 -0.04 0.00 0.00 33.50 32.68 1h7x n PRO 545 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1h7x s PHE 546 N -2.00 3.53 0.13 0.54 0.08 -1.26 0.72 117.98 119.72 1h7x s PHE 546 Ca 0.26 0.58 -0.11 0.00 0.12 0.00 0.00 56.93 57.78 1h7x s PHE 546 Cb 0.12 -2.18 0.01 0.00 -0.57 0.00 0.00 43.02 40.40 1h7x s PHE 546 CO 0.20 0.46 0.30 0.20 -0.10 0.00 0.00 175.22 176.28 1h7x s GLY 547 N -0.24 0.13 -0.06 4.36 0.00 0.01 -0.89 107.32 110.62 1h7x s GLY 547 Ca 0.15 -0.56 -0.25 0.00 0.00 0.00 0.00 44.72 44.06 1h7x s GLY 547 CO 0.04 -0.66 0.79 1.08 0.00 0.00 0.00 173.10 174.34 1h7x s LEU 548 N -2.89 4.31 0.83 0.66 1.43 -0.74 -0.44 118.68 121.85 1h7x s LEU 548 Ca 0.09 1.31 -0.12 0.00 -1.03 0.00 0.00 54.13 54.38 1h7x s LEU 548 Cb 0.03 -3.22 0.09 0.00 0.03 0.00 0.00 46.19 43.12 1h7x s LEU 548 CO -0.07 -0.18 1.10 0.00 0.23 0.00 0.00 176.35 177.43 1h7x s ALA 549 N 1.00 2.03 -0.52 4.21 0.00 -0.61 -0.99 121.76 126.89 1h7x s ALA 549 Ca 0.41 -0.19 -0.28 0.00 0.00 0.00 0.00 51.96 51.91 1h7x s ALA 549 Cb -0.18 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 1h7x s ALA 549 CO 0.20 -1.93 1.65 0.45 0.00 0.00 0.00 175.76 176.13 1h7x s SER 550 N -3.79 5.80 0.00 0.00 0.15 -1.26 -4.56 113.70 110.04 1h7x s SER 550 Ca 0.62 0.55 0.00 0.00 0.70 0.00 0.00 55.95 57.82 1h7x s SER 550 Cb -0.15 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1h7x s SER 550 CO 0.55 -1.92 0.00 0.00 1.20 0.00 0.00 173.24 173.07 1h7x n ALA 551 N 10.76 0.00 -0.27 5.45 0.00 -1.26 -4.83 120.51 130.36 1h7x n ALA 551 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.68 1h7x n ALA 551 Cb 0.50 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.16 1h7x n ALA 551 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h7x h ALA 552 N 2.00 1.13 0.00 0.00 0.00 -1.97 0.21 119.26 120.63 1h7x h ALA 552 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1h7x h ALA 552 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1h7x h ALA 552 CO 0.00 -0.25 0.00 -2.30 0.00 0.00 0.00 179.25 176.70 1h7x n PRO 553 N -5.03 0.11 -0.89 0.00 -0.02 -1.26 -1.31 135.00 126.60 1h7x n PRO 553 Ca 0.16 0.56 -0.03 0.00 -2.02 0.00 0.00 63.50 62.17 1h7x n PRO 553 Cb 0.47 -1.82 0.18 0.00 -0.02 0.00 0.00 33.50 32.30 1h7x n PRO 553 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1h7x n THR 554 N -2.05 2.42 -0.24 3.45 -2.24 0.73 -4.60 114.28 111.77 1h7x n THR 554 Ca -0.00 -3.19 0.03 0.00 -2.27 0.00 0.00 64.05 58.62 1h7x n THR 554 Cb 0.06 -0.41 0.27 0.00 -2.10 0.00 0.00 70.33 68.15 1h7x n THR 554 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1h7x h THR 555 N 1.15 1.10 -3.97 4.28 2.02 -1.06 -3.18 112.91 113.25 1h7x h THR 555 Ca 0.15 -0.33 -0.37 0.00 0.77 0.00 0.00 66.41 66.63 1h7x h THR 555 Cb 1.32 0.07 -0.23 0.00 -1.74 0.00 0.00 68.15 67.57 1h7x h THR 555 CO 0.29 0.17 -0.77 -0.44 0.37 0.00 0.00 175.52 175.15 1h7x s SER 556 N -6.19 1.34 0.51 4.18 0.01 -1.26 -4.91 113.70 107.38 1h7x s SER 556 Ca -0.11 -0.51 0.25 0.00 1.31 0.00 0.00 55.95 56.89 1h7x s SER 556 Cb 0.19 -0.04 1.38 0.00 0.21 0.00 0.00 66.02 67.76 1h7x s SER 556 CO 0.79 -0.08 2.07 0.77 0.41 0.00 0.00 173.24 177.20 1h7x h SER 557 N 4.66 0.00 0.24 2.44 4.64 -1.97 -1.30 113.55 122.25 1h7x h SER 557 Ca -0.38 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.90 1h7x h SER 557 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1h7x h SER 557 CO 0.42 0.13 -0.20 0.77 -0.87 0.00 0.00 176.83 177.07 1h7x h SER 558 N 0.00 0.00 -0.18 4.97 4.64 -1.97 -1.13 113.55 119.88 1h7x h SER 558 Ca -0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 1h7x h SER 558 Cb 0.31 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1h7x h SER 558 CO 0.02 0.20 -0.73 0.24 -0.87 0.00 0.00 176.83 175.69 1h7x h MET 559 N 0.00 0.82 -0.73 4.77 2.07 -1.57 -2.61 114.93 117.69 1h7x h MET 559 Ca -0.00 -0.64 -0.05 0.00 -2.07 0.00 0.00 59.70 56.95 1h7x h MET 559 Cb 0.38 0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 30.20 1h7x h MET 559 CO 0.03 1.25 0.27 0.82 1.07 0.00 0.00 176.91 180.35 1h7x h ILE 560 N 0.58 1.25 -0.31 -1.22 2.04 -1.29 -0.88 117.51 117.68 1h7x h ILE 560 Ca -0.04 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.03 1h7x h ILE 560 Cb 1.36 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 1h7x h ILE 560 CO 0.15 0.32 0.17 -0.09 0.00 0.00 0.00 178.15 178.70 1h7x h ARG 561 N 1.06 0.33 -0.11 2.37 2.43 -1.13 -0.03 114.38 119.31 1h7x h ARG 561 Ca 0.24 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.32 1h7x h ARG 561 Cb 0.23 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1h7x h ARG 561 CO -0.02 0.22 -0.27 0.00 -1.51 0.00 0.00 179.97 178.39 1h7x h ARG 562 N 0.34 0.20 -0.39 0.20 3.08 -1.07 -0.58 114.38 116.16 1h7x h ARG 562 Ca 0.12 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 1h7x h ARG 562 Cb 0.02 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1h7x h ARG 562 CO -0.07 0.46 -0.04 0.00 -1.07 0.00 0.00 179.97 179.25 1h7x h ALA 563 N 1.55 0.53 -0.52 0.04 0.00 -0.50 -0.40 119.26 119.95 1h7x h ALA 563 Ca 0.03 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1h7x h ALA 563 Cb 0.58 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1h7x h ALA 563 CO 0.04 0.34 0.05 0.74 0.00 0.00 0.00 179.25 180.43 1h7x h PHE 564 N 0.53 0.89 -0.15 0.00 0.04 -0.67 -1.47 116.94 116.11 1h7x h PHE 564 Ca 0.11 -0.11 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 1h7x h PHE 564 Cb 0.53 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 1h7x h PHE 564 CO 0.04 0.79 -0.15 0.93 -0.60 0.00 0.00 178.31 179.33 1h7x h GLU 565 N 0.80 0.24 0.00 1.51 5.08 -0.77 -2.00 114.58 119.43 1h7x h GLU 565 Ca 0.16 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1h7x h GLU 565 Cb 0.40 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1h7x h GLU 565 CO 0.01 0.40 -0.24 0.00 -1.00 0.00 0.00 179.01 178.18 1h7x h ALA 566 N 1.63 0.93 0.00 3.43 0.00 -0.13 -3.47 119.26 121.64 1h7x h ALA 566 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1h7x h ALA 566 Cb 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1h7x h ALA 566 CO 0.02 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.98 1h7x n GLY 567 N 0.56 0.86 3.76 0.00 0.00 -0.65 -4.74 105.19 104.99 1h7x n GLY 567 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1h7x n GLY 567 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h7x s TRP 568 N -1.71 2.80 0.20 1.61 0.52 -0.82 -4.92 118.94 116.63 1h7x s TRP 568 Ca 0.00 0.96 -0.08 0.00 0.02 0.00 0.00 56.10 57.00 1h7x s TRP 568 Cb 0.00 -3.98 0.13 0.00 -1.15 0.00 0.00 33.47 28.47 1h7x s TRP 568 CO 0.00 -3.13 1.73 0.78 0.02 0.00 0.00 176.95 176.34 1h7x h GLY 569 N 4.40 1.23 -1.75 0.98 0.00 -1.23 -3.43 103.07 103.28 1h7x h GLY 569 Ca -0.48 -0.76 -0.07 0.00 0.00 0.00 0.00 47.33 46.02 1h7x h GLY 569 CO 0.75 0.71 0.04 -0.11 0.00 0.00 0.00 176.54 177.93 1h7x s PHE 570 N -5.33 0.34 -0.10 5.60 -0.71 -1.05 -2.35 117.98 114.38 1h7x s PHE 570 Ca -0.12 -0.79 -0.27 0.00 -1.04 0.00 0.00 56.93 54.72 1h7x s PHE 570 Cb 0.15 0.42 0.06 0.00 -1.21 0.00 0.00 43.02 42.44 1h7x s PHE 570 CO 0.85 -1.24 0.63 0.00 -1.34 0.00 0.00 175.22 174.12 1h7x s ALA 571 N -3.30 -1.61 -0.05 1.99 0.00 -0.54 -1.79 121.76 116.46 1h7x s ALA 571 Ca 0.20 1.36 -0.03 0.00 0.00 0.00 0.00 51.96 53.48 1h7x s ALA 571 Cb -0.03 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1h7x s ALA 571 CO 0.12 -0.34 0.14 -0.51 0.00 0.00 0.00 175.76 175.17 1h7x s LEU 572 N -0.77 4.23 0.65 0.00 2.01 -0.16 -1.67 118.68 122.98 1h7x s LEU 572 Ca -0.08 0.33 -0.11 0.00 0.01 0.00 0.00 54.13 54.28 1h7x s LEU 572 Cb -0.02 -2.33 -0.02 0.00 0.01 0.00 0.00 46.19 43.83 1h7x s LEU 572 CO 0.07 0.32 1.05 0.42 1.01 0.00 0.00 176.35 179.21 1h7x s THR 573 N -1.18 4.32 0.50 5.49 -4.23 -0.73 -4.48 115.64 115.34 1h7x s THR 573 Ca 0.22 0.75 -0.23 0.00 -1.18 0.00 0.00 61.69 61.26 1h7x s THR 573 Cb -0.12 -3.71 -0.06 0.00 1.34 0.00 0.00 72.50 69.94 1h7x s THR 573 CO 0.12 -0.99 1.26 -0.75 -0.54 0.00 0.00 174.62 173.73 1h7x s LYS 574 N -5.20 3.49 0.17 3.99 2.47 -1.20 -4.18 119.74 119.28 1h7x s LYS 574 Ca 0.56 2.01 -0.32 0.00 -1.56 0.00 0.00 55.97 56.66 1h7x s LYS 574 Cb -0.11 -2.36 -0.12 0.00 -1.46 0.00 0.00 37.83 33.77 1h7x s LYS 574 CO 0.54 -0.84 1.71 2.41 0.16 0.00 0.00 175.35 179.32 1h7x n THR 575 N -0.69 0.07 -4.50 3.43 -1.04 -1.26 -4.61 114.28 105.68 1h7x n THR 575 Ca 0.08 -0.01 -0.24 0.00 -2.04 0.00 0.00 64.05 61.84 1h7x n THR 575 Cb 0.46 -1.89 -0.11 0.00 -1.82 0.00 0.00 70.33 66.98 1h7x n THR 575 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1h7x s PHE 576 N 1.42 2.15 0.26 -1.42 -0.12 -0.56 0.51 117.98 120.22 1h7x s PHE 576 Ca 0.78 -0.78 0.01 0.00 -0.05 0.00 0.00 56.93 56.89 1h7x s PHE 576 Cb -0.55 -1.39 -0.00 0.00 -0.63 0.00 0.00 43.02 40.44 1h7x s PHE 576 CO 0.35 0.24 0.31 -1.13 -0.05 0.00 0.00 175.22 174.94 1h7x n SER 577 N -0.75 -0.84 -4.77 1.98 3.41 -1.26 -1.68 113.62 109.70 1h7x n SER 577 Ca -0.04 -2.52 -0.33 0.00 -0.26 0.00 0.00 58.87 55.72 1h7x n SER 577 Cb 0.66 1.67 0.05 0.00 -0.26 0.00 0.00 64.21 66.33 1h7x n SER 577 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1h7x s LEU 578 N 0.00 3.36 0.29 1.04 1.43 -1.26 -3.96 118.68 119.58 1h7x s LEU 578 Ca 0.25 2.00 0.04 0.00 -1.03 0.00 0.00 54.13 55.38 1h7x s LEU 578 Cb 0.00 -4.55 0.68 0.00 0.03 0.00 0.00 46.19 42.35 1h7x s LEU 578 CO 0.18 -1.68 1.76 0.44 0.23 0.00 0.00 176.35 177.28 1h7x h ASP 579 N -0.07 0.67 0.24 2.29 5.19 -2.00 -0.58 116.42 122.15 1h7x h ASP 579 Ca -0.47 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 1h7x h ASP 579 Cb 1.25 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.75 1h7x h ASP 579 CO 0.54 0.23 0.00 0.07 -3.12 0.00 0.00 179.24 176.96 1h7x h LYS 580 N 0.69 0.00 -0.53 3.56 2.10 -2.04 -1.84 116.57 118.50 1h7x h LYS 580 Ca 0.55 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.20 1h7x h LYS 580 Cb 0.85 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.18 1h7x h LYS 580 CO -0.39 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 176.81 1h7x n ASP 581 N -2.67 4.41 -4.60 7.07 8.00 -0.23 -5.02 116.55 123.51 1h7x n ASP 581 Ca -0.01 -2.51 -0.47 0.00 0.71 0.00 0.00 54.79 52.51 1h7x n ASP 581 Cb 0.11 -0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 40.65 1h7x n ASP 581 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h7x n ILE 582 N 0.72 1.20 -4.22 0.53 3.06 -0.70 -4.93 119.36 115.03 1h7x n ILE 582 Ca 0.23 -0.30 -0.24 0.00 -2.50 0.00 0.00 62.75 59.94 1h7x n ILE 582 Cb 0.84 -1.04 -0.08 0.00 0.54 0.00 0.00 39.64 39.91 1h7x n ILE 582 CO 0.00 0.00 0.00 0.68 -2.50 0.00 0.00 176.55 174.73 1h7x s VAL 583 N -0.40 2.63 -0.08 9.51 -7.23 -1.26 -5.13 120.40 118.43 1h7x s VAL 583 Ca 0.68 -1.82 -0.02 0.00 -1.81 0.00 0.00 61.98 59.02 1h7x s VAL 583 Cb -0.76 -2.91 0.03 0.00 0.56 0.00 0.00 36.38 33.30 1h7x s VAL 583 CO 0.54 -0.13 0.01 -0.89 -0.31 0.00 0.00 175.10 174.32 1h7x s THR 584 N -2.52 0.34 0.75 5.32 2.01 -1.26 -4.73 115.64 115.54 1h7x s THR 584 Ca 0.37 0.07 -0.11 0.00 0.31 0.00 0.00 61.69 62.34 1h7x s THR 584 Cb 0.01 -0.55 0.04 0.00 0.01 0.00 0.00 72.50 72.01 1h7x s THR 584 CO 0.21 0.19 1.08 0.20 -0.69 0.00 0.00 174.62 175.61 1h7x s ASN 585 N 1.98 4.87 0.46 3.53 0.01 -1.26 -4.99 114.94 119.54 1h7x s ASN 585 Ca 0.04 1.55 0.06 0.00 -0.71 0.00 0.00 52.86 53.81 1h7x s ASN 585 Cb -0.13 -2.35 -0.02 0.00 0.41 0.00 0.00 41.25 39.16 1h7x s ASN 585 CO -0.05 -1.76 0.22 0.68 -1.51 0.00 0.00 177.10 174.68 1h7x s VAL 586 N -3.05 2.00 -0.09 1.60 -7.23 -1.26 -5.13 120.40 107.25 1h7x s VAL 586 Ca 0.60 -1.67 -0.12 0.00 -1.81 0.00 0.00 61.98 58.97 1h7x s VAL 586 Cb -0.15 -2.67 0.03 0.00 0.56 0.00 0.00 36.38 34.15 1h7x s VAL 586 CO 0.55 0.00 0.32 -0.94 -0.31 0.00 0.00 175.10 174.72 1h7x s SER 587 N -4.00 -0.29 0.69 4.85 1.04 -1.26 -4.34 113.70 110.38 1h7x s SER 587 Ca 0.35 0.48 -0.14 0.00 0.48 0.00 0.00 55.95 57.12 1h7x s SER 587 Cb 0.02 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.71 1h7x s SER 587 CO 0.20 -0.22 1.10 -2.16 0.98 0.00 0.00 173.24 173.14 1h7x s PRO 588 N -0.31 2.67 0.00 4.02 0.04 -1.26 -4.57 135.00 135.59 1h7x s PRO 588 Ca -0.04 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1h7x s PRO 588 Cb -0.03 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1h7x s PRO 588 CO 0.02 -1.34 0.00 2.89 0.04 0.00 0.00 177.00 178.60 1h7x n ARG 589 N -2.70 0.00 -3.81 4.56 1.85 -1.26 -4.76 116.66 110.54 1h7x n ARG 589 Ca 0.10 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.71 1h7x n ARG 589 Cb 0.52 -0.18 -0.17 0.00 -1.05 0.00 0.00 32.46 31.58 1h7x n ARG 589 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1h7x s ILE 590 N 0.00 0.54 0.21 8.89 1.01 -1.26 -0.76 121.20 129.83 1h7x s ILE 590 Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 60.65 60.75 1h7x s ILE 590 Cb 0.00 -0.66 -0.05 0.00 0.01 0.00 0.00 42.46 41.76 1h7x s ILE 590 CO 0.00 0.29 -0.15 0.68 0.00 0.00 0.00 174.94 175.75 1h7x s VAL 591 N 1.88 1.84 0.65 2.92 -7.23 -0.06 -4.98 120.40 115.43 1h7x s VAL 591 Ca 0.05 -2.22 -0.14 0.00 -1.81 0.00 0.00 61.98 57.85 1h7x s VAL 591 Cb -0.12 -2.07 -0.01 0.00 0.56 0.00 0.00 36.38 34.74 1h7x s VAL 591 CO -0.06 -0.56 1.07 0.00 -0.31 0.00 0.00 175.10 175.25 1h7x s ARG 592 N -3.58 3.00 0.43 4.82 1.70 -1.26 -1.49 118.95 122.57 1h7x s ARG 592 Ca 0.23 1.20 -0.16 0.00 -0.47 0.00 0.00 55.73 56.54 1h7x s ARG 592 Cb -0.02 -1.99 -0.08 0.00 -0.57 0.00 0.00 34.95 32.29 1h7x s ARG 592 CO 0.08 -1.07 0.87 0.20 -1.08 0.00 0.00 175.30 174.30 1h7x s GLY 593 N -2.98 2.17 -0.02 3.88 0.00 0.92 -4.65 107.32 106.63 1h7x s GLY 593 Ca 0.63 0.11 0.13 0.00 0.00 0.00 0.00 44.72 45.59 1h7x s GLY 593 CO 0.43 0.35 1.32 -1.30 0.00 0.00 0.00 173.10 173.91 1h7x n THR 594 N -1.02 1.13 0.25 0.90 -2.24 -1.26 -4.64 114.28 107.40 1h7x n THR 594 Ca 0.05 -1.07 0.10 0.00 -2.27 0.00 0.00 64.05 60.85 1h7x n THR 594 Cb 0.54 0.43 0.46 0.00 -2.10 0.00 0.00 70.33 69.65 1h7x n THR 594 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1h7x n THR 595 N 0.62 1.09 -2.05 4.28 -2.24 -1.26 -2.85 114.28 111.86 1h7x n THR 595 Ca 0.15 0.49 0.04 0.00 -2.27 0.00 0.00 64.05 62.46 1h7x n THR 595 Cb 0.51 -1.44 0.08 0.00 -2.10 0.00 0.00 70.33 67.37 1h7x n THR 595 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1h7x n SER 596 N -2.09 1.16 0.00 3.42 3.41 -1.26 -5.06 113.62 113.20 1h7x n SER 596 Ca 0.00 -2.62 0.00 0.00 -0.26 0.00 0.00 58.87 56.00 1h7x n SER 596 Cb 0.11 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1h7x n SER 596 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h7x n GLY 597 N -0.19 -2.50 2.49 5.00 0.00 -1.13 -4.52 105.19 104.34 1h7x n GLY 597 Ca 0.10 -1.63 -0.23 0.00 0.00 0.00 0.00 46.02 44.26 1h7x n GLY 597 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1h7x n PRO 598 N -0.58 2.28 -3.89 1.61 -0.04 -1.26 -4.83 135.00 128.29 1h7x n PRO 598 Ca 0.00 -1.48 -0.35 0.00 -0.04 0.00 0.00 63.50 61.62 1h7x n PRO 598 Cb 0.00 -2.43 -0.14 0.00 -0.04 0.00 0.00 33.50 30.90 1h7x n PRO 598 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1h7x s MET 599 N 2.93 3.04 0.25 0.54 -1.94 -1.26 -5.10 119.30 117.76 1h7x s MET 599 Ca 0.46 -0.85 0.07 0.00 -1.71 0.00 0.00 55.69 53.66 1h7x s MET 599 Cb 0.13 -3.10 -0.04 0.00 2.01 0.00 0.00 34.83 33.83 1h7x s MET 599 CO -0.03 -0.36 0.18 0.71 -0.01 0.00 0.00 175.02 175.51 1h7x s TYR 600 N 1.41 3.08 0.00 -0.03 1.51 -1.26 -4.94 117.35 117.13 1h7x s TYR 600 Ca 0.02 -0.12 0.00 0.00 -1.01 0.00 0.00 57.07 55.96 1h7x s TYR 600 Cb -0.16 -1.39 0.00 0.00 -0.11 0.00 0.00 41.96 40.30 1h7x s TYR 600 CO -0.02 0.53 0.00 0.41 -1.11 0.00 0.00 175.55 175.36 1h7x n GLY 601 N -1.16 0.91 3.69 0.71 0.00 -1.26 -5.01 105.19 103.07 1h7x n GLY 601 Ca -0.08 -1.67 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 1h7x n GLY 601 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1h7x n PRO 602 N 0.00 0.73 -3.52 1.61 -0.04 -1.26 -4.06 135.00 128.47 1h7x n PRO 602 Ca 0.00 0.31 -0.20 0.00 -0.04 0.00 0.00 63.50 63.57 1h7x n PRO 602 Cb 0.00 -2.42 0.08 0.00 -0.04 0.00 0.00 33.50 31.12 1h7x n PRO 602 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1h7x n GLY 603 N 0.89 -0.42 3.74 0.55 0.00 -1.26 -4.94 105.19 103.75 1h7x n GLY 603 Ca 0.15 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 1h7x n GLY 603 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1h7x s GLN 604 N -5.73 4.16 0.00 1.61 -1.52 -1.26 -4.85 119.66 112.07 1h7x s GLN 604 Ca 0.20 2.51 0.14 0.00 -1.95 0.00 0.00 55.36 56.26 1h7x s GLN 604 Cb -0.09 -3.07 0.63 0.00 -0.22 0.00 0.00 33.01 30.27 1h7x s GLN 604 CO 0.74 -0.62 1.46 -1.13 -0.25 0.00 0.00 175.29 175.49 1h7x n SER 605 N 2.82 0.00 -3.66 5.90 3.41 -1.26 -4.76 113.62 116.07 1h7x n SER 605 Ca 0.10 0.45 0.03 0.00 -0.26 0.00 0.00 58.87 59.19 1h7x n SER 605 Cb 0.38 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 1h7x n SER 605 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1h7x s SER 606 N -2.95 -0.02 0.06 4.04 1.04 -1.26 -0.80 113.70 113.81 1h7x s SER 606 Ca 0.08 -0.08 -0.03 0.00 0.48 0.00 0.00 55.95 56.39 1h7x s SER 606 Cb 0.09 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.27 1h7x s SER 606 CO 0.26 -0.16 0.04 -0.36 0.98 0.00 0.00 173.24 174.00 1h7x s PHE 607 N -2.16 0.39 -0.03 5.02 0.08 -0.92 -0.06 117.98 120.30 1h7x s PHE 607 Ca 0.19 -0.87 0.03 0.00 0.12 0.00 0.00 56.93 56.39 1h7x s PHE 607 Cb 0.05 -0.28 -0.00 0.00 -0.57 0.00 0.00 43.02 42.22 1h7x s PHE 607 CO -0.04 -0.41 -0.11 -1.17 -0.10 0.00 0.00 175.22 173.38 1h7x s LEU 608 N -2.77 1.87 0.04 -0.37 0.20 -0.55 -1.15 118.68 115.94 1h7x s LEU 608 Ca 0.04 -0.23 0.02 0.00 0.69 0.00 0.00 54.13 54.66 1h7x s LEU 608 Cb 0.06 -0.65 -0.02 0.00 -0.43 0.00 0.00 46.19 45.14 1h7x s LEU 608 CO -0.09 0.10 -0.08 0.54 -0.29 0.00 0.00 176.35 176.53 1h7x s ASN 609 N 0.04 0.90 -0.23 3.68 2.20 -0.74 -0.88 114.94 119.91 1h7x s ASN 609 Ca -0.01 -0.52 0.12 0.00 -0.94 0.00 0.00 52.86 51.51 1h7x s ASN 609 Cb -0.08 0.02 0.45 0.00 -2.00 0.00 0.00 41.25 39.64 1h7x s ASN 609 CO 0.01 -0.17 1.19 2.30 -2.94 0.00 0.00 177.10 177.48 1h7x n ILE 610 N 1.56 2.03 -2.83 0.54 -5.35 0.06 -0.89 119.36 114.47 1h7x n ILE 610 Ca -0.22 -3.42 -0.33 0.00 -0.27 0.00 0.00 62.75 58.51 1h7x n ILE 610 Cb 0.55 -0.33 -0.06 0.00 -1.74 0.00 0.00 39.64 38.06 1h7x n ILE 610 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1h7x s GLU 611 N -3.16 4.11 0.00 6.28 2.12 -1.26 -4.82 118.70 121.98 1h7x s GLU 611 Ca 0.42 0.96 0.00 0.00 0.36 0.00 0.00 54.97 56.71 1h7x s GLU 611 Cb 0.38 -2.24 0.00 0.00 0.26 0.00 0.00 34.13 32.53 1h7x s GLU 611 CO -0.03 -0.02 0.00 1.28 -0.54 0.00 0.00 175.26 175.95 1h7x n LEU 612 N -0.75 0.00 0.00 2.70 4.77 -1.26 -5.06 117.00 117.40 1h7x n LEU 612 Ca 0.06 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 1h7x n LEU 612 Cb 0.54 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.69 1h7x n LEU 612 CO 0.40 -0.15 0.24 2.30 -1.33 0.00 0.00 177.39 178.85 1h7x n ILE 613 N -0.33 0.00 -1.73 -0.08 -5.35 -1.26 -4.95 119.36 105.65 1h7x n ILE 613 Ca 0.00 -0.25 -0.42 0.00 -0.27 0.00 0.00 62.75 61.81 1h7x n ILE 613 Cb 0.00 -1.63 -0.01 0.00 -1.74 0.00 0.00 39.64 36.26 1h7x n ILE 613 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1h7x n SER 614 N -3.34 3.32 -0.15 7.28 2.88 0.18 -4.89 113.62 118.91 1h7x n SER 614 Ca 0.05 1.20 0.13 0.00 -1.33 0.00 0.00 58.87 58.92 1h7x n SER 614 Cb 0.17 -1.55 0.42 0.00 -0.75 0.00 0.00 64.21 62.50 1h7x n SER 614 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1h7x n GLU 615 N 0.86 0.58 -3.35 -1.46 1.02 -1.26 -4.59 120.64 112.44 1h7x n GLU 615 Ca 0.04 -0.30 -0.33 0.00 -0.02 0.00 0.00 57.16 56.55 1h7x n GLU 615 Cb 0.37 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.24 1h7x n GLU 615 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1h7x s LYS 616 N -2.63 3.90 0.79 3.49 1.02 -1.26 -4.89 119.74 120.17 1h7x s LYS 616 Ca 0.22 0.42 -0.11 0.00 0.02 0.00 0.00 55.97 56.52 1h7x s LYS 616 Cb 0.19 -2.71 0.07 0.00 -0.52 0.00 0.00 37.83 34.86 1h7x s LYS 616 CO 0.55 0.35 1.09 0.95 -0.92 0.00 0.00 175.35 177.36 1h7x s THR 617 N -1.72 3.26 0.36 2.17 -4.23 -1.26 -4.77 115.64 109.43 1h7x s THR 617 Ca 0.45 0.41 0.06 0.00 -1.18 0.00 0.00 61.69 61.43 1h7x s THR 617 Cb -0.12 -2.96 0.16 0.00 1.34 0.00 0.00 72.50 70.92 1h7x s THR 617 CO 0.20 -0.53 1.89 0.00 -0.54 0.00 0.00 174.62 175.64 1h7x h ALA 618 N -1.16 1.43 -0.61 3.99 0.00 -1.94 -1.78 119.26 119.19 1h7x h ALA 618 Ca -0.45 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 1h7x h ALA 618 Cb 1.24 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1h7x h ALA 618 CO 0.54 0.40 0.28 0.00 0.00 0.00 0.00 179.25 180.47 1h7x h ALA 619 N 1.56 0.79 -0.00 0.00 0.00 -1.92 0.13 119.26 119.81 1h7x h ALA 619 Ca 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1h7x h ALA 619 Cb 0.33 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1h7x h ALA 619 CO 0.01 0.37 0.00 -0.92 0.00 0.00 0.00 179.25 178.71 1h7x h TYR 620 N 0.84 0.01 -0.68 0.00 5.03 -1.76 -1.86 116.97 118.54 1h7x h TYR 620 Ca 0.21 -0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.45 1h7x h TYR 620 Cb 0.15 -0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.40 1h7x h TYR 620 CO 0.00 0.11 0.15 -1.49 -1.32 0.00 0.00 178.16 175.62 1h7x h TRP 621 N -0.10 1.16 -0.47 -3.82 4.06 -1.12 -0.52 115.95 115.14 1h7x h TRP 621 Ca 0.00 -0.14 -0.12 0.00 2.06 0.00 0.00 58.89 60.69 1h7x h TRP 621 Cb 0.11 -0.33 -0.01 0.00 -1.00 0.00 0.00 29.16 27.93 1h7x h TRP 621 CO -0.04 0.96 -0.17 0.00 -3.56 0.00 0.00 178.44 175.62 1h7x h GLN 623 N 0.79 0.85 -0.65 0.00 4.15 -1.26 -2.33 115.11 116.67 1h7x h GLN 623 Ca 0.11 -0.33 -0.01 0.00 0.77 0.00 0.00 58.65 59.19 1h7x h GLN 623 Cb 0.74 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.35 1h7x h GLN 623 CO 0.06 0.96 0.37 0.77 -1.93 0.00 0.00 178.83 179.06 1h7x h SER 624 N 0.75 0.80 -0.57 -0.69 0.02 -0.80 -1.75 113.55 111.30 1h7x h SER 624 Ca 0.11 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1h7x h SER 624 Cb 0.70 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 1h7x h SER 624 CO 0.05 0.65 0.28 0.58 -1.14 0.00 0.00 176.83 177.25 1h7x h VAL 625 N 0.88 1.21 -0.41 2.27 2.07 -0.71 0.05 116.25 121.61 1h7x h VAL 625 Ca 0.23 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 67.19 1h7x h VAL 625 Cb 0.02 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1h7x h VAL 625 CO -0.04 0.23 0.23 0.74 0.02 0.00 0.00 177.57 178.75 1h7x h THR 626 N 0.77 1.01 -0.00 2.57 2.02 -1.11 -0.32 112.91 117.84 1h7x h THR 626 Ca 0.20 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1h7x h THR 626 Cb 0.12 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1h7x h THR 626 CO -0.02 0.08 0.00 -0.33 0.37 0.00 0.00 175.52 175.62 1h7x h GLU 627 N 0.46 0.01 -0.60 6.66 5.08 -0.97 -1.28 114.58 123.93 1h7x h GLU 627 Ca 0.17 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1h7x h GLU 627 Cb 0.04 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1h7x h GLU 627 CO -0.09 0.03 0.34 -0.07 -1.00 0.00 0.00 179.01 178.21 1h7x h LEU 628 N -0.02 0.74 -1.14 1.33 3.38 -0.77 -1.46 115.31 117.37 1h7x h LEU 628 Ca 0.00 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1h7x h LEU 628 Cb 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1h7x h LEU 628 CO -0.00 0.61 -0.39 0.11 0.09 0.00 0.00 178.44 178.86 1h7x h LYS 629 N 0.81 0.00 -0.26 1.13 1.79 -0.99 0.28 116.57 119.33 1h7x h LYS 629 Ca 0.21 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.51 1h7x h LYS 629 Cb 0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1h7x h LYS 629 CO -0.04 0.39 -0.50 0.00 -1.08 0.00 0.00 179.45 178.23 1h7x h ALA 630 N 1.61 0.41 0.00 3.86 0.00 -0.72 -3.05 119.26 121.36 1h7x h ALA 630 Ca -0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1h7x h ALA 630 Cb 0.78 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1h7x h ALA 630 CO 0.05 0.58 -0.89 -0.44 0.00 0.00 0.00 179.25 178.55 1h7x h ASP 631 N 0.54 0.00 -2.07 0.00 3.32 -1.08 -3.40 116.42 113.74 1h7x h ASP 631 Ca 0.01 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.50 1h7x h ASP 631 Cb 1.10 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.25 1h7x h ASP 631 CO 0.11 0.19 -0.95 0.49 -1.72 0.00 0.00 179.24 177.36 1h7x n PHE 632 N -2.86 1.11 0.23 4.55 3.72 0.96 -4.96 117.46 120.21 1h7x n PHE 632 Ca -0.02 -3.79 0.16 0.00 -0.05 0.00 0.00 57.45 53.75 1h7x n PHE 632 Cb 0.64 -0.43 0.83 0.00 -0.94 0.00 0.00 39.48 39.59 1h7x n PHE 632 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1h7x h PRO 633 N 3.80 0.00 -0.00 -1.08 0.13 -1.75 -2.23 132.00 130.86 1h7x h PRO 633 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1h7x h PRO 633 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1h7x h PRO 633 CO 0.59 0.00 -0.53 -0.25 -0.23 0.00 0.00 178.00 177.59 1h7x n ASP 634 N -3.89 0.94 -4.72 1.44 8.00 -1.26 -4.84 116.55 112.22 1h7x n ASP 634 Ca 0.00 -0.74 -0.37 0.00 0.71 0.00 0.00 54.79 54.40 1h7x n ASP 634 Cb 0.25 0.39 -0.07 0.00 -0.02 0.00 0.00 41.12 41.68 1h7x n ASP 634 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1h7x s ASN 635 N -2.79 6.47 0.05 -2.24 -0.87 -0.84 -4.53 114.94 110.19 1h7x s ASN 635 Ca 0.15 0.55 -0.30 0.00 -1.57 0.00 0.00 52.86 51.69 1h7x s ASN 635 Cb 0.18 -2.20 -0.05 0.00 -0.02 0.00 0.00 41.25 39.16 1h7x s ASN 635 CO 0.67 0.07 1.11 -0.63 -2.57 0.00 0.00 177.10 175.75 1h7x s ILE 636 N 0.57 4.31 -0.18 0.60 -1.09 -0.99 -4.95 121.20 119.46 1h7x s ILE 636 Ca 0.18 1.68 0.01 0.00 -2.23 0.00 0.00 60.65 60.29 1h7x s ILE 636 Cb -0.13 -4.08 0.02 0.00 -1.58 0.00 0.00 42.46 36.69 1h7x s ILE 636 CO 0.05 0.14 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.03 1h7x s VAL 637 N 0.94 2.19 -0.19 2.92 1.01 -1.26 -1.47 120.40 124.54 1h7x s VAL 637 Ca 0.56 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1h7x s VAL 637 Cb -0.26 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1h7x s VAL 637 CO 0.29 0.52 -0.07 -0.63 0.00 0.00 0.00 175.10 175.22 1h7x s ILE 638 N 1.31 3.36 -0.27 2.22 1.01 -0.67 -1.10 121.20 127.06 1h7x s ILE 638 Ca 0.05 -0.52 -0.22 0.00 0.00 0.00 0.00 60.65 59.96 1h7x s ILE 638 Cb -0.13 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.84 1h7x s ILE 638 CO -0.12 0.46 0.72 0.00 0.00 0.00 0.00 174.94 176.00 1h7x s ALA 639 N 1.01 3.60 -0.17 9.38 0.00 -0.55 -1.77 121.76 133.26 1h7x s ALA 639 Ca -0.00 -0.37 -0.19 0.00 0.00 0.00 0.00 51.96 51.40 1h7x s ALA 639 Cb -0.15 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 1h7x s ALA 639 CO -0.00 -0.96 0.55 0.45 0.00 0.00 0.00 175.76 175.80 1h7x s SER 640 N 1.48 6.66 0.14 0.00 0.15 -1.26 -0.91 113.70 119.96 1h7x s SER 640 Ca 0.30 0.79 0.05 0.00 0.70 0.00 0.00 55.95 57.78 1h7x s SER 640 Cb -0.15 -2.31 -0.04 0.00 -1.71 0.00 0.00 66.02 61.80 1h7x s SER 640 CO 0.09 -0.15 -0.11 0.27 1.20 0.00 0.00 173.24 174.55 1h7x s ILE 641 N 1.37 1.17 -0.13 6.45 -4.36 -0.44 -1.49 121.20 123.77 1h7x s ILE 641 Ca 0.27 -1.97 -0.10 0.00 -0.26 0.00 0.00 60.65 58.59 1h7x s ILE 641 Cb -0.16 -1.75 0.04 0.00 1.25 0.00 0.00 42.46 41.85 1h7x s ILE 641 CO 0.11 -0.68 0.33 -0.32 0.24 0.00 0.00 174.94 174.62 1h7x s MET 642 N -3.48 0.36 0.16 0.37 1.75 -0.68 -1.36 119.30 116.41 1h7x s MET 642 Ca 0.14 0.54 0.01 0.00 -1.25 0.00 0.00 55.69 55.13 1h7x s MET 642 Cb 0.01 0.09 -0.04 0.00 2.84 0.00 0.00 34.83 37.72 1h7x s MET 642 CO 0.01 -0.09 0.02 0.00 -0.65 0.00 0.00 175.02 174.31 1h7x s SER 644 N -3.14 2.28 -1.12 0.00 1.04 -1.26 -4.75 113.70 106.76 1h7x s SER 644 Ca 0.24 0.33 -0.20 0.00 0.48 0.00 0.00 55.95 56.79 1h7x s SER 644 Cb 0.07 -0.39 -0.06 0.00 0.10 0.00 0.00 66.02 65.73 1h7x s SER 644 CO 0.03 -3.26 1.93 0.00 0.98 0.00 0.00 173.24 172.93 1h7x n TYR 645 N -4.13 2.96 -3.69 5.02 9.36 -1.26 -4.79 117.16 120.63 1h7x n TYR 645 Ca 0.15 -2.04 -0.17 0.00 3.32 0.00 0.00 57.90 59.16 1h7x n TYR 645 Cb 0.59 -2.34 -0.16 0.00 -0.63 0.00 0.00 39.34 36.80 1h7x n TYR 645 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1h7x s ASN 646 N 5.16 0.70 0.10 2.98 3.84 -1.26 -5.07 114.94 121.39 1h7x s ASN 646 Ca 0.59 0.19 -0.25 0.00 0.21 0.00 0.00 52.86 53.61 1h7x s ASN 646 Cb 0.07 0.06 -0.11 0.00 -0.55 0.00 0.00 41.25 40.72 1h7x s ASN 646 CO 0.09 -0.22 1.68 0.50 -2.79 0.00 0.00 177.10 176.36 1h7x h LYS 647 N 8.12 -0.28 -0.85 0.43 3.64 -1.99 -2.25 116.57 123.39 1h7x h LYS 647 Ca -0.21 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.23 1h7x h LYS 647 Cb 1.12 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 1h7x h LYS 647 CO 0.22 -0.19 0.56 -0.91 -2.27 0.00 0.00 179.45 176.87 1h7x h ASN 648 N -0.29 0.90 0.40 4.20 2.35 -1.98 -1.66 115.58 119.50 1h7x h ASN 648 Ca 0.01 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1h7x h ASN 648 Cb 0.29 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1h7x h ASN 648 CO -0.06 0.62 -0.19 0.44 -1.65 0.00 0.00 177.43 176.59 1h7x h ASP 649 N 1.05 -0.45 -0.91 5.81 3.32 -1.89 -0.23 116.42 123.12 1h7x h ASP 649 Ca 0.34 -0.08 0.08 0.00 0.02 0.00 0.00 57.03 57.39 1h7x h ASP 649 Cb 0.04 0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.64 1h7x h ASP 649 CO -0.10 -0.18 0.56 -0.50 -1.72 0.00 0.00 179.24 177.30 1h7x h TRP 650 N -0.72 1.03 -0.53 4.55 4.06 -1.23 0.46 115.95 123.56 1h7x h TRP 650 Ca -0.05 0.03 -0.11 0.00 2.06 0.00 0.00 58.89 60.82 1h7x h TRP 650 Cb 0.51 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 28.32 1h7x h TRP 650 CO -0.01 0.49 -0.09 0.52 -3.56 0.00 0.00 178.44 175.79 1h7x h MET 651 N 0.98 1.01 -0.03 0.49 2.86 -1.24 -1.12 114.93 117.88 1h7x h MET 651 Ca 0.41 -0.37 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1h7x h MET 651 Cb 0.26 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 1h7x h MET 651 CO -0.20 1.05 0.00 1.49 1.06 0.00 0.00 176.91 180.31 1h7x h GLU 652 N 0.88 0.05 -0.34 1.72 4.81 -0.16 -2.24 114.58 119.31 1h7x h GLU 652 Ca 0.14 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1h7x h GLU 652 Cb 0.65 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1h7x h GLU 652 CO 0.05 0.30 -0.02 1.25 -0.73 0.00 0.00 179.01 179.85 1h7x h LEU 653 N -0.20 0.60 -0.87 1.64 5.85 -0.95 -1.84 115.31 119.55 1h7x h LEU 653 Ca 0.01 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 1h7x h LEU 653 Cb 0.27 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1h7x h LEU 653 CO 0.00 0.78 0.49 0.77 -0.34 0.00 0.00 178.44 180.14 1h7x h SER 654 N 0.41 1.07 -0.35 1.25 4.64 -1.24 -0.94 113.55 118.38 1h7x h SER 654 Ca 0.09 -0.09 -0.10 0.00 -0.47 0.00 0.00 61.79 61.23 1h7x h SER 654 Cb 0.49 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 1h7x h SER 654 CO 0.02 0.85 -0.12 0.03 -0.87 0.00 0.00 176.83 176.74 1h7x h ARG 655 N 1.20 0.80 -0.55 4.77 3.08 -1.30 -0.19 114.38 122.19 1h7x h ARG 655 Ca 0.31 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 1h7x h ARG 655 Cb 0.01 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1h7x h ARG 655 CO -0.05 0.88 0.13 -0.22 -1.07 0.00 0.00 179.97 179.64 1h7x h LYS 656 N 0.72 0.88 -0.52 0.04 3.64 -0.80 -0.42 116.57 120.11 1h7x h LYS 656 Ca 0.12 -0.21 -0.09 0.00 -1.27 0.00 0.00 60.65 59.19 1h7x h LYS 656 Cb 0.61 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1h7x h LYS 656 CO 0.04 0.83 -0.03 0.00 -2.27 0.00 0.00 179.45 178.01 1h7x h ALA 657 N 1.01 0.70 -0.62 5.00 0.00 -0.93 -2.72 119.26 121.70 1h7x h ALA 657 Ca 0.17 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1h7x h ALA 657 Cb 0.34 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1h7x h ALA 657 CO 0.00 0.54 0.25 1.49 0.00 0.00 0.00 179.25 181.53 1h7x h GLU 658 N 0.80 0.93 0.00 0.00 4.81 -0.82 -2.52 114.58 117.79 1h7x h GLU 658 Ca 0.14 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1h7x h GLU 658 Cb 0.57 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 1h7x h GLU 658 CO 0.03 0.79 -0.07 0.00 -0.73 0.00 0.00 179.01 179.04 1h7x h ALA 659 N 1.10 1.39 0.00 2.92 0.00 -0.91 -1.73 119.26 122.01 1h7x h ALA 659 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1h7x h ALA 659 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1h7x h ALA 659 CO -0.02 0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.19 1h7x n SER 660 N -3.72 0.26 0.00 0.00 3.41 -0.95 -4.88 113.62 107.74 1h7x n SER 660 Ca -0.02 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1h7x n SER 660 Cb 0.17 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 1h7x n SER 660 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h7x n GLY 661 N 0.63 1.09 3.76 5.00 0.00 -0.65 -3.13 105.19 111.90 1h7x n GLY 661 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1h7x n GLY 661 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h7x n ALA 662 N -1.65 2.04 0.15 4.61 0.00 -1.23 -4.89 120.51 119.53 1h7x n ALA 662 Ca 0.00 0.26 -0.00 0.00 0.00 0.00 0.00 53.44 53.70 1h7x n ALA 662 Cb 0.00 -2.39 0.21 0.00 0.00 0.00 0.00 19.45 17.27 1h7x n ALA 662 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1h7x h ASP 663 N 2.36 0.00 -5.18 0.00 3.32 -1.49 -3.47 116.42 111.96 1h7x h ASP 663 Ca -0.51 0.00 0.10 0.00 0.02 0.00 0.00 57.03 56.64 1h7x h ASP 663 Cb 1.27 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.77 1h7x h ASP 663 CO 0.61 0.57 0.39 0.00 -1.72 0.00 0.00 179.24 179.09 1h7x s ALA 664 N -3.68 -1.30 0.18 3.45 0.00 -1.23 -4.29 121.76 114.90 1h7x s ALA 664 Ca -0.01 -0.30 0.10 0.00 0.00 0.00 0.00 51.96 51.75 1h7x s ALA 664 Cb 0.13 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.93 1h7x s ALA 664 CO 0.75 -1.03 -0.22 -0.51 0.00 0.00 0.00 175.76 174.75 1h7x s LEU 665 N -3.06 2.44 -0.11 0.00 1.43 -0.64 -1.48 118.68 117.25 1h7x s LEU 665 Ca 0.15 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1h7x s LEU 665 Cb -0.04 -1.03 0.02 0.00 0.03 0.00 0.00 46.19 45.18 1h7x s LEU 665 CO 0.06 0.06 -0.10 -0.70 0.23 0.00 0.00 176.35 175.90 1h7x s GLU 666 N -2.73 1.70 -0.32 1.70 2.12 -0.09 -0.42 118.70 120.67 1h7x s GLU 666 Ca 0.19 -0.34 -0.19 0.00 0.36 0.00 0.00 54.97 54.98 1h7x s GLU 666 Cb -0.07 -1.62 -0.01 0.00 0.26 0.00 0.00 34.13 32.69 1h7x s GLU 666 CO 0.09 -0.18 0.57 -0.51 -0.54 0.00 0.00 175.26 174.68 1h7x s LEU 667 N 1.38 4.20 -0.34 2.70 1.43 0.98 -1.33 118.68 127.71 1h7x s LEU 667 Ca -0.01 0.27 -0.25 0.00 -1.03 0.00 0.00 54.13 53.11 1h7x s LEU 667 Cb -0.13 -2.70 0.01 0.00 0.03 0.00 0.00 46.19 43.39 1h7x s LEU 667 CO -0.05 -0.45 0.87 0.21 0.23 0.00 0.00 176.35 177.15 1h7x s ASN 668 N 1.68 6.68 -0.52 2.29 3.84 -0.46 -1.02 114.94 127.42 1h7x s ASN 668 Ca 0.22 0.62 0.01 0.00 0.21 0.00 0.00 52.86 53.92 1h7x s ASN 668 Cb -0.15 -2.44 0.51 0.00 -0.55 0.00 0.00 41.25 38.62 1h7x s ASN 668 CO 0.12 -0.75 1.95 0.18 -2.79 0.00 0.00 177.10 175.81 1h7x n LEU 669 N 6.52 7.02 -0.01 3.21 4.77 -1.26 -4.52 117.00 132.73 1h7x n LEU 669 Ca 0.06 -3.81 0.13 0.00 -0.03 0.00 0.00 56.01 52.36 1h7x n LEU 669 Cb 0.48 -0.91 0.43 0.00 -2.33 0.00 0.00 43.42 41.10 1h7x n LEU 669 CO 0.55 1.23 0.70 -1.20 -1.33 0.00 0.00 177.39 177.34 1h7x n SER 670 N -0.86 0.27 -4.73 -1.43 7.64 -1.26 -1.25 113.62 112.00 1h7x n SER 670 Ca 0.57 0.07 -0.42 0.00 1.01 0.00 0.00 58.87 60.10 1h7x n SER 670 Cb 1.09 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 64.16 1h7x n SER 670 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h7x s ALA 671 N -2.98 3.62 0.32 -0.43 0.00 -1.26 -4.72 121.76 116.31 1h7x s ALA 671 Ca 0.13 1.22 -0.29 0.00 0.00 0.00 0.00 51.96 53.03 1h7x s ALA 671 Cb 0.18 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 19.66 1h7x s ALA 671 CO 0.61 -0.66 1.41 -2.14 0.00 0.00 0.00 175.76 174.98 1h7x s PRO 672 N 0.34 4.26 0.07 0.00 0.02 -1.26 -0.84 135.00 137.58 1h7x s PRO 672 Ca 0.62 2.35 0.27 0.00 0.02 0.00 0.00 61.00 64.26 1h7x s PRO 672 Cb -0.39 -3.05 0.83 0.00 0.02 0.00 0.00 34.50 31.90 1h7x s PRO 672 CO 0.36 -0.37 1.68 -2.39 -0.33 0.00 0.00 177.00 175.96 1h7x n HIS 673 N 1.23 0.32 -1.49 6.54 1.44 0.43 -4.64 115.22 119.05 1h7x n HIS 673 Ca 0.03 0.09 -0.17 0.00 -2.01 0.00 0.00 57.72 55.66 1h7x n HIS 673 Cb 0.40 -0.58 -0.07 0.00 0.12 0.00 0.00 29.99 29.86 1h7x n HIS 673 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1h7x n GLY 674 N 1.43 1.62 2.91 -1.39 0.00 -1.26 -4.91 105.19 103.58 1h7x n GLY 674 Ca 0.06 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1h7x n GLY 674 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1h7x n MET 675 N -1.78 3.16 0.00 1.61 2.81 -1.26 -5.03 117.12 116.62 1h7x n MET 675 Ca -0.17 -4.55 0.00 0.00 -1.81 0.00 0.00 57.70 51.17 1h7x n MET 675 Cb 0.65 -2.40 0.00 0.00 -0.71 0.00 0.00 33.22 30.75 1h7x n MET 675 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1h7x n GLY 676 N 1.66 0.00 0.69 3.03 0.00 -1.26 -1.13 105.19 108.18 1h7x n GLY 676 Ca 0.25 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.34 1h7x n GLY 676 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h7x n GLU 677 N 0.00 2.88 0.00 1.61 1.02 -1.26 -4.31 120.64 120.58 1h7x n GLU 677 Ca 0.00 -2.32 0.13 0.00 -0.02 0.00 0.00 57.16 54.96 1h7x n GLU 677 Cb 0.00 -1.47 0.51 0.00 -0.02 0.00 0.00 31.44 30.46 1h7x n GLU 677 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1h7x n ARG 678 N 0.08 0.34 -4.17 3.49 1.74 -0.29 -4.69 116.66 113.17 1h7x n ARG 678 Ca 0.15 -0.13 -0.21 0.00 -0.77 0.00 0.00 57.85 56.89 1h7x n ARG 678 Cb 0.59 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.37 1h7x n ARG 678 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1h7x s GLY 679 N -2.74 0.49 0.25 -0.13 0.00 -0.90 -5.05 107.32 99.23 1h7x s GLY 679 Ca 0.20 -0.10 -0.31 0.00 0.00 0.00 0.00 44.72 44.51 1h7x s GLY 679 CO 0.55 0.45 1.43 1.03 0.00 0.00 0.00 173.10 176.56 1h7x n MET 680 N 4.10 2.12 0.00 2.90 2.81 -1.26 -4.63 117.12 123.15 1h7x n MET 680 Ca -0.24 0.75 0.00 0.00 -1.81 0.00 0.00 57.70 56.41 1h7x n MET 680 Cb 0.51 -2.42 0.00 0.00 -0.71 0.00 0.00 33.22 30.60 1h7x n MET 680 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1h7x n GLY 681 N 2.12 1.31 0.01 3.03 0.00 -1.26 -4.22 105.19 106.18 1h7x n GLY 681 Ca 0.11 -0.58 -0.01 0.00 0.00 0.00 0.00 46.02 45.54 1h7x n GLY 681 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h7x n LEU 682 N 0.00 1.86 -4.85 0.99 4.77 -1.26 -4.89 117.00 113.62 1h7x n LEU 682 Ca 0.00 -0.01 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 1h7x n LEU 682 Cb 0.00 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1h7x n LEU 682 CO 0.00 0.34 0.41 0.00 -1.33 0.00 0.00 177.39 176.82 1h7x s ALA 683 N -2.04 3.33 0.33 -1.18 0.00 -1.26 -0.43 121.76 120.52 1h7x s ALA 683 Ca -0.02 0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.02 1h7x s ALA 683 Cb 0.01 -2.76 0.65 0.00 0.00 0.00 0.00 23.12 21.02 1h7x s ALA 683 CO 0.05 0.34 1.93 0.00 0.00 0.00 0.00 175.76 178.08 1h7x n GLY 685 N -1.42 -0.66 0.78 0.00 0.00 -0.38 -2.02 105.19 101.49 1h7x n GLY 685 Ca 0.12 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1h7x n GLY 685 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h7x n GLN 686 N -1.34 1.96 -4.04 1.61 6.02 -0.57 -4.63 117.38 116.39 1h7x n GLN 686 Ca 0.04 -1.57 -0.31 0.00 -0.01 0.00 0.00 57.00 55.15 1h7x n GLN 686 Cb 0.09 -1.47 -0.16 0.00 1.02 0.00 0.00 30.24 29.72 1h7x n GLN 686 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1h7x s ASP 687 N -2.13 3.68 0.25 1.08 -1.08 -0.85 -4.67 116.67 112.95 1h7x s ASP 687 Ca 0.27 -1.01 -0.03 0.00 -0.52 0.00 0.00 52.55 51.27 1h7x s ASP 687 Cb 0.20 -1.38 0.48 0.00 -1.46 0.00 0.00 42.92 40.75 1h7x s ASP 687 CO 0.37 -0.13 1.76 -0.65 0.52 0.00 0.00 175.17 177.04 1h7x h PRO 688 N 7.90 0.56 -0.60 4.34 0.11 -1.88 -1.46 132.00 140.98 1h7x h PRO 688 Ca -0.29 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1h7x h PRO 688 Cb 1.09 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 1h7x h PRO 688 CO 0.50 0.37 0.38 1.49 -0.21 0.00 0.00 178.00 180.53 1h7x h GLU 689 N 0.58 0.80 -0.33 1.05 4.81 -1.94 -0.11 114.58 119.44 1h7x h GLU 689 Ca 0.43 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.52 1h7x h GLU 689 Cb 0.60 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1h7x h GLU 689 CO -0.35 0.56 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.31 1h7x h LEU 690 N 0.81 0.66 -0.42 1.64 3.38 -1.67 -2.52 115.31 117.19 1h7x h LEU 690 Ca 0.22 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1h7x h LEU 690 Cb -0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1h7x h LEU 690 CO -0.04 0.89 0.26 0.58 0.09 0.00 0.00 178.44 180.21 1h7x h VAL 691 N 0.43 1.13 -0.53 1.22 2.07 -1.05 -1.02 116.25 118.49 1h7x h VAL 691 Ca 0.08 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.36 1h7x h VAL 691 Cb 0.61 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1h7x h VAL 691 CO 0.04 0.13 0.30 -0.09 0.02 0.00 0.00 177.57 177.97 1h7x h ARG 692 N 0.56 0.58 -0.49 1.57 2.43 -0.95 -1.33 114.38 116.75 1h7x h ARG 692 Ca 0.15 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.17 1h7x h ARG 692 Cb -0.02 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 1h7x h ARG 692 CO -0.03 0.38 -0.15 -0.91 -1.51 0.00 0.00 179.97 177.75 1h7x h ASN 693 N 0.60 0.95 -0.34 -3.80 2.35 -1.20 -1.49 115.58 112.66 1h7x h ASN 693 Ca 0.22 -0.33 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 1h7x h ASN 693 Cb 0.06 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 1h7x h ASN 693 CO -0.12 1.09 0.18 0.40 -1.65 0.00 0.00 177.43 177.33 1h7x h ILE 694 N 0.83 1.14 -0.29 2.81 2.04 -0.86 -0.92 117.51 122.27 1h7x h ILE 694 Ca 0.12 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 1h7x h ILE 694 Cb 0.70 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1h7x h ILE 694 CO 0.05 0.15 0.01 0.00 0.00 0.00 0.00 178.15 178.36 1h7x h ARG 696 N 0.43 0.86 -0.38 0.00 2.43 -0.68 0.38 114.38 117.42 1h7x h ARG 696 Ca 0.10 -0.27 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 1h7x h ARG 696 Cb 0.27 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1h7x h ARG 696 CO 0.01 0.89 0.14 -1.49 -1.51 0.00 0.00 179.97 178.01 1h7x h TRP 697 N 0.72 0.58 -0.47 2.20 6.55 -0.66 -2.34 115.95 122.52 1h7x h TRP 697 Ca 0.14 -0.05 -0.10 0.00 0.95 0.00 0.00 58.89 59.83 1h7x h TRP 697 Cb 0.50 -0.17 -0.01 0.00 -0.86 0.00 0.00 29.16 28.61 1h7x h TRP 697 CO 0.04 0.53 -0.10 0.28 -1.05 0.00 0.00 178.44 178.14 1h7x h VAL 698 N 0.46 1.27 -0.67 1.49 2.07 -1.25 -2.43 116.25 117.19 1h7x h VAL 698 Ca 0.12 -1.22 0.02 0.00 0.82 0.00 0.00 66.70 66.44 1h7x h VAL 698 Cb 0.20 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1h7x h VAL 698 CO -0.01 0.42 0.44 -0.09 0.02 0.00 0.00 177.57 178.36 1h7x h ARG 699 N 0.75 0.84 -0.00 1.57 9.65 -0.78 -0.73 114.38 125.68 1h7x h ARG 699 Ca 0.12 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 1h7x h ARG 699 Cb 0.64 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 1h7x h ARG 699 CO 0.04 0.56 -0.22 0.00 2.80 0.00 0.00 179.97 183.15 1h7x n GLN 700 N -4.44 0.05 -0.04 0.20 10.64 -0.89 -3.88 117.38 119.01 1h7x n GLN 700 Ca 0.08 -0.02 -0.14 0.00 -1.83 0.00 0.00 57.00 55.09 1h7x n GLN 700 Cb 0.07 -1.50 -0.14 0.00 -0.86 0.00 0.00 30.24 27.81 1h7x n GLN 700 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1h7x n ALA 701 N -1.46 1.29 -2.37 2.61 0.00 -0.41 -5.00 120.51 115.17 1h7x n ALA 701 Ca 0.07 -0.84 -0.19 0.00 0.00 0.00 0.00 53.44 52.48 1h7x n ALA 701 Cb 0.33 -0.60 -0.10 0.00 0.00 0.00 0.00 19.45 19.08 1h7x n ALA 701 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1h7x s VAL 702 N -2.56 1.48 -0.07 0.00 -7.23 -0.48 -4.77 120.40 106.78 1h7x s VAL 702 Ca -0.15 -2.12 0.16 0.00 -1.81 0.00 0.00 61.98 58.07 1h7x s VAL 702 Cb 0.07 -2.28 -0.24 0.00 0.56 0.00 0.00 36.38 34.49 1h7x s VAL 702 CO 0.78 -0.41 0.27 0.00 -0.31 0.00 0.00 175.10 175.44 1h7x n GLN 703 N -0.47 0.80 -1.35 4.82 6.02 -1.26 -4.74 117.38 121.20 1h7x n GLN 703 Ca -0.06 -0.11 -0.31 0.00 -0.01 0.00 0.00 57.00 56.51 1h7x n GLN 703 Cb 0.63 -1.41 0.08 0.00 1.02 0.00 0.00 30.24 30.56 1h7x n GLN 703 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1h7x s ILE 704 N -2.94 3.44 0.60 5.09 -4.36 -1.26 -5.00 121.20 116.78 1h7x s ILE 704 Ca -0.07 0.47 -0.16 0.00 -0.26 0.00 0.00 60.65 60.63 1h7x s ILE 704 Cb 0.09 -3.04 -0.03 0.00 1.25 0.00 0.00 42.46 40.73 1h7x s ILE 704 CO 0.69 -0.61 1.09 -2.16 0.24 0.00 0.00 174.94 174.19 1h7x s PRO 705 N -4.96 3.15 0.01 0.37 0.04 -1.26 -4.88 135.00 127.47 1h7x s PRO 705 Ca 0.60 1.37 -0.06 0.00 0.04 0.00 0.00 61.00 62.95 1h7x s PRO 705 Cb -0.16 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.38 1h7x s PRO 705 CO 0.56 -0.97 0.11 -0.59 0.04 0.00 0.00 177.00 176.15 1h7x s PHE 706 N -2.24 0.08 -0.02 0.56 -0.12 -1.26 -1.62 117.98 113.36 1h7x s PHE 706 Ca 0.67 -0.22 0.06 0.00 -0.05 0.00 0.00 56.93 57.39 1h7x s PHE 706 Cb -0.19 -0.07 -0.01 0.00 -0.63 0.00 0.00 43.02 42.11 1h7x s PHE 706 CO 0.36 -0.28 -0.19 -0.06 -0.05 0.00 0.00 175.22 175.00 1h7x s PHE 707 N -1.45 1.73 -0.19 3.49 0.08 0.44 -1.23 117.98 120.84 1h7x s PHE 707 Ca -0.15 -0.33 -0.20 0.00 0.12 0.00 0.00 56.93 56.38 1h7x s PHE 707 Cb -0.08 -1.11 -0.03 0.00 -0.57 0.00 0.00 43.02 41.23 1h7x s PHE 707 CO 0.01 -0.03 0.57 0.00 -0.10 0.00 0.00 175.22 175.67 1h7x s ALA 708 N -0.44 3.53 -0.34 5.36 0.00 -1.00 -0.01 121.76 128.87 1h7x s ALA 708 Ca 0.07 -0.32 -0.23 0.00 0.00 0.00 0.00 51.96 51.49 1h7x s ALA 708 Cb -0.08 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1h7x s ALA 708 CO -0.01 -0.46 0.76 0.21 0.00 0.00 0.00 175.76 176.26 1h7x s LYS 709 N 1.68 3.84 0.23 0.00 2.20 -0.19 -1.03 119.74 126.48 1h7x s LYS 709 Ca 0.27 0.39 -0.14 0.00 -0.36 0.00 0.00 55.97 56.14 1h7x s LYS 709 Cb -0.16 -3.77 -0.08 0.00 -1.51 0.00 0.00 37.83 32.31 1h7x s LYS 709 CO 0.10 -0.75 0.62 -0.51 -0.36 0.00 0.00 175.35 174.45 1h7x s LEU 710 N 2.98 4.20 0.02 5.43 1.43 -0.00 -4.01 118.68 128.73 1h7x s LEU 710 Ca 0.31 1.12 -0.09 0.00 -1.03 0.00 0.00 54.13 54.44 1h7x s LEU 710 Cb -0.14 -3.68 -0.05 0.00 0.03 0.00 0.00 46.19 42.35 1h7x s LEU 710 CO 0.15 -0.05 0.33 0.28 0.23 0.00 0.00 176.35 177.28 1h7x s THR 711 N -1.74 5.20 -1.29 5.49 -1.32 -1.26 -0.68 115.64 120.05 1h7x s THR 711 Ca 0.46 0.39 0.28 0.00 -1.21 0.00 0.00 61.69 61.62 1h7x s THR 711 Cb -0.13 -3.60 0.31 0.00 -1.51 0.00 0.00 72.50 67.57 1h7x s THR 711 CO 0.20 0.40 1.82 -0.81 -2.21 0.00 0.00 174.62 174.02 1h7x n PRO 712 N 1.26 0.30 -1.24 7.08 -0.04 -1.26 -4.39 135.00 136.72 1h7x n PRO 712 Ca -0.11 -0.09 -0.31 0.00 -0.04 0.00 0.00 63.50 62.95 1h7x n PRO 712 Cb 0.53 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 1h7x n PRO 712 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1h7x n ASN 713 N -1.27 7.70 -3.88 3.54 3.02 -1.26 -4.82 115.26 118.29 1h7x n ASN 713 Ca 0.10 -2.57 -0.10 0.00 -0.03 0.00 0.00 54.58 51.99 1h7x n ASN 713 Cb 0.30 -1.51 -0.08 0.00 -0.61 0.00 0.00 39.78 37.88 1h7x n ASN 713 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1h7x s VAL 714 N 1.69 0.13 0.11 2.41 -7.23 -1.26 -4.95 120.40 111.30 1h7x s VAL 714 Ca 0.69 -1.05 -0.16 0.00 -1.81 0.00 0.00 61.98 59.64 1h7x s VAL 714 Cb 0.22 -1.04 -0.05 0.00 0.56 0.00 0.00 36.38 36.08 1h7x s VAL 714 CO -0.05 -0.58 1.56 0.74 -0.31 0.00 0.00 175.10 176.46 1h7x h THR 715 N 3.32 1.25 -2.95 5.32 2.02 -1.95 -3.40 112.91 116.53 1h7x h THR 715 Ca -0.33 -0.94 -0.59 0.00 0.77 0.00 0.00 66.41 65.32 1h7x h THR 715 Cb 1.19 1.21 -0.40 0.00 -1.74 0.00 0.00 68.15 68.41 1h7x h THR 715 CO 0.51 0.31 -0.76 -0.62 0.37 0.00 0.00 175.52 175.33 1h7x s ASP 716 N -6.07 3.63 0.47 4.18 2.15 -1.26 -4.98 116.67 114.78 1h7x s ASP 716 Ca -0.13 -2.22 0.20 0.00 0.43 0.00 0.00 52.55 50.84 1h7x s ASP 716 Cb 0.09 -0.85 1.15 0.00 -0.30 0.00 0.00 42.92 43.02 1h7x s ASP 716 CO 0.77 -0.32 1.99 -0.29 -0.17 0.00 0.00 175.17 177.15 1h7x h ILE 717 N 5.60 0.87 -0.80 4.11 2.10 -1.92 -2.61 117.51 124.86 1h7x h ILE 717 Ca -0.04 -0.73 -0.01 0.00 1.08 0.00 0.00 64.86 65.16 1h7x h ILE 717 Cb 0.96 1.43 -0.04 0.00 -1.09 0.00 0.00 36.82 38.08 1h7x h ILE 717 CO 0.44 0.19 0.45 0.58 -1.08 0.00 0.00 178.15 178.72 1h7x h VAL 718 N 0.00 1.23 -0.33 2.19 2.07 -1.93 -1.24 116.25 118.24 1h7x h VAL 718 Ca -0.00 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 1h7x h VAL 718 Cb 0.41 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1h7x h VAL 718 CO 0.03 0.26 0.06 0.77 0.02 0.00 0.00 177.57 178.70 1h7x h SER 719 N 1.12 0.44 -0.13 0.57 4.64 -1.90 0.12 113.55 118.42 1h7x h SER 719 Ca 0.28 -0.06 -0.17 0.00 -0.47 0.00 0.00 61.79 61.37 1h7x h SER 719 Cb 0.02 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1h7x h SER 719 CO -0.05 0.47 -0.57 0.40 -0.87 0.00 0.00 176.83 176.21 1h7x h ILE 720 N 0.48 1.34 -0.47 0.95 1.08 -1.44 -1.89 117.51 117.56 1h7x h ILE 720 Ca 0.11 -1.85 -0.01 0.00 -0.39 0.00 0.00 64.86 62.72 1h7x h ILE 720 Cb 0.22 2.10 -0.02 0.00 -3.07 0.00 0.00 36.82 36.04 1h7x h ILE 720 CO -0.00 0.57 0.24 0.00 -0.69 0.00 0.00 178.15 178.27 1h7x h ALA 721 N 0.51 0.60 -0.68 1.87 0.00 -0.79 -1.06 119.26 119.70 1h7x h ALA 721 Ca -0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1h7x h ALA 721 Cb 1.21 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1h7x h ALA 721 CO 0.12 0.14 0.28 -0.09 0.00 0.00 0.00 179.25 179.70 1h7x h ARG 722 N 0.61 0.99 -0.66 0.00 2.43 -0.77 -1.15 114.38 115.84 1h7x h ARG 722 Ca 0.16 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1h7x h ARG 722 Cb 0.08 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1h7x h ARG 722 CO -0.02 0.80 0.22 0.00 -1.51 0.00 0.00 179.97 179.46 1h7x h ALA 723 N 1.33 0.86 -0.40 2.80 0.00 -0.87 0.37 119.26 123.34 1h7x h ALA 723 Ca 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1h7x h ALA 723 Cb 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1h7x h ALA 723 CO -0.02 0.52 0.22 0.00 0.00 0.00 0.00 179.25 179.96 1h7x h ALA 724 N 1.09 0.51 -0.36 0.00 0.00 -0.68 0.12 119.26 119.94 1h7x h ALA 724 Ca 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1h7x h ALA 724 Cb 0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1h7x h ALA 724 CO -0.01 0.04 0.20 -0.22 0.00 0.00 0.00 179.25 179.26 1h7x h LYS 725 N 0.52 0.50 0.00 0.00 3.64 -0.89 -0.96 116.57 119.38 1h7x h LYS 725 Ca 0.14 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1h7x h LYS 725 Cb 0.06 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1h7x h LYS 725 CO -0.02 0.41 -0.19 0.93 -2.27 0.00 0.00 179.45 178.32 1h7x h GLU 726 N 0.46 0.00 0.00 1.90 5.08 -0.67 -1.86 114.58 119.49 1h7x h GLU 726 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1h7x h GLU 726 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1h7x h GLU 726 CO -0.02 0.19 0.00 0.41 -1.00 0.00 0.00 179.01 178.59 1h7x n GLY 727 N -0.99 -1.55 0.00 -3.84 0.00 0.01 -4.91 105.19 93.90 1h7x n GLY 727 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1h7x n GLY 727 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h7x n GLY 728 N 0.98 0.99 3.75 -0.02 0.00 -0.70 -2.61 105.19 107.58 1h7x n GLY 728 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1h7x n GLY 728 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h7x s ALA 729 N -2.00 2.74 -1.58 4.61 0.00 -0.43 -4.90 121.76 120.20 1h7x s ALA 729 Ca 0.00 1.20 0.27 0.00 0.00 0.00 0.00 51.96 53.43 1h7x s ALA 729 Cb 0.00 -3.52 0.87 0.00 0.00 0.00 0.00 23.12 20.48 1h7x s ALA 729 CO 0.00 -1.26 1.64 -0.25 0.00 0.00 0.00 175.76 175.90 1h7x n ASP 730 N -1.14 0.74 0.00 0.00 8.00 -0.37 -4.64 116.55 119.14 1h7x n ASP 730 Ca 0.11 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.96 1h7x n ASP 730 Cb 0.47 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1h7x n ASP 730 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h7x n GLY 731 N 1.35 -1.73 3.04 0.44 0.00 -1.24 -4.22 105.19 102.83 1h7x n GLY 731 Ca 0.12 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 1h7x n GLY 731 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1h7x s VAL 732 N -2.39 0.35 -0.23 1.61 -7.23 -0.67 -2.37 120.40 109.48 1h7x s VAL 732 Ca 0.00 -1.10 -0.08 0.00 -1.81 0.00 0.00 61.98 58.99 1h7x s VAL 732 Cb 0.00 -0.58 -0.03 0.00 0.56 0.00 0.00 36.38 36.32 1h7x s VAL 732 CO 0.00 -0.50 0.08 -0.89 -0.31 0.00 0.00 175.10 173.48 1h7x s THR 733 N -1.70 4.55 -0.15 5.32 2.01 -0.20 -1.02 115.64 124.46 1h7x s THR 733 Ca -0.10 -0.10 -0.00 0.00 0.31 0.00 0.00 61.69 61.79 1h7x s THR 733 Cb -0.08 -3.11 0.04 0.00 0.01 0.00 0.00 72.50 69.36 1h7x s THR 733 CO -0.01 0.37 -0.06 0.00 -0.69 0.00 0.00 174.62 174.22 1h7x s ALA 734 N 1.25 1.42 0.31 7.40 0.00 -0.10 -0.82 121.76 131.22 1h7x s ALA 734 Ca 0.05 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.31 1h7x s ALA 734 Cb -0.14 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 1h7x s ALA 734 CO 0.04 -0.65 0.31 0.95 0.00 0.00 0.00 175.76 176.41 1h7x s THR 735 N 1.66 0.00 0.00 0.00 -4.23 -0.37 -0.80 115.64 111.91 1h7x s THR 735 Ca 0.02 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 1h7x s THR 735 Cb -0.14 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.17 1h7x s THR 735 CO -0.08 0.00 0.00 -3.20 -0.54 0.00 0.00 174.62 170.80 1h7x n ASN 736 N -1.22 -0.11 -4.78 3.99 2.85 0.15 -4.55 115.26 111.58 1h7x n ASN 736 Ca 0.04 -0.94 -0.31 0.00 -0.11 0.00 0.00 54.58 53.26 1h7x n ASN 736 Cb 0.63 0.00 0.07 0.00 1.24 0.00 0.00 39.78 41.72 1h7x n ASN 736 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1h7x s THR 737 N -0.99 3.54 -0.12 -0.44 -4.23 -1.26 -4.49 115.64 107.65 1h7x s THR 737 Ca 0.00 0.54 -0.16 0.00 -1.18 0.00 0.00 61.69 60.89 1h7x s THR 737 Cb 0.00 -3.10 -0.05 0.00 1.34 0.00 0.00 72.50 70.69 1h7x s THR 737 CO 0.00 -0.62 0.40 -0.69 -0.54 0.00 0.00 174.62 173.17 1h7x s VAL 738 N -2.85 5.21 0.18 2.29 1.01 -0.84 -4.48 120.40 120.93 1h7x s VAL 738 Ca 0.61 0.78 -0.30 0.00 0.00 0.00 0.00 61.98 63.07 1h7x s VAL 738 Cb -0.17 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 1h7x s VAL 738 CO 0.53 0.39 1.37 -0.55 0.00 0.00 0.00 175.10 176.84 1h7x s SER 739 N 0.30 6.82 0.18 3.32 0.15 -1.26 0.78 113.70 123.99 1h7x s SER 739 Ca 0.22 2.43 -0.22 0.00 0.70 0.00 0.00 55.95 59.08 1h7x s SER 739 Cb -0.15 -2.60 0.08 0.00 -1.71 0.00 0.00 66.02 61.64 1h7x s SER 739 CO 0.08 -0.61 1.05 -0.83 1.20 0.00 0.00 173.24 174.13 1h7x s GLY 740 N 0.63 0.14 -0.15 9.45 0.00 -0.22 -4.87 107.32 112.30 1h7x s GLY 740 Ca 0.60 -0.38 -0.01 0.00 0.00 0.00 0.00 44.72 44.94 1h7x s GLY 740 CO 0.36 2.83 -0.05 -2.27 0.00 0.00 0.00 173.10 173.97 1h7x s LEU 741 N -3.47 1.42 0.36 0.66 2.96 -1.26 -1.50 118.68 117.85 1h7x s LEU 741 Ca 0.23 -0.54 0.13 0.00 -0.22 0.00 0.00 54.13 53.73 1h7x s LEU 741 Cb -0.03 -0.85 0.70 0.00 0.50 0.00 0.00 46.19 46.51 1h7x s LEU 741 CO 0.05 -0.17 1.80 -0.03 -1.32 0.00 0.00 176.35 176.69 1h7x h MET 742 N 8.15 0.00 0.00 1.98 1.85 -1.97 -3.49 114.93 121.46 1h7x h MET 742 Ca -0.25 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.84 1h7x h MET 742 Cb 1.12 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.15 1h7x h MET 742 CO 0.39 0.39 0.00 0.41 -0.40 0.00 0.00 176.91 177.71 1h7x n GLY 743 N -0.35 0.21 3.13 1.39 0.00 -1.26 -4.66 105.19 103.65 1h7x n GLY 743 Ca -0.02 -1.35 -0.14 0.00 0.00 0.00 0.00 46.02 44.52 1h7x n GLY 743 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h7x s LEU 744 N 0.00 2.35 0.81 0.99 1.43 -1.26 -3.35 118.68 119.66 1h7x s LEU 744 Ca 0.00 -0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 52.25 1h7x s LEU 744 Cb 0.00 -0.24 0.08 0.00 0.03 0.00 0.00 46.19 46.06 1h7x s LEU 744 CO 0.00 -0.25 1.18 -0.54 0.23 0.00 0.00 176.35 176.96 1h7x s LYS 745 N -2.40 1.95 0.60 1.70 1.02 0.73 -4.90 119.74 118.44 1h7x s LYS 745 Ca 0.00 0.09 0.34 0.00 0.02 0.00 0.00 55.97 56.43 1h7x s LYS 745 Cb -0.05 -1.96 1.91 0.00 -0.52 0.00 0.00 37.83 37.22 1h7x s LYS 745 CO -0.00 -1.60 2.24 0.00 -0.92 0.00 0.00 175.35 175.07 1h7x h ALA 746 N -1.05 1.27 -0.04 5.17 0.00 -2.02 -0.45 119.26 122.14 1h7x h ALA 746 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1h7x h ALA 746 Cb 1.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1h7x h ALA 746 CO 0.66 0.03 0.00 -0.40 0.00 0.00 0.00 179.25 179.54 1h7x n ASP 747 N -3.51 0.96 0.00 0.00 5.68 -1.26 -4.92 116.55 113.49 1h7x n ASP 747 Ca -0.03 -1.42 0.00 0.00 -0.50 0.00 0.00 54.79 52.85 1h7x n ASP 747 Cb 0.13 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 1h7x n ASP 747 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h7x n GLY 748 N 1.07 0.73 3.79 6.12 0.00 -0.18 -5.06 105.19 111.66 1h7x n GLY 748 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1h7x n GLY 748 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h7x s THR 749 N -2.26 3.99 0.75 2.61 -4.23 -1.26 -4.72 115.64 110.52 1h7x s THR 749 Ca 0.00 1.42 -0.08 0.00 -1.18 0.00 0.00 61.69 61.85 1h7x s THR 749 Cb 0.00 -3.69 0.09 0.00 1.34 0.00 0.00 72.50 70.24 1h7x s THR 749 CO 0.00 -0.09 1.07 -2.16 -0.54 0.00 0.00 174.62 172.91 1h7x s PRO 750 N -2.70 1.93 -0.17 3.99 0.04 -1.26 -0.19 135.00 136.63 1h7x s PRO 750 Ca 0.59 -0.31 -0.05 0.00 0.04 0.00 0.00 61.00 61.27 1h7x s PRO 750 Cb -0.17 -2.12 0.08 0.00 0.04 0.00 0.00 34.50 32.33 1h7x s PRO 750 CO 0.22 -1.45 0.32 -0.46 0.04 0.00 0.00 177.00 175.68 1h7x s TRP 751 N -3.36 -0.58 0.53 0.56 -0.11 -1.21 -3.53 118.94 111.24 1h7x s TRP 751 Ca 0.63 1.09 -0.21 0.00 1.22 0.00 0.00 56.10 58.82 1h7x s TRP 751 Cb -0.09 0.06 -0.05 0.00 -1.50 0.00 0.00 33.47 31.88 1h7x s TRP 751 CO 0.46 -0.46 1.26 -1.25 -4.62 0.00 0.00 176.95 172.35 1h7x s PRO 752 N 2.49 3.27 -0.15 5.86 0.04 -1.26 -4.44 135.00 140.81 1h7x s PRO 752 Ca 0.02 1.99 0.02 0.00 0.04 0.00 0.00 61.00 63.07 1h7x s PRO 752 Cb -0.13 -2.21 0.01 0.00 0.04 0.00 0.00 34.50 32.22 1h7x s PRO 752 CO -0.11 -1.01 -0.21 0.00 0.04 0.00 0.00 177.00 175.71 1h7x s ALA 753 N -1.45 2.30 -0.09 8.56 0.00 -1.23 -4.49 121.76 125.35 1h7x s ALA 753 Ca 0.71 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.59 1h7x s ALA 753 Cb -0.34 -1.05 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 1h7x s ALA 753 CO 0.40 -0.05 -0.12 0.08 0.00 0.00 0.00 175.76 176.06 1h7x s VAL 754 N 0.85 3.21 0.12 0.00 1.01 0.20 -4.36 120.40 121.42 1h7x s VAL 754 Ca -0.06 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1h7x s VAL 754 Cb -0.15 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.91 1h7x s VAL 754 CO -0.02 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1h7x n GLY 755 N 2.88 -2.08 0.29 4.51 0.00 -1.26 -1.47 105.19 108.07 1h7x n GLY 755 Ca -0.18 -1.38 0.04 0.00 0.00 0.00 0.00 46.02 44.50 1h7x n GLY 755 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h7x h ALA 756 N -0.50 1.67 0.00 4.61 0.00 -2.00 -1.62 119.26 121.42 1h7x h ALA 756 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1h7x h ALA 756 Cb 0.45 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1h7x h ALA 756 CO 0.00 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.94 1h7x n GLY 757 N -1.35 -1.02 3.84 0.00 0.00 -1.26 -4.91 105.19 100.48 1h7x n GLY 757 Ca 0.02 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 1h7x n GLY 757 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1h7x n LYS 758 N -1.04 -4.22 -2.61 1.61 5.02 -0.61 -4.96 118.16 111.35 1h7x n LYS 758 Ca 0.22 0.52 -0.24 0.00 -2.02 0.00 0.00 58.31 56.79 1h7x n LYS 758 Cb 0.13 -4.92 0.03 0.00 -0.02 0.00 0.00 35.03 30.25 1h7x n LYS 758 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1h7x s ARG 759 N -6.29 2.77 0.33 1.97 0.52 -0.54 -4.47 118.95 113.23 1h7x s ARG 759 Ca 0.07 -0.38 -0.16 0.00 -0.52 0.00 0.00 55.73 54.74 1h7x s ARG 759 Cb -0.03 -2.40 0.03 0.00 0.52 0.00 0.00 34.95 33.07 1h7x s ARG 759 CO 0.85 -0.65 0.69 -0.08 0.02 0.00 0.00 175.30 176.13 1h7x s THR 760 N -2.83 0.00 0.14 0.02 -1.32 -1.26 0.58 115.64 110.96 1h7x s THR 760 Ca 0.54 -1.12 -0.08 0.00 -1.21 0.00 0.00 61.69 59.82 1h7x s THR 760 Cb -0.10 -2.47 -0.01 0.00 -1.51 0.00 0.00 72.50 68.41 1h7x s THR 760 CO 0.41 0.00 0.23 0.28 -2.21 0.00 0.00 174.62 173.33 1h7x s THR 761 N -3.16 0.10 0.31 5.08 -1.32 -1.26 -5.07 115.64 110.31 1h7x s THR 761 Ca 0.16 -1.38 -0.29 0.00 -1.21 0.00 0.00 61.69 58.97 1h7x s THR 761 Cb -0.04 -1.70 -0.12 0.00 -1.51 0.00 0.00 72.50 69.13 1h7x s THR 761 CO 0.11 -0.43 1.47 -1.22 -2.21 0.00 0.00 174.62 172.33 1h7x n TYR 762 N -0.15 2.62 -4.34 9.09 4.01 -1.26 -4.98 117.16 122.15 1h7x n TYR 762 Ca -0.10 0.39 -0.25 0.00 -0.16 0.00 0.00 57.90 57.79 1h7x n TYR 762 Cb 0.63 -2.52 -0.04 0.00 -0.31 0.00 0.00 39.34 37.11 1h7x n TYR 762 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1h7x n GLY 763 N 1.52 3.38 3.59 2.72 0.00 -0.56 -4.91 105.19 110.93 1h7x n GLY 763 Ca 0.07 -2.32 -0.34 0.00 0.00 0.00 0.00 46.02 43.43 1h7x n GLY 763 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h7x s GLY 764 N -3.41 1.85 -0.05 -0.02 0.00 -0.07 -1.06 107.32 104.56 1h7x s GLY 764 Ca 0.09 -0.79 -0.19 0.00 0.00 0.00 0.00 44.72 43.82 1h7x s GLY 764 CO 0.05 0.06 0.55 0.14 0.00 0.00 0.00 173.10 173.90 1h7x s VAL 765 N 0.45 5.03 0.34 1.40 1.01 0.23 -1.80 120.40 127.06 1h7x s VAL 765 Ca 0.01 1.12 0.03 0.00 0.00 0.00 0.00 61.98 63.15 1h7x s VAL 765 Cb -0.13 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 1h7x s VAL 765 CO 0.01 0.39 0.09 -0.94 0.00 0.00 0.00 175.10 174.65 1h7x s SER 766 N 0.10 2.22 0.00 3.32 1.04 -0.30 -1.98 113.70 118.10 1h7x s SER 766 Ca 0.29 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 55.24 1h7x s SER 766 Cb -0.17 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1h7x s SER 766 CO 0.15 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1h7x n GLY 767 N -0.71 -2.81 0.31 7.32 0.00 -1.26 -2.17 105.19 105.87 1h7x n GLY 767 Ca -0.03 -2.11 0.14 0.00 0.00 0.00 0.00 46.02 44.03 1h7x n GLY 767 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1h7x h THR 768 N 0.00 0.69 0.00 2.61 1.35 -1.73 -1.90 112.91 113.93 1h7x h THR 768 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 1h7x h THR 768 Cb 0.00 0.91 -0.00 0.00 -1.73 0.00 0.00 68.15 67.33 1h7x h THR 768 CO 0.00 0.00 -0.05 0.00 -0.25 0.00 0.00 175.52 175.22 1h7x h ALA 769 N 1.89 1.60 -0.34 6.62 0.00 -1.21 -2.19 119.26 125.62 1h7x h ALA 769 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1h7x h ALA 769 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1h7x h ALA 769 CO -0.00 0.06 0.00 0.44 0.00 0.00 0.00 179.25 179.75 1h7x n ILE 770 N -4.01 0.50 -0.36 0.00 -5.35 -0.72 -4.55 119.36 104.86 1h7x n ILE 770 Ca -0.03 -0.75 0.04 0.00 -0.27 0.00 0.00 62.75 61.74 1h7x n ILE 770 Cb 0.13 0.97 0.20 0.00 -1.74 0.00 0.00 39.64 39.20 1h7x n ILE 770 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1h7x h ARG 771 N 3.99 1.07 -0.49 6.28 2.43 -1.41 -1.49 114.38 124.76 1h7x h ARG 771 Ca 0.00 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1h7x h ARG 771 Cb 0.91 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 1h7x h ARG 771 CO 0.00 0.71 0.28 -1.35 -1.51 0.00 0.00 179.97 178.10 1h7x h PRO 772 N 1.10 0.66 -0.21 0.20 0.11 -1.80 0.28 132.00 132.33 1h7x h PRO 772 Ca 0.45 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.37 1h7x h PRO 772 Cb 0.28 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.26 1h7x h PRO 772 CO -0.21 0.47 -0.39 0.82 -0.21 0.00 0.00 178.00 178.48 1h7x h ILE 773 N 0.67 1.32 -0.38 4.15 2.04 -1.63 -2.05 117.51 121.63 1h7x h ILE 773 Ca 0.18 -1.61 -0.16 0.00 1.00 0.00 0.00 64.86 64.27 1h7x h ILE 773 Cb -0.01 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1h7x h ILE 773 CO -0.03 0.50 -0.38 0.00 0.00 0.00 0.00 178.15 178.24 1h7x h ALA 774 N 0.62 0.55 -0.81 1.87 0.00 -0.84 -1.54 119.26 119.11 1h7x h ALA 774 Ca 0.01 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1h7x h ALA 774 Cb 0.99 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1h7x h ALA 774 CO 0.09 0.66 0.37 -0.07 0.00 0.00 0.00 179.25 180.29 1h7x h LEU 775 N 0.74 1.07 -0.34 0.00 3.38 -0.48 0.35 115.31 120.03 1h7x h LEU 775 Ca 0.06 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1h7x h LEU 775 Cb 0.98 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1h7x h LEU 775 CO 0.09 0.91 0.08 -0.09 0.09 0.00 0.00 178.44 179.52 1h7x h ARG 776 N 1.15 0.56 -0.23 1.13 2.43 -1.23 -1.64 114.38 116.54 1h7x h ARG 776 Ca 0.27 -0.14 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1h7x h ARG 776 Cb 0.14 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1h7x h ARG 776 CO -0.03 0.62 0.14 0.00 -1.51 0.00 0.00 179.97 179.19 1h7x h ALA 777 N 0.92 0.29 -0.28 2.80 0.00 -0.79 -0.38 119.26 121.82 1h7x h ALA 777 Ca 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1h7x h ALA 777 Cb 0.31 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1h7x h ALA 777 CO 0.00 -0.25 0.13 0.28 0.00 0.00 0.00 179.25 179.41 1h7x h VAL 778 N 0.29 1.15 -0.60 0.00 2.07 -0.88 -2.19 116.25 116.10 1h7x h VAL 778 Ca 0.09 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 1h7x h VAL 778 Cb -0.02 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1h7x h VAL 778 CO -0.03 0.16 0.07 0.71 0.02 0.00 0.00 177.57 178.49 1h7x h THR 779 N 0.31 1.26 -0.39 2.57 1.35 -1.15 -0.82 112.91 116.05 1h7x h THR 779 Ca 0.09 -1.05 -0.10 0.00 -0.55 0.00 0.00 66.41 64.80 1h7x h THR 779 Cb 0.13 0.76 -0.02 0.00 -1.73 0.00 0.00 68.15 67.29 1h7x h THR 779 CO -0.01 0.39 -0.17 0.00 -0.25 0.00 0.00 175.52 175.48 1h7x h THR 780 N 0.92 1.26 -0.21 6.82 1.03 -1.01 -1.35 112.91 120.37 1h7x h THR 780 Ca 0.18 -1.23 -0.11 0.00 -0.01 0.00 0.00 66.41 65.23 1h7x h THR 780 Cb 0.47 1.15 -0.00 0.00 -1.07 0.00 0.00 68.15 68.70 1h7x h THR 780 CO 0.02 0.41 -0.32 0.40 -0.01 0.00 0.00 175.52 176.02 1h7x h ILE 781 N 0.64 1.33 -0.74 0.00 2.04 -1.28 -1.73 117.51 117.76 1h7x h ILE 781 Ca 0.10 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.44 1h7x h ILE 781 Cb 0.65 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.49 1h7x h ILE 781 CO 0.05 0.47 0.47 0.00 0.00 0.00 0.00 178.15 179.14 1h7x h ALA 782 N 0.62 1.43 -0.06 1.87 0.00 -0.98 0.23 119.26 122.37 1h7x h ALA 782 Ca 0.02 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 1h7x h ALA 782 Cb 0.90 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1h7x h ALA 782 CO 0.07 0.51 -0.84 0.00 0.00 0.00 0.00 179.25 178.99 1h7x h ARG 783 N 1.02 0.54 -0.01 0.00 3.08 -1.19 -3.05 114.38 114.76 1h7x h ARG 783 Ca 0.27 -0.49 -0.23 0.00 0.07 0.00 0.00 59.98 59.59 1h7x h ARG 783 Cb -0.08 0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.10 1h7x h ARG 783 CO -0.05 1.12 -0.95 0.00 -1.07 0.00 0.00 179.97 179.02 1h7x h ALA 784 N 0.72 0.32 -2.29 0.04 0.00 -0.85 -3.38 119.26 113.83 1h7x h ALA 784 Ca -0.06 -0.70 -0.60 0.00 0.00 0.00 0.00 54.91 53.55 1h7x h ALA 784 Cb 1.46 -0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.83 1h7x h ALA 784 CO 0.15 0.78 -0.69 1.28 0.00 0.00 0.00 179.25 180.77 1h7x n LEU 785 N -3.78 2.88 -4.64 0.00 4.77 0.78 -5.09 117.00 111.92 1h7x n LEU 785 Ca -0.08 -5.24 -0.51 0.00 -0.03 0.00 0.00 56.01 50.15 1h7x n LEU 785 Cb 0.84 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 41.46 1h7x n LEU 785 CO 0.52 2.01 1.10 -2.65 -1.33 0.00 0.00 177.39 177.04 1h7x n PRO 786 N 1.18 1.47 0.00 3.23 -0.02 -1.15 -1.65 135.00 138.05 1h7x n PRO 786 Ca 0.27 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1h7x n PRO 786 Cb 0.42 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1h7x n PRO 786 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h7x n GLY 787 N 3.19 2.38 3.66 -1.23 0.00 -1.26 -5.01 105.19 106.91 1h7x n GLY 787 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1h7x n GLY 787 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1h7x s PHE 788 N -2.47 2.58 0.20 1.61 5.36 -0.66 -4.94 117.98 119.66 1h7x s PHE 788 Ca 0.00 0.77 -0.32 0.00 -0.96 0.00 0.00 56.93 56.41 1h7x s PHE 788 Cb 0.00 -3.64 -0.14 0.00 -0.34 0.00 0.00 43.02 38.89 1h7x s PHE 788 CO 0.00 -2.32 1.34 -2.30 -1.46 0.00 0.00 175.22 170.47 1h7x n PRO 789 N 6.80 1.70 -4.47 10.12 -0.02 -1.26 -4.90 135.00 142.97 1h7x n PRO 789 Ca 0.15 0.61 -0.24 0.00 -2.02 0.00 0.00 63.50 62.00 1h7x n PRO 789 Cb 0.44 -2.22 -0.17 0.00 -0.02 0.00 0.00 33.50 31.54 1h7x n PRO 789 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1h7x s ILE 790 N 0.01 1.03 -0.27 4.25 1.01 -1.26 -1.66 121.20 124.31 1h7x s ILE 790 Ca 0.72 -0.41 -0.09 0.00 0.00 0.00 0.00 60.65 60.87 1h7x s ILE 790 Cb -0.74 -0.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 1h7x s ILE 790 CO 0.49 0.33 0.12 -0.76 0.00 0.00 0.00 174.94 175.13 1h7x s LEU 791 N 0.77 3.73 0.27 2.97 1.02 -0.19 -1.27 118.68 125.97 1h7x s LEU 791 Ca -0.13 -0.20 -0.21 0.00 0.02 0.00 0.00 54.13 53.60 1h7x s LEU 791 Cb -0.15 -2.00 -0.09 0.00 0.02 0.00 0.00 46.19 43.97 1h7x s LEU 791 CO 0.02 -0.07 0.80 0.00 0.02 0.00 0.00 176.35 177.12 1h7x s ALA 792 N 1.66 3.33 -0.22 4.21 0.00 -0.57 -0.92 121.76 129.26 1h7x s ALA 792 Ca 0.06 0.27 -0.11 0.00 0.00 0.00 0.00 51.96 52.18 1h7x s ALA 792 Cb -0.16 -2.93 0.07 0.00 0.00 0.00 0.00 23.12 20.10 1h7x s ALA 792 CO 0.06 0.28 0.52 0.99 0.00 0.00 0.00 175.76 177.60 1h7x s THR 793 N -1.61 -0.14 0.00 0.00 2.01 0.02 -0.13 115.64 115.79 1h7x s THR 793 Ca 0.47 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.53 1h7x s THR 793 Cb -0.16 -0.77 0.00 0.00 0.01 0.00 0.00 72.50 71.58 1h7x s THR 793 CO 0.21 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.78 1h7x n GLY 794 N 4.47 0.85 2.06 4.40 0.00 -1.26 -1.23 105.19 114.49 1h7x n GLY 794 Ca -0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.71 1h7x n GLY 794 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h7x n GLY 795 N 0.00 0.51 3.64 -0.02 0.00 -1.19 -4.04 105.19 104.09 1h7x n GLY 795 Ca 0.00 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 1h7x n GLY 795 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h7x s ILE 796 N -2.09 4.68 -0.01 -0.61 1.01 -1.26 -4.55 121.20 118.38 1h7x s ILE 796 Ca 0.00 1.68 0.07 0.00 0.00 0.00 0.00 60.65 62.39 1h7x s ILE 796 Cb 0.00 -4.27 0.11 0.00 0.01 0.00 0.00 42.46 38.31 1h7x s ILE 796 CO 0.00 -0.26 1.04 -0.90 0.00 0.00 0.00 174.94 174.82 1h7x n ASP 797 N 6.40 0.30 -3.61 3.58 5.75 -1.26 -4.50 116.55 123.22 1h7x n ASP 797 Ca 0.09 -2.04 0.01 0.00 -0.01 0.00 0.00 54.79 52.83 1h7x n ASP 797 Cb 0.47 -0.23 -0.01 0.00 -1.03 0.00 0.00 41.12 40.32 1h7x n ASP 797 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1h7x s SER 798 N -1.30 -0.06 0.22 -1.12 1.04 -1.26 -4.92 113.70 106.30 1h7x s SER 798 Ca 0.09 -0.08 -0.05 0.00 0.48 0.00 0.00 55.95 56.39 1h7x s SER 798 Cb 0.10 0.12 0.20 0.00 0.10 0.00 0.00 66.02 66.55 1h7x s SER 798 CO -0.04 -0.22 1.70 0.00 0.98 0.00 0.00 173.24 175.66 1h7x h ALA 799 N 2.00 0.96 -0.09 5.32 0.00 -1.83 -0.60 119.26 125.02 1h7x h ALA 799 Ca -0.25 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1h7x h ALA 799 Cb 1.19 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1h7x h ALA 799 CO 0.27 0.62 0.05 1.49 0.00 0.00 0.00 179.25 181.68 1h7x h GLU 800 N 0.84 0.12 -0.15 0.00 4.81 -1.90 0.17 114.58 118.49 1h7x h GLU 800 Ca 0.15 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.28 1h7x h GLU 800 Cb 0.53 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1h7x h GLU 800 CO 0.03 0.16 -0.32 0.66 -0.73 0.00 0.00 179.01 178.81 1h7x h SER 801 N 0.05 0.29 -0.59 1.04 4.64 -1.91 -2.27 113.55 114.81 1h7x h SER 801 Ca 0.03 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.21 1h7x h SER 801 Cb 0.07 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1h7x h SER 801 CO -0.01 0.61 0.24 1.23 -0.87 0.00 0.00 176.83 178.03 1h7x h GLY 802 N 1.09 0.94 2.00 -0.77 0.00 -0.59 -2.25 103.07 103.50 1h7x h GLY 802 Ca 0.03 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 1h7x h GLY 802 CO 0.05 0.48 -0.19 -2.00 0.00 0.00 0.00 176.54 174.88 1h7x h LEU 803 N 0.82 0.00 -0.63 3.11 5.85 -0.25 -1.90 115.31 122.30 1h7x h LEU 803 Ca 0.20 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1h7x h LEU 803 Cb 0.20 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1h7x h LEU 803 CO -0.02 0.19 0.26 1.56 -0.34 0.00 0.00 178.44 180.09 1h7x h GLN 804 N 0.00 0.93 -0.20 1.25 4.20 -0.85 -0.15 115.11 120.29 1h7x h GLN 804 Ca -0.00 -0.17 -0.15 0.00 0.06 0.00 0.00 58.65 58.40 1h7x h GLN 804 Cb 0.35 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1h7x h GLN 804 CO 0.03 0.78 -0.48 0.74 -0.67 0.00 0.00 178.83 179.23 1h7x h PHE 805 N 0.88 0.66 -0.38 2.96 0.04 -1.16 -1.66 116.94 118.27 1h7x h PHE 805 Ca 0.21 -0.21 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 1h7x h PHE 805 Cb 0.19 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 1h7x h PHE 805 CO 0.01 0.92 0.10 -0.07 -0.60 0.00 0.00 178.31 178.67 1h7x h LEU 806 N 0.43 0.56 -2.11 1.54 3.38 -1.10 -1.65 115.31 116.36 1h7x h LEU 806 Ca 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1h7x h LEU 806 Cb 1.00 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1h7x h LEU 806 CO 0.09 0.64 -0.04 0.45 0.09 0.00 0.00 178.44 179.67 1h7x h HIS 807 N 0.47 0.00 -0.00 1.13 3.86 -0.91 -0.35 115.15 119.34 1h7x h HIS 807 Ca 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1h7x h HIS 807 Cb 0.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 1h7x h HIS 807 CO 0.01 0.04 -0.08 0.43 0.86 0.00 0.00 177.93 179.19 1h7x n SER 808 N -4.17 0.23 0.00 2.45 7.64 -0.63 -1.61 113.62 117.52 1h7x n SER 808 Ca -0.03 -0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.63 1h7x n SER 808 Cb 0.12 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 1h7x n SER 808 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h7x n GLY 809 N 1.33 1.33 3.84 0.23 0.00 -0.54 -3.92 105.19 107.47 1h7x n GLY 809 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1h7x n GLY 809 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h7x s ALA 810 N -1.89 3.17 -0.23 4.61 0.00 -0.72 -4.49 121.76 122.21 1h7x s ALA 810 Ca 0.00 0.13 0.08 0.00 0.00 0.00 0.00 51.96 52.17 1h7x s ALA 810 Cb 0.00 -2.98 -0.19 0.00 0.00 0.00 0.00 23.12 19.95 1h7x s ALA 810 CO 0.00 0.01 -0.11 0.43 0.00 0.00 0.00 175.76 176.09 1h7x n SER 811 N -1.06 1.33 -4.32 0.00 7.64 -0.40 -4.27 113.62 112.54 1h7x n SER 811 Ca 0.05 -0.08 -0.17 0.00 1.01 0.00 0.00 58.87 59.68 1h7x n SER 811 Cb 0.54 0.14 -0.10 0.00 -1.01 0.00 0.00 64.21 63.78 1h7x n SER 811 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1h7x s VAL 812 N -2.49 1.28 -0.14 0.44 -7.23 -1.24 -4.85 120.40 106.16 1h7x s VAL 812 Ca -0.24 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 57.84 1h7x s VAL 812 Cb 0.08 -2.17 0.03 0.00 0.56 0.00 0.00 36.38 34.88 1h7x s VAL 812 CO 0.66 -0.49 -0.11 -0.76 -0.31 0.00 0.00 175.10 174.09 1h7x s LEU 813 N -3.29 1.56 0.02 1.32 1.43 0.22 -1.51 118.68 118.43 1h7x s LEU 813 Ca 0.24 -0.47 -0.12 0.00 -1.03 0.00 0.00 54.13 52.76 1h7x s LEU 813 Cb 0.03 -1.05 -0.05 0.00 0.03 0.00 0.00 46.19 45.15 1h7x s LEU 813 CO 0.06 -0.09 0.37 -1.10 0.23 0.00 0.00 176.35 175.82 1h7x s GLN 814 N 1.56 3.79 -0.01 1.70 -0.21 0.81 -0.81 119.66 126.49 1h7x s GLN 814 Ca 0.04 0.24 0.03 0.00 0.02 0.00 0.00 55.36 55.69 1h7x s GLN 814 Cb -0.13 -3.12 -0.00 0.00 1.00 0.00 0.00 33.01 30.75 1h7x s GLN 814 CO -0.09 0.65 -0.09 0.08 -2.12 0.00 0.00 175.29 173.71 1h7x s VAL 815 N -1.21 0.73 0.00 1.09 1.01 0.42 -4.44 120.40 118.00 1h7x s VAL 815 Ca 0.27 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1h7x s VAL 815 Cb -0.15 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.60 1h7x s VAL 815 CO 0.14 0.22 0.00 0.00 0.00 0.00 0.00 175.10 175.46 1h7x h SER 817 N 0.00 0.69 0.19 0.00 0.02 -1.96 0.42 113.55 112.91 1h7x h SER 817 Ca 0.00 0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 1h7x h SER 817 Cb 0.00 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1h7x h SER 817 CO 0.00 0.20 -0.17 0.00 -1.14 0.00 0.00 176.83 175.72 1h7x h ALA 818 N 1.67 1.66 0.17 3.77 0.00 -1.92 0.17 119.26 124.77 1h7x h ALA 818 Ca 0.60 -0.15 -0.30 0.00 0.00 0.00 0.00 54.91 55.05 1h7x h ALA 818 Cb 1.09 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1h7x h ALA 818 CO -0.39 0.21 -1.36 0.28 0.00 0.00 0.00 179.25 178.00 1h7x h VAL 819 N 0.00 1.39 -0.22 0.00 2.07 -1.24 -2.87 116.25 115.37 1h7x h VAL 819 Ca -0.00 -2.92 -0.03 0.00 0.82 0.00 0.00 66.70 64.57 1h7x h VAL 819 Cb 0.31 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 1h7x h VAL 819 CO 0.02 0.86 0.02 1.56 0.02 0.00 0.00 177.57 180.05 1h7x h GLN 820 N 0.10 0.32 0.00 1.57 4.20 -0.58 -0.25 115.11 120.46 1h7x h GLN 820 Ca -0.19 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1h7x h GLN 820 Cb 2.04 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.76 1h7x h GLN 820 CO 0.22 0.34 0.00 0.09 -0.67 0.00 0.00 178.83 178.81 1h7x n ASN 821 N -4.37 0.34 0.00 1.46 3.02 -0.02 -4.87 115.26 110.82 1h7x n ASN 821 Ca 0.00 0.54 0.00 0.00 -0.03 0.00 0.00 54.58 55.09 1h7x n ASN 821 Cb 0.18 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 1h7x n ASN 821 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1h7x n GLN 822 N -1.83 0.00 -3.90 3.52 -0.06 -0.13 -4.59 117.38 110.39 1h7x n GLN 822 Ca 0.06 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 55.05 1h7x n GLN 822 Cb 0.36 0.00 0.02 0.00 -4.06 0.00 0.00 30.24 26.56 1h7x n GLN 822 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 1h7x s ASP 823 N 1.30 -0.00 0.57 1.69 1.47 -1.07 -4.96 116.67 115.67 1h7x s ASP 823 Ca 0.00 -0.54 0.31 0.00 1.18 0.00 0.00 52.55 53.50 1h7x s ASP 823 Cb 0.00 0.40 1.73 0.00 -0.34 0.00 0.00 42.92 44.71 1h7x s ASP 823 CO 0.00 -0.80 2.19 -0.26 0.68 0.00 0.00 175.17 176.98 1h7x h PHE 824 N 2.00 0.00 0.00 2.11 0.04 -1.96 -3.05 116.94 116.08 1h7x h PHE 824 Ca -0.26 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.51 1h7x h PHE 824 Cb 1.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.36 1h7x h PHE 824 CO 1.32 0.05 0.00 0.25 -0.60 0.00 0.00 178.31 179.32 1h7x n THR 825 N -3.66 1.50 0.29 -1.55 -2.24 -1.26 -2.49 114.28 104.87 1h7x n THR 825 Ca -0.02 0.39 0.18 0.00 -2.27 0.00 0.00 64.05 62.33 1h7x n THR 825 Cb 0.15 -1.27 0.94 0.00 -2.10 0.00 0.00 70.33 68.05 1h7x n THR 825 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1h7x h VAL 826 N 0.00 0.00 -0.51 2.28 -1.51 -1.95 -1.86 116.25 112.70 1h7x h VAL 826 Ca 0.00 -0.09 0.04 0.00 -1.23 0.00 0.00 66.70 65.43 1h7x h VAL 826 Cb 0.12 0.94 -0.03 0.00 -2.13 0.00 0.00 31.29 30.19 1h7x h VAL 826 CO 0.00 0.00 0.34 -0.29 -1.23 0.00 0.00 177.57 176.39 1h7x h ILE 827 N 0.00 1.02 -0.71 7.19 6.09 -1.78 -0.18 117.51 129.15 1h7x h ILE 827 Ca 0.00 -0.18 -0.06 0.00 -1.37 0.00 0.00 64.86 63.25 1h7x h ILE 827 Cb 0.10 0.45 -0.03 0.00 0.47 0.00 0.00 36.82 37.80 1h7x h ILE 827 CO 0.00 0.10 0.20 -0.61 -3.07 0.00 0.00 178.15 174.77 1h7x h GLN 828 N 0.53 1.11 -0.39 2.19 -0.00 -1.60 -0.55 115.11 116.40 1h7x h GLN 828 Ca 0.21 -0.25 -0.08 0.00 -0.00 0.00 0.00 58.65 58.53 1h7x h GLN 828 Cb 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 27.49 1h7x h GLN 828 CO -0.06 0.96 -0.07 0.22 0.00 0.00 0.00 178.83 179.89 1h7x h ASP 829 N 1.05 0.73 -0.67 -0.69 3.58 -1.28 -2.27 116.42 116.87 1h7x h ASP 829 Ca 0.23 -0.35 -0.03 0.00 0.42 0.00 0.00 57.03 57.30 1h7x h ASP 829 Cb 0.33 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 1h7x h ASP 829 CO -0.00 0.91 0.30 1.88 -2.88 0.00 0.00 179.24 179.45 1h7x h TYR 830 N 0.54 0.99 -0.05 0.28 0.05 -0.80 -0.05 116.97 117.93 1h7x h TYR 830 Ca 0.10 -0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 1h7x h TYR 830 Cb 0.58 -0.30 -0.00 0.00 1.01 0.00 0.00 36.73 38.01 1h7x h TYR 830 CO 0.05 0.76 -0.06 0.00 -1.05 0.00 0.00 178.16 177.86 1h7x h THR 832 N -0.32 1.24 -0.52 0.00 1.35 -1.41 -1.91 112.91 111.34 1h7x h THR 832 Ca 0.01 -1.11 -0.03 0.00 -0.55 0.00 0.00 66.41 64.72 1h7x h THR 832 Cb 0.57 1.23 -0.02 0.00 -1.73 0.00 0.00 68.15 68.20 1h7x h THR 832 CO 0.01 0.36 0.19 1.23 -0.25 0.00 0.00 175.52 177.07 1h7x h GLY 833 N 0.96 0.85 1.15 5.82 0.00 -0.94 -1.26 103.07 109.66 1h7x h GLY 833 Ca 0.08 -0.48 -0.16 0.00 0.00 0.00 0.00 47.33 46.76 1h7x h GLY 833 CO 0.04 0.45 -0.42 -2.00 0.00 0.00 0.00 176.54 174.61 1h7x h LEU 834 N 0.71 0.99 -0.57 3.11 5.85 -0.99 -1.84 115.31 122.57 1h7x h LEU 834 Ca 0.17 -0.47 0.02 0.00 0.84 0.00 0.00 57.88 58.45 1h7x h LEU 834 Cb 0.23 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1h7x h LEU 834 CO -0.01 1.27 0.35 0.11 -0.34 0.00 0.00 178.44 179.82 1h7x h LYS 835 N 0.75 0.68 -0.45 1.25 1.57 -1.23 -1.85 116.57 117.29 1h7x h LYS 835 Ca 0.05 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1h7x h LYS 835 Cb 1.01 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 1h7x h LYS 835 CO 0.10 0.45 0.22 0.00 -0.57 0.00 0.00 179.45 179.65 1h7x h ALA 836 N 1.24 0.57 -0.82 3.86 0.00 -1.09 -0.19 119.26 122.84 1h7x h ALA 836 Ca 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1h7x h ALA 836 Cb 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1h7x h ALA 836 CO -0.09 0.13 0.52 -0.07 0.00 0.00 0.00 179.25 179.74 1h7x h LEU 837 N 0.58 0.95 -0.24 0.00 3.38 -1.05 -0.65 115.31 118.28 1h7x h LEU 837 Ca 0.15 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 1h7x h LEU 837 Cb 0.11 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1h7x h LEU 837 CO -0.02 0.71 -0.30 -0.07 0.09 0.00 0.00 178.44 178.85 1h7x h LEU 838 N 1.11 0.68 -0.11 1.67 3.38 -1.16 -3.18 115.31 117.71 1h7x h LEU 838 Ca 0.30 -0.50 0.02 0.00 0.09 0.00 0.00 57.88 57.79 1h7x h LEU 838 Cb -0.09 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1h7x h LEU 838 CO -0.06 1.04 -0.03 0.22 0.09 0.00 0.00 178.44 179.70 1h7x h TYR 839 N 0.33 -0.08 -0.06 1.13 3.20 -0.74 -2.47 116.97 118.28 1h7x h TYR 839 Ca 0.03 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.93 1h7x h TYR 839 Cb 0.87 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.19 1h7x h TYR 839 CO 0.08 -0.06 0.11 -0.07 -1.64 0.00 0.00 178.16 176.58 1h7x h LEU 840 N -0.01 0.00 -0.80 2.82 3.38 -1.16 -0.84 115.31 118.70 1h7x h LEU 840 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1h7x h LEU 840 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1h7x h LEU 840 CO -0.12 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.70 1h7x n LYS 841 N -3.53 0.19 0.00 1.13 5.02 -0.93 -2.14 118.16 117.90 1h7x n LYS 841 Ca -0.01 0.45 0.11 0.00 -2.02 0.00 0.00 58.31 56.84 1h7x n LYS 841 Cb 0.20 -1.89 0.09 0.00 -0.02 0.00 0.00 35.03 33.41 1h7x n LYS 841 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1h7x n SER 842 N -2.26 1.49 -4.45 4.39 3.41 -0.32 -4.83 113.62 111.06 1h7x n SER 842 Ca 0.02 -1.18 -0.44 0.00 -0.26 0.00 0.00 58.87 57.01 1h7x n SER 842 Cb 0.21 0.46 -0.06 0.00 -0.26 0.00 0.00 64.21 64.56 1h7x n SER 842 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1h7x s ILE 843 N -2.61 4.84 0.29 -1.33 -1.09 -0.91 -1.09 121.20 119.30 1h7x s ILE 843 Ca 0.18 -0.45 -0.03 0.00 -2.23 0.00 0.00 60.65 58.12 1h7x s ILE 843 Cb 0.18 -4.32 0.25 0.00 -1.58 0.00 0.00 42.46 36.99 1h7x s ILE 843 CO 0.62 -0.84 1.95 -0.08 -1.23 0.00 0.00 174.94 175.36 1h7x h GLU 844 N 9.02 1.10 0.00 2.79 4.81 -1.86 -2.55 114.58 127.89 1h7x h GLU 844 Ca -0.27 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1h7x h GLU 844 Cb 1.09 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1h7x h GLU 844 CO 0.98 0.75 0.00 0.39 -0.73 0.00 0.00 179.01 180.39 1h7x n GLU 845 N -4.39 0.01 -0.45 1.92 4.71 -1.26 -2.94 120.64 118.23 1h7x n GLU 845 Ca 0.09 0.29 0.05 0.00 -0.01 0.00 0.00 57.16 57.59 1h7x n GLU 845 Cb 0.04 -1.51 0.20 0.00 -1.01 0.00 0.00 31.44 29.16 1h7x n GLU 845 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1h7x n LEU 846 N -1.53 3.32 0.29 -4.62 4.77 -0.96 -4.72 117.00 113.55 1h7x n LEU 846 Ca 0.03 -3.37 0.16 0.00 -0.03 0.00 0.00 56.01 52.80 1h7x n LEU 846 Cb 0.15 -0.53 0.85 0.00 -2.33 0.00 0.00 43.42 41.56 1h7x n LEU 846 CO 0.12 0.95 1.04 1.56 -1.33 0.00 0.00 177.39 179.73 1h7x h GLN 847 N 0.94 0.00 0.00 3.23 4.20 -1.62 -2.42 115.11 119.44 1h7x h GLN 847 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1h7x h GLN 847 Cb 1.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.08 1h7x h GLN 847 CO 0.17 0.06 0.00 0.41 -0.67 0.00 0.00 178.83 178.80 1h7x n GLY 848 N -0.75 -1.37 3.85 3.46 0.00 -1.26 -4.83 105.19 104.28 1h7x n GLY 848 Ca -0.02 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 1h7x n GLY 848 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h7x s TRP 849 N -3.06 3.38 -0.47 1.61 0.52 -0.91 -4.30 118.94 115.71 1h7x s TRP 849 Ca 0.10 1.36 -0.04 0.00 0.02 0.00 0.00 56.10 57.54 1h7x s TRP 849 Cb 0.14 -2.80 0.12 0.00 -1.15 0.00 0.00 33.47 29.78 1h7x s TRP 849 CO 0.45 -0.92 0.28 0.34 0.02 0.00 0.00 176.95 177.13 1h7x s ASP 850 N -3.91 5.35 1.77 2.95 2.15 -0.29 -4.95 116.67 119.74 1h7x s ASP 850 Ca 0.57 -2.18 0.00 0.00 0.43 0.00 0.00 52.55 51.37 1h7x s ASP 850 Cb -0.12 -1.87 0.00 0.00 -0.30 0.00 0.00 42.92 40.62 1h7x s ASP 850 CO 0.53 -0.54 0.00 0.61 -0.17 0.00 0.00 175.17 175.60 1h7x n GLY 851 N 4.43 3.27 0.63 2.66 0.00 -1.26 -1.44 105.19 113.48 1h7x n GLY 851 Ca -0.01 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 45.97 1h7x n GLY 851 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h7x n GLN 852 N 13.54 1.83 -3.32 1.61 6.02 -1.26 -4.86 117.38 130.94 1h7x n GLN 852 Ca 0.00 -1.25 -0.39 0.00 -0.01 0.00 0.00 57.00 55.35 1h7x n GLN 852 Cb 0.00 -1.39 -0.08 0.00 1.02 0.00 0.00 30.24 29.78 1h7x n GLN 852 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1h7x s SER 853 N -1.48 6.34 0.71 1.08 0.01 -0.52 -4.87 113.70 114.96 1h7x s SER 853 Ca 0.32 0.40 -0.14 0.00 1.31 0.00 0.00 55.95 57.84 1h7x s SER 853 Cb 0.17 -2.24 0.03 0.00 0.21 0.00 0.00 66.02 64.19 1h7x s SER 853 CO 0.25 -0.22 1.13 -2.84 0.41 0.00 0.00 173.24 171.97 1h7x s PRO 854 N 2.14 2.46 0.25 12.44 0.02 -1.26 -1.14 135.00 149.91 1h7x s PRO 854 Ca 0.18 1.44 -0.31 0.00 0.02 0.00 0.00 61.00 62.32 1h7x s PRO 854 Cb -0.16 -1.90 -0.13 0.00 0.02 0.00 0.00 34.50 32.33 1h7x s PRO 854 CO 0.09 -1.53 1.44 0.41 -0.33 0.00 0.00 177.00 177.09 1h7x n GLY 855 N -0.41 0.88 3.70 0.52 0.00 -1.26 -4.78 105.19 103.83 1h7x n GLY 855 Ca 0.11 0.49 -0.42 0.00 0.00 0.00 0.00 46.02 46.20 1h7x n GLY 855 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h7x s THR 856 N -0.05 3.47 0.03 2.61 2.01 -1.26 -5.01 115.64 117.43 1h7x s THR 856 Ca 0.67 0.94 0.03 0.00 0.31 0.00 0.00 61.69 63.64 1h7x s THR 856 Cb -0.62 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 1h7x s THR 856 CO 0.49 0.02 -0.02 -1.61 -0.69 0.00 0.00 174.62 172.81 1h7x s GLU 857 N 2.05 2.64 -0.06 4.92 2.02 -1.26 -5.06 118.70 123.95 1h7x s GLU 857 Ca 0.66 -0.72 -0.38 0.00 0.02 0.00 0.00 54.97 54.55 1h7x s GLU 857 Cb -0.35 -2.58 -0.16 0.00 0.10 0.00 0.00 34.13 31.15 1h7x s GLU 857 CO 0.29 0.59 1.52 -1.13 0.02 0.00 0.00 175.26 176.54 1h7x n SER 858 N 1.18 1.99 -3.88 -0.19 3.41 -1.26 -4.93 113.62 109.95 1h7x n SER 858 Ca -0.14 1.10 -0.08 0.00 -0.26 0.00 0.00 58.87 59.49 1h7x n SER 858 Cb 0.52 -1.18 -0.03 0.00 -0.26 0.00 0.00 64.21 63.26 1h7x n SER 858 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1h7x s HIS 859 N 1.78 0.01 -0.05 7.33 -3.43 -1.26 -2.36 115.29 117.30 1h7x s HIS 859 Ca 0.90 -0.41 -0.02 0.00 -0.80 0.00 0.00 55.06 54.73 1h7x s HIS 859 Cb -0.99 0.47 0.03 0.00 -1.43 0.00 0.00 32.58 30.66 1h7x s HIS 859 CO 0.54 -1.09 0.08 -0.65 -2.00 0.00 0.00 174.74 171.63 1h7x s GLN 860 N -3.94 -0.05 -1.51 -0.38 -1.52 -0.71 -4.34 119.66 107.20 1h7x s GLN 860 Ca 0.14 0.41 0.00 0.00 -1.95 0.00 0.00 55.36 53.97 1h7x s GLN 860 Cb -0.03 -0.49 0.00 0.00 -0.22 0.00 0.00 33.01 32.27 1h7x s GLN 860 CO 0.06 -0.33 0.00 1.63 -0.25 0.00 0.00 175.29 176.39 1h7x n LYS 861 N 5.31 -1.31 -0.13 2.91 5.02 -1.26 -1.94 118.16 126.75 1h7x n LYS 861 Ca -0.03 0.87 0.00 0.00 -2.02 0.00 0.00 58.31 57.13 1h7x n LYS 861 Cb 0.50 -5.27 0.00 0.00 -0.02 0.00 0.00 35.03 30.24 1h7x n LYS 861 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h7x n GLY 862 N -0.99 2.58 3.74 0.72 0.00 -1.26 -4.54 105.19 105.44 1h7x n GLY 862 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1h7x n GLY 862 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h7x s LYS 863 N -0.05 4.21 0.16 1.61 1.02 -0.82 -4.50 119.74 121.37 1h7x s LYS 863 Ca 0.00 0.22 -0.34 0.00 0.02 0.00 0.00 55.97 55.87 1h7x s LYS 863 Cb 0.00 -3.40 -0.15 0.00 -0.52 0.00 0.00 37.83 33.76 1h7x s LYS 863 CO 0.00 0.29 1.33 -2.30 -0.92 0.00 0.00 175.35 173.75 1h7x n PRO 864 N 3.33 1.50 -2.67 -1.68 -0.02 -1.26 -1.73 135.00 132.47 1h7x n PRO 864 Ca -0.11 0.54 -0.36 0.00 -2.02 0.00 0.00 63.50 61.54 1h7x n PRO 864 Cb 0.52 -2.15 -0.05 0.00 -0.02 0.00 0.00 33.50 31.79 1h7x n PRO 864 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1h7x s VAL 865 N 0.21 3.99 0.25 -1.45 -7.23 -0.99 -4.85 120.40 110.32 1h7x s VAL 865 Ca 0.76 1.56 -0.31 0.00 -1.81 0.00 0.00 61.98 62.18 1h7x s VAL 865 Cb -0.81 -3.82 -0.12 0.00 0.56 0.00 0.00 36.38 32.19 1h7x s VAL 865 CO 0.48 0.05 1.66 -2.84 -0.31 0.00 0.00 175.10 174.13 1h7x s PRO 866 N -2.33 4.12 -0.22 4.82 0.02 -1.26 -4.87 135.00 135.28 1h7x s PRO 866 Ca 0.54 2.59 0.02 0.00 0.02 0.00 0.00 61.00 64.17 1h7x s PRO 866 Cb -0.20 -3.05 0.30 0.00 0.02 0.00 0.00 34.50 31.58 1h7x s PRO 866 CO 0.25 -0.70 1.47 0.54 -0.33 0.00 0.00 177.00 178.23 1h7x n ARG 867 N 3.10 1.59 -2.08 5.54 1.74 -1.26 -4.91 116.66 120.39 1h7x n ARG 867 Ca 0.12 -1.41 -0.41 0.00 -0.77 0.00 0.00 57.85 55.39 1h7x n ARG 867 Cb 0.36 -1.55 -0.02 0.00 -1.02 0.00 0.00 32.46 30.23 1h7x n ARG 867 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1h7x s ILE 868 N -1.58 2.69 0.30 0.55 1.01 -1.26 -4.93 121.20 117.98 1h7x s ILE 868 Ca 0.27 0.66 0.08 0.00 0.00 0.00 0.00 60.65 61.66 1h7x s ILE 868 Cb 0.22 -3.42 0.03 0.00 0.01 0.00 0.00 42.46 39.31 1h7x s ILE 868 CO 0.05 0.14 1.70 0.00 0.00 0.00 0.00 174.94 176.83 1h7x h ALA 869 N 3.84 1.12 0.00 9.38 0.00 -1.97 -2.76 119.26 128.88 1h7x h ALA 869 Ca -0.48 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.00 1h7x h ALA 869 Cb 1.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1h7x h ALA 869 CO 0.69 0.60 0.00 0.39 0.00 0.00 0.00 179.25 180.93 1h7x n GLU 870 N -3.99 0.32 -0.04 0.00 4.71 -1.26 -3.31 120.64 117.06 1h7x n GLU 870 Ca -0.02 0.08 -0.03 0.00 -0.01 0.00 0.00 57.16 57.19 1h7x n GLU 870 Cb 0.50 -1.50 -0.09 0.00 -1.01 0.00 0.00 31.44 29.34 1h7x n GLU 870 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1h7x n LEU 871 N -1.26 0.00 -4.69 -4.62 4.77 -1.05 -4.85 117.00 105.29 1h7x n LEU 871 Ca 0.10 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.66 1h7x n LEU 871 Cb 0.16 0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 1h7x n LEU 871 CO 0.16 0.22 1.47 -0.04 -1.33 0.00 0.00 177.39 177.86 1h7x s MET 872 N -2.40 4.14 -1.52 3.23 -1.94 -1.14 -2.56 119.30 117.11 1h7x s MET 872 Ca -0.05 2.58 0.00 0.00 -1.71 0.00 0.00 55.69 56.51 1h7x s MET 872 Cb 0.04 -3.63 0.00 0.00 2.01 0.00 0.00 34.83 33.25 1h7x s MET 872 CO 0.47 -0.84 0.00 0.41 -0.01 0.00 0.00 175.02 175.05 1h7x n GLY 873 N 4.24 1.43 0.09 -0.03 0.00 -1.26 -4.84 105.19 104.82 1h7x n GLY 873 Ca 0.18 -0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.22 1h7x n GLY 873 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1h7x n LYS 874 N -1.91 0.91 -3.63 1.61 4.76 -1.06 -4.92 118.16 113.92 1h7x n LYS 874 Ca -0.14 -0.19 -0.23 0.00 -2.87 0.00 0.00 58.31 54.87 1h7x n LYS 874 Cb 0.56 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 32.29 1h7x n LYS 874 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1h7x n LYS 875 N -0.88 -3.28 -3.80 1.97 5.02 -1.26 -4.96 118.16 110.97 1h7x n LYS 875 Ca 0.19 0.61 -0.35 0.00 -2.02 0.00 0.00 58.31 56.74 1h7x n LYS 875 Cb 0.21 -4.95 -0.12 0.00 -0.02 0.00 0.00 35.03 30.16 1h7x n LYS 875 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1h7x s LEU 876 N -6.40 5.09 0.98 -0.35 1.43 -1.26 -5.01 118.68 113.15 1h7x s LEU 876 Ca 0.22 -2.43 -0.12 0.00 -1.03 0.00 0.00 54.13 50.77 1h7x s LEU 876 Cb -0.06 -1.79 0.18 0.00 0.03 0.00 0.00 46.19 44.54 1h7x s LEU 876 CO 0.82 -0.43 1.08 -2.84 0.23 0.00 0.00 176.35 175.21 1h7x s PRO 877 N 0.55 0.56 -0.36 1.29 0.02 -1.26 -4.90 135.00 130.90 1h7x s PRO 877 Ca 0.12 0.91 -0.04 0.00 0.02 0.00 0.00 61.00 62.01 1h7x s PRO 877 Cb -0.22 -1.72 0.02 0.00 0.02 0.00 0.00 34.50 32.60 1h7x s PRO 877 CO -0.04 -2.74 2.85 0.09 -0.33 0.00 0.00 177.00 176.83 1h7x n ASN 878 N -4.24 6.24 -3.63 2.53 3.02 -1.26 -3.45 115.26 114.47 1h7x n ASN 878 Ca 0.06 -3.06 -0.10 0.00 -0.03 0.00 0.00 54.58 51.46 1h7x n ASN 878 Cb 0.55 -1.25 -0.03 0.00 -0.61 0.00 0.00 39.78 38.44 1h7x n ASN 878 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1h7x s PHE 879 N -1.23 -0.29 0.00 3.10 -0.12 -1.26 -4.84 117.98 113.34 1h7x s PHE 879 Ca 0.57 -0.02 0.00 0.00 -0.05 0.00 0.00 56.93 57.44 1h7x s PHE 879 Cb 0.36 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 43.25 1h7x s PHE 879 CO -0.16 -0.93 0.00 0.41 -0.05 0.00 0.00 175.22 174.48 1h7x n GLY 880 N -0.37 1.38 0.30 1.99 0.00 0.91 -2.09 105.19 107.31 1h7x n GLY 880 Ca -0.12 -0.52 0.16 0.00 0.00 0.00 0.00 46.02 45.54 1h7x n GLY 880 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h7x h PRO 881 N 0.00 0.00 -0.39 1.61 0.13 -1.77 -1.94 132.00 129.64 1h7x h PRO 881 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.99 1h7x h PRO 881 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1h7x h PRO 881 CO 0.00 0.02 -0.30 1.88 -0.23 0.00 0.00 178.00 179.36 1h7x h TYR 882 N 0.00 1.00 -0.59 1.56 0.05 -1.75 -2.16 116.97 115.08 1h7x h TYR 882 Ca -0.00 -0.26 -0.03 0.00 0.05 0.00 0.00 58.73 58.48 1h7x h TYR 882 Cb 0.06 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.55 1h7x h TYR 882 CO 0.00 1.05 0.24 1.25 -1.05 0.00 0.00 178.16 179.64 1h7x h LEU 883 N 0.72 0.81 -0.65 3.88 5.85 -0.78 -0.72 115.31 124.42 1h7x h LEU 883 Ca 0.08 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.68 1h7x h LEU 883 Cb 0.86 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1h7x h LEU 883 CO 0.08 0.76 0.37 -0.33 -0.34 0.00 0.00 178.44 178.98 1h7x h GLU 884 N 0.82 0.68 -0.08 1.25 5.08 -1.38 -0.69 114.58 120.26 1h7x h GLU 884 Ca 0.20 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1h7x h GLU 884 Cb 0.20 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1h7x h GLU 884 CO -0.02 0.45 0.05 0.37 -1.00 0.00 0.00 179.01 178.86 1h7x h GLN 885 N 0.70 0.10 -0.56 2.33 5.75 -0.93 -1.39 115.11 121.11 1h7x h GLN 885 Ca 0.29 -0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.83 1h7x h GLN 885 Cb 0.15 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.63 1h7x h GLN 885 CO -0.16 0.06 0.30 0.00 -2.65 0.00 0.00 178.83 176.38 1h7x h ARG 886 N 0.10 0.55 -0.84 1.69 3.08 -0.57 -0.96 114.38 117.43 1h7x h ARG 886 Ca 0.03 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1h7x h ARG 886 Cb -0.01 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 1h7x h ARG 886 CO -0.01 0.37 0.45 0.87 -1.07 0.00 0.00 179.97 180.58 1h7x h LYS 887 N 0.57 1.17 -0.37 0.04 1.57 -0.85 0.16 116.57 118.87 1h7x h LYS 887 Ca 0.24 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1h7x h LYS 887 Cb 0.14 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1h7x h LYS 887 CO -0.16 0.86 0.07 -0.22 -0.57 0.00 0.00 179.45 179.43 1h7x h LYS 888 N 1.18 0.61 -0.57 3.15 3.64 -0.64 -0.88 116.57 123.05 1h7x h LYS 888 Ca 0.30 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1h7x h LYS 888 Cb 0.03 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1h7x h LYS 888 CO -0.05 0.67 0.21 0.82 -2.27 0.00 0.00 179.45 178.83 1h7x h ILE 889 N 0.45 1.23 -0.47 2.00 2.04 -0.76 -1.67 117.51 120.32 1h7x h ILE 889 Ca 0.11 -0.74 -0.05 0.00 1.00 0.00 0.00 64.86 65.18 1h7x h ILE 889 Cb 0.35 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1h7x h ILE 889 CO 0.01 0.28 0.10 0.40 0.00 0.00 0.00 178.15 178.94 1h7x h ILE 890 N 0.79 1.24 -0.71 -0.67 2.04 -0.85 -1.60 117.51 117.75 1h7x h ILE 890 Ca 0.19 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1h7x h ILE 890 Cb 0.23 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1h7x h ILE 890 CO -0.01 0.31 0.45 0.00 0.00 0.00 0.00 178.15 178.89 1h7x h ALA 891 N 0.97 0.90 -0.53 1.87 0.00 -0.98 -1.19 119.26 120.30 1h7x h ALA 891 Ca 0.15 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1h7x h ALA 891 Cb 0.36 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1h7x h ALA 891 CO 0.01 0.35 0.10 0.93 0.00 0.00 0.00 179.25 180.64 1h7x h GLU 892 N 0.96 0.82 -0.58 0.00 5.08 -1.12 -2.19 114.58 117.56 1h7x h GLU 892 Ca 0.26 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1h7x h GLU 892 Cb -0.07 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1h7x h GLU 892 CO -0.05 0.76 0.16 1.49 -1.00 0.00 0.00 179.01 180.36 1h7x h GLU 893 N 0.79 0.91 -0.79 2.33 4.57 -0.65 -2.06 114.58 119.68 1h7x h GLU 893 Ca 0.17 -0.21 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 1h7x h GLU 893 Cb 0.33 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 1h7x h GLU 893 CO 0.00 0.84 0.35 0.87 -1.18 0.00 0.00 179.01 179.89 1h7x h LYS 894 N 0.82 1.16 -0.08 1.92 1.79 -0.85 -0.83 116.57 120.50 1h7x h LYS 894 Ca 0.18 -0.19 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 1h7x h LYS 894 Cb 0.32 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1h7x h LYS 894 CO -0.00 0.91 -0.35 0.52 -1.08 0.00 0.00 179.45 179.46 1h7x h MET 895 N 1.14 0.17 -0.23 3.15 2.86 -1.20 -2.07 114.93 118.74 1h7x h MET 895 Ca 0.27 -0.07 -0.18 0.00 -2.06 0.00 0.00 59.70 57.66 1h7x h MET 895 Cb 0.16 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1h7x h MET 895 CO -0.03 0.50 -0.55 -0.09 1.06 0.00 0.00 176.91 177.80 1h7x h ARG 896 N 0.15 0.79 0.00 1.72 2.43 -0.73 -2.74 114.38 115.99 1h7x h ARG 896 Ca 0.02 -0.54 -0.04 0.00 -0.81 0.00 0.00 59.98 58.61 1h7x h ARG 896 Cb 0.69 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1h7x h ARG 896 CO 0.05 1.16 -0.17 -0.07 -1.51 0.00 0.00 179.97 179.43 1h7x h LEU 897 N 0.54 0.00 -1.41 3.80 3.38 -0.94 0.33 115.31 121.00 1h7x h LEU 897 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1h7x h LEU 897 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1h7x h LEU 897 CO 0.12 0.17 -0.19 0.50 0.09 0.00 0.00 178.44 179.14 1h7x h LYS 898 N 0.00 0.00 -0.01 1.13 3.64 -1.08 -2.37 116.57 117.89 1h7x h LYS 898 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1h7x h LYS 898 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1h7x h LYS 898 CO 0.02 0.19 -0.70 0.39 -2.27 0.00 0.00 179.45 177.08 1h7x n GLU 899 N -3.46 1.10 -1.58 1.90 1.02 0.05 -4.99 120.64 114.68 1h7x n GLU 899 Ca -0.01 -0.34 -0.20 0.00 -0.02 0.00 0.00 57.16 56.60 1h7x n GLU 899 Cb 0.36 -1.38 0.13 0.00 -0.02 0.00 0.00 31.44 30.53 1h7x n GLU 899 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1h7x n GLN 900 N -0.92 -0.59 -3.88 3.49 6.02 0.93 -5.08 117.38 117.34 1h7x n GLN 900 Ca 0.05 -1.64 -0.34 0.00 -0.01 0.00 0.00 57.00 55.07 1h7x n GLN 900 Cb 0.33 -0.82 -0.05 0.00 1.02 0.00 0.00 30.24 30.73 1h7x n GLN 900 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1h7x s ASN 901 N -4.31 6.39 -0.49 1.08 3.84 -1.26 -4.98 114.94 115.22 1h7x s ASN 901 Ca 0.52 0.39 0.05 0.00 0.21 0.00 0.00 52.86 54.03 1h7x s ASN 901 Cb -0.02 -2.02 0.21 0.00 -0.55 0.00 0.00 41.25 38.87 1h7x s ASN 901 CO 0.36 0.27 0.82 0.00 -2.79 0.00 0.00 177.10 175.76 1h7x n ALA 902 N 1.04 -2.05 -3.10 1.71 0.00 -1.26 -5.03 120.51 111.81 1h7x n ALA 902 Ca -0.11 -0.96 -0.40 0.00 0.00 0.00 0.00 53.44 51.96 1h7x n ALA 902 Cb 0.53 -1.71 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 1h7x n ALA 902 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h7x n ALA 903 N 2.59 4.94 -3.19 0.00 0.00 -1.26 -4.92 120.51 118.67 1h7x n ALA 903 Ca 0.15 -4.79 -0.22 0.00 0.00 0.00 0.00 53.44 48.58 1h7x n ALA 903 Cb 0.59 -2.09 -0.05 0.00 0.00 0.00 0.00 19.45 17.89 1h7x n ALA 903 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1h7x n PHE 904 N 1.30 -0.00 -0.61 0.00 3.01 -1.26 -5.09 117.46 114.81 1h7x n PHE 904 Ca 0.27 -3.68 -0.29 0.00 1.01 0.00 0.00 57.45 54.75 1h7x n PHE 904 Cb 0.35 -0.38 0.22 0.00 -0.01 0.00 0.00 39.48 39.65 1h7x n PHE 904 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 1h7x s PRO 905 N -1.71 -0.10 0.65 -1.08 0.02 -1.26 -4.83 135.00 126.68 1h7x s PRO 905 Ca 0.37 1.15 -0.05 0.00 0.02 0.00 0.00 61.00 62.50 1h7x s PRO 905 Cb 0.24 -1.63 0.07 0.00 0.02 0.00 0.00 34.50 33.21 1h7x s PRO 905 CO -0.10 -3.27 0.17 -2.30 -0.33 0.00 0.00 177.00 171.17 1h7x n PRO 906 N -4.64 0.59 -3.20 5.54 -0.02 -1.26 -4.85 135.00 127.16 1h7x n PRO 906 Ca 0.07 -0.28 -0.41 0.00 -2.02 0.00 0.00 63.50 60.86 1h7x n PRO 906 Cb 0.53 -1.09 -0.01 0.00 -0.02 0.00 0.00 33.50 32.91 1h7x n PRO 906 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1h7x n LEU 907 N 0.00 5.65 -0.43 2.45 4.77 -1.26 -4.99 117.00 123.19 1h7x n LEU 907 Ca 0.03 -5.20 0.00 0.00 -0.03 0.00 0.00 56.01 50.81 1h7x n LEU 907 Cb 0.12 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 39.98 1h7x n LEU 907 CO 0.08 1.65 0.00 -0.62 -1.33 0.00 0.00 177.39 177.17 1h7x n GLU 908 N 1.67 0.00 -2.31 3.23 1.02 -1.26 -4.77 120.64 118.22 1h7x n GLU 908 Ca 0.26 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.97 1h7x n GLU 908 Cb 0.36 -0.14 -0.02 0.00 -0.02 0.00 0.00 31.44 31.61 1h7x n GLU 908 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1h7x s ARG 909 N -0.04 4.14 -0.11 3.49 3.52 -1.26 -5.01 118.95 123.67 1h7x s ARG 909 Ca 0.00 1.71 -0.02 0.00 -0.13 0.00 0.00 55.73 57.29 1h7x s ARG 909 Cb 0.00 -3.85 0.04 0.00 -1.56 0.00 0.00 34.95 29.58 1h7x s ARG 909 CO 0.00 -0.84 0.02 0.21 -0.81 0.00 0.00 175.30 173.88 1h7x s LYS 910 N 3.81 0.54 0.30 5.12 2.20 -1.26 -5.14 119.74 125.32 1h7x s LYS 910 Ca 0.60 -0.05 -0.28 0.00 -0.36 0.00 0.00 55.97 55.89 1h7x s LYS 910 Cb -0.24 -1.35 -0.14 0.00 -1.51 0.00 0.00 37.83 34.60 1h7x s LYS 910 CO 0.20 -0.43 1.00 -2.30 -0.36 0.00 0.00 175.35 173.46 1h7x n PRO 911 N 5.14 1.34 -2.63 4.03 -0.02 -1.26 -4.97 135.00 136.64 1h7x n PRO 911 Ca -0.07 0.47 -0.37 0.00 -2.02 0.00 0.00 63.50 61.50 1h7x n PRO 911 Cb 0.49 -1.86 -0.05 0.00 -0.02 0.00 0.00 33.50 32.06 1h7x n PRO 911 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1h7x s PHE 912 N -1.09 3.51 -0.07 6.00 0.08 -0.69 -5.05 117.98 120.68 1h7x s PHE 912 Ca 0.59 1.72 0.05 0.00 0.12 0.00 0.00 56.93 59.40 1h7x s PHE 912 Cb -0.69 -3.07 -0.01 0.00 -0.57 0.00 0.00 43.02 38.68 1h7x s PHE 912 CO 0.60 -0.26 -0.21 0.42 -0.10 0.00 0.00 175.22 175.66 1h7x s ILE 913 N -1.54 2.37 0.14 0.64 1.01 -1.26 -4.90 121.20 117.67 1h7x s ILE 913 Ca 0.52 -0.95 -0.35 0.00 0.00 0.00 0.00 60.65 59.87 1h7x s ILE 913 Cb -0.23 -1.89 -0.15 0.00 0.01 0.00 0.00 42.46 40.20 1h7x s ILE 913 CO 0.29 0.57 1.48 -2.65 0.00 0.00 0.00 174.94 174.63 1h7x n PRO 914 N 2.93 1.79 -0.30 2.79 -0.02 -1.26 -4.73 135.00 136.20 1h7x n PRO 914 Ca -0.17 0.65 0.10 0.00 -2.02 0.00 0.00 63.50 62.05 1h7x n PRO 914 Cb 0.52 -2.36 0.27 0.00 -0.02 0.00 0.00 33.50 31.91 1h7x n PRO 914 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1h7x n LYS 915 N 3.01 2.74 -3.49 -0.52 5.02 -0.25 -4.96 118.16 119.71 1h7x n LYS 915 Ca 0.17 -2.46 -0.09 0.00 -2.02 0.00 0.00 58.31 53.91 1h7x n LYS 915 Cb 0.26 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.77 1h7x n LYS 915 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1h7x s LYS 916 N -1.02 1.01 0.47 1.97 -2.85 -1.26 -5.07 119.74 112.99 1h7x s LYS 916 Ca 0.41 -0.39 -0.24 0.00 -1.00 0.00 0.00 55.97 54.75 1h7x s LYS 916 Cb 0.21 0.45 -0.08 0.00 -2.06 0.00 0.00 37.83 36.36 1h7x s LYS 916 CO 0.28 -0.44 1.28 -0.35 0.10 0.00 0.00 175.35 176.22 1h7x n PRO 917 N -0.30 1.82 -2.30 1.78 -0.04 -1.26 -4.79 135.00 129.91 1h7x n PRO 917 Ca -0.11 0.65 -0.42 0.00 -0.04 0.00 0.00 63.50 63.58 1h7x n PRO 917 Cb 0.63 -2.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.62 1h7x n PRO 917 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1h7x s ILE 918 N -1.25 3.94 0.47 0.52 -1.09 -1.26 -4.81 121.20 117.72 1h7x s ILE 918 Ca 0.65 1.26 -0.24 0.00 -2.23 0.00 0.00 60.65 60.09 1h7x s ILE 918 Cb -0.47 -3.81 -0.07 0.00 -1.58 0.00 0.00 42.46 36.53 1h7x s ILE 918 CO 0.55 -0.04 1.33 -2.16 -1.23 0.00 0.00 174.94 173.38 1h7x s PRO 919 N 2.79 3.61 0.53 2.79 0.04 -1.26 -5.02 135.00 138.48 1h7x s PRO 919 Ca 0.61 2.18 0.02 0.00 0.04 0.00 0.00 61.00 63.85 1h7x s PRO 919 Cb -0.28 -2.52 0.03 0.00 0.04 0.00 0.00 34.50 31.76 1h7x s PRO 919 CO 0.23 -0.79 0.75 0.00 0.04 0.00 0.00 177.00 177.23 1h7x s ALA 920 N -1.31 3.91 0.23 8.56 0.00 -1.26 -4.91 121.76 126.98 1h7x s ALA 920 Ca 0.63 -1.30 -0.07 0.00 0.00 0.00 0.00 51.96 51.22 1h7x s ALA 920 Cb -0.39 -2.06 0.31 0.00 0.00 0.00 0.00 23.12 20.98 1h7x s ALA 920 CO 0.48 -0.66 1.83 0.82 0.00 0.00 0.00 175.76 178.23 1h7x h ILE 921 N 0.15 1.00 -0.07 0.00 1.08 -1.81 -0.66 117.51 117.21 1h7x h ILE 921 Ca -0.43 -0.29 0.02 0.00 -0.39 0.00 0.00 64.86 63.77 1h7x h ILE 921 Cb 1.29 0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 35.11 1h7x h ILE 921 CO 0.53 0.15 0.07 0.07 -0.69 0.00 0.00 178.15 178.28 1h7x h LYS 922 N 0.85 0.00 0.00 2.37 2.10 -1.94 -1.62 116.57 118.33 1h7x h LYS 922 Ca 0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 1h7x h LYS 922 Cb 0.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 1h7x h LYS 922 CO -0.19 0.00 0.00 -0.44 -2.00 0.00 0.00 179.45 176.82 1h7x h ASP 923 N 0.00 0.00 0.00 7.07 3.32 -1.48 -3.31 116.42 122.01 1h7x h ASP 923 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1h7x h ASP 923 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1h7x h ASP 923 CO -0.00 0.00 -1.67 1.33 -1.72 0.00 0.00 179.24 177.18 1h7x n VAL 924 N -2.46 0.00 -1.68 -1.35 0.24 -0.64 -4.89 118.33 107.55 1h7x n VAL 924 Ca 0.05 -0.35 -0.46 0.00 -2.04 0.00 0.00 64.34 61.54 1h7x n VAL 924 Cb 0.43 0.19 -0.04 0.00 -1.47 0.00 0.00 33.84 32.95 1h7x n VAL 924 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1h7x n ILE 925 N -2.02 0.37 -0.95 1.34 5.41 -1.04 -2.13 119.36 120.34 1h7x n ILE 925 Ca -0.03 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.66 1h7x n ILE 925 Cb 0.41 -1.88 0.00 0.00 -0.71 0.00 0.00 39.64 37.47 1h7x n ILE 925 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1h7x n GLY 926 N 4.08 0.66 0.31 7.39 0.00 -0.25 -4.85 105.19 112.53 1h7x n GLY 926 Ca 0.20 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.41 1h7x n GLY 926 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h7x h LYS 927 N 1.82 0.00 0.00 1.61 1.79 -1.12 -2.53 116.57 118.15 1h7x h LYS 927 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1h7x h LYS 927 Cb 0.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1h7x h LYS 927 CO 0.00 0.02 -0.30 0.00 -1.08 0.00 0.00 179.45 178.08 1h7x h ALA 928 N 1.98 0.84 -0.36 3.86 0.00 -1.58 -3.34 119.26 120.67 1h7x h ALA 928 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1h7x h ALA 928 Cb 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1h7x h ALA 928 CO 0.00 0.00 0.26 -0.07 0.00 0.00 0.00 179.25 179.44 1h7x h LEU 929 N 0.00 0.02 -2.69 0.00 3.38 -1.58 -1.52 115.31 112.93 1h7x h LEU 929 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1h7x h LEU 929 Cb 0.97 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 1h7x h LEU 929 CO 0.00 0.01 -0.01 0.06 0.09 0.00 0.00 178.44 178.60 1h7x h GLN 930 N 0.03 0.00 0.00 1.13 3.07 -1.77 -1.70 115.11 115.86 1h7x h GLN 930 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.91 1h7x h GLN 930 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.21 1h7x h GLN 930 CO -0.01 0.01 -0.77 0.66 0.09 0.00 0.00 178.83 178.81 1h7x n TYR 931 N -3.31 0.16 -3.23 0.06 4.01 -0.57 -4.92 117.16 109.36 1h7x n TYR 931 Ca -0.03 0.05 -0.37 0.00 -0.16 0.00 0.00 57.90 57.39 1h7x n TYR 931 Cb 0.10 -0.33 -0.06 0.00 -0.31 0.00 0.00 39.34 38.74 1h7x n TYR 931 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1h7x s LEU 932 N -3.48 4.42 0.00 7.72 1.43 -0.64 -5.04 118.68 123.10 1h7x s LEU 932 Ca 0.07 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 1h7x s LEU 932 Cb 0.16 -3.23 0.00 0.00 0.03 0.00 0.00 46.19 43.15 1h7x s LEU 932 CO 0.76 0.15 0.00 0.61 0.23 0.00 0.00 176.35 178.10 1h7x n GLY 933 N 1.15 1.45 3.91 -3.19 0.00 -1.26 -5.03 105.19 102.22 1h7x n GLY 933 Ca -0.06 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 1h7x n GLY 933 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h7x s THR 934 N -2.42 2.09 0.22 2.61 -4.23 -1.26 -4.98 115.64 107.67 1h7x s THR 934 Ca 0.00 -0.09 -0.05 0.00 -1.18 0.00 0.00 61.69 60.37 1h7x s THR 934 Cb 0.00 -3.00 0.06 0.00 1.34 0.00 0.00 72.50 70.90 1h7x s THR 934 CO 0.00 0.00 1.66 0.15 -0.54 0.00 0.00 174.62 175.89 1h7x h PHE 935 N -0.91 0.94 0.00 3.99 3.57 -2.02 -2.76 116.94 119.75 1h7x h PHE 935 Ca -0.45 -0.19 -0.00 0.00 3.53 0.00 0.00 57.97 60.86 1h7x h PHE 935 Cb 1.32 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.83 1h7x h PHE 935 CO 0.29 0.92 -0.00 0.78 -2.23 0.00 0.00 178.31 178.07 1h7x h GLY 936 N 0.97 0.00 1.58 2.40 0.00 -2.04 -0.63 103.07 105.35 1h7x h GLY 936 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1h7x h GLY 936 CO 0.04 0.00 -0.04 1.18 0.00 0.00 0.00 176.54 177.73 1h7x n GLU 937 N -3.35 0.33 -3.18 4.80 1.02 -1.04 -4.78 120.64 114.43 1h7x n GLU 937 Ca -0.03 -0.03 -0.39 0.00 -0.02 0.00 0.00 57.16 56.69 1h7x n GLU 937 Cb 0.09 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.95 1h7x n GLU 937 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1h7x s LEU 938 N -2.69 4.45 -0.01 -4.62 1.43 -0.24 -5.02 118.68 111.97 1h7x s LEU 938 Ca 0.24 1.23 -0.30 0.00 -1.03 0.00 0.00 54.13 54.27 1h7x s LEU 938 Cb 0.20 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 1h7x s LEU 938 CO 0.49 0.13 1.02 -0.55 0.23 0.00 0.00 176.35 177.68 1h7x s SER 939 N -0.41 7.30 -0.00 2.29 0.15 -1.26 -4.91 113.70 116.86 1h7x s SER 939 Ca 0.32 1.69 0.23 0.00 0.70 0.00 0.00 55.95 58.88 1h7x s SER 939 Cb -0.19 -2.57 0.66 0.00 -1.71 0.00 0.00 66.02 62.21 1h7x s SER 939 CO 0.19 -0.33 1.55 -0.46 1.20 0.00 0.00 173.24 175.38 1h7x n ASN 940 N 4.16 4.00 -0.10 5.45 0.23 -1.26 -4.07 115.26 123.67 1h7x n ASN 940 Ca 0.07 -2.01 -0.14 0.00 -0.53 0.00 0.00 54.58 51.97 1h7x n ASN 940 Cb 0.50 -0.50 -0.14 0.00 -2.08 0.00 0.00 39.78 37.56 1h7x n ASN 940 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1h7x n ILE 941 N 1.67 1.47 -2.48 1.53 2.08 -1.26 -4.65 119.36 117.72 1h7x n ILE 941 Ca 0.25 -0.72 -0.43 0.00 0.56 0.00 0.00 62.75 62.41 1h7x n ILE 941 Cb 0.63 -0.99 0.00 0.00 -0.75 0.00 0.00 39.64 38.53 1h7x n ILE 941 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1h7x n GLU 942 N -3.03 3.23 -2.96 0.38 1.02 -1.26 -4.85 120.64 113.17 1h7x n GLU 942 Ca -0.38 -3.33 -0.24 0.00 -0.02 0.00 0.00 57.16 53.20 1h7x n GLU 942 Cb 1.07 -3.27 0.01 0.00 -0.02 0.00 0.00 31.44 29.23 1h7x n GLU 942 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1h7x s GLN 943 N 2.85 3.17 0.26 3.49 -1.52 -1.26 -4.97 119.66 121.68 1h7x s GLN 943 Ca 0.48 -0.34 0.03 0.00 -1.95 0.00 0.00 55.36 53.58 1h7x s GLN 943 Cb 0.05 -2.53 -0.05 0.00 -0.22 0.00 0.00 33.01 30.26 1h7x s GLN 943 CO 0.02 -0.24 0.04 0.14 -0.25 0.00 0.00 175.29 175.00 1h7x s VAL 944 N -2.58 0.96 0.04 1.09 -7.23 -1.26 -1.35 120.40 110.07 1h7x s VAL 944 Ca 0.47 -2.02 -0.00 0.00 -1.81 0.00 0.00 61.98 58.63 1h7x s VAL 944 Cb -0.10 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 1h7x s VAL 944 CO 0.39 -0.16 -0.04 0.68 -0.31 0.00 0.00 175.10 175.66 1h7x s VAL 945 N -3.47 0.25 0.33 1.32 -7.23 -0.36 -3.25 120.40 107.99 1h7x s VAL 945 Ca 0.33 -1.40 -0.23 0.00 -1.81 0.00 0.00 61.98 58.87 1h7x s VAL 945 Cb 0.07 -0.95 -0.10 0.00 0.56 0.00 0.00 36.38 35.96 1h7x s VAL 945 CO 0.12 -0.73 0.89 0.00 -0.31 0.00 0.00 175.10 175.07 1h7x s ALA 946 N -2.68 3.22 -0.04 1.32 0.00 -1.26 -1.20 121.76 121.12 1h7x s ALA 946 Ca -0.03 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1h7x s ALA 946 Cb -0.01 -3.08 0.03 0.00 0.00 0.00 0.00 23.12 20.05 1h7x s ALA 946 CO -0.05 0.20 -0.00 0.08 0.00 0.00 0.00 175.76 175.99 1h7x s VAL 947 N -1.75 0.23 -0.17 0.00 1.01 -0.08 -4.81 120.40 114.84 1h7x s VAL 947 Ca 0.52 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.50 1h7x s VAL 947 Cb -0.16 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 1h7x s VAL 947 CO 0.20 0.17 0.09 -0.63 0.00 0.00 0.00 175.10 174.94 1h7x s ILE 948 N 1.18 5.06 -0.65 2.22 1.01 -1.26 -1.39 121.20 127.37 1h7x s ILE 948 Ca -0.07 0.06 -0.22 0.00 0.00 0.00 0.00 60.65 60.41 1h7x s ILE 948 Cb -0.13 -3.26 0.08 0.00 0.01 0.00 0.00 42.46 39.15 1h7x s ILE 948 CO -0.02 0.50 0.92 -0.62 0.00 0.00 0.00 174.94 175.72 1h7x s ASP 949 N 0.01 6.18 0.42 3.58 -1.08 0.15 -4.91 116.67 121.01 1h7x s ASP 949 Ca 0.07 -1.07 0.21 0.00 -0.52 0.00 0.00 52.55 51.24 1h7x s ASP 949 Cb -0.12 -2.40 1.18 0.00 -1.46 0.00 0.00 42.92 40.12 1h7x s ASP 949 CO 0.00 -1.38 1.77 -0.08 0.52 0.00 0.00 175.17 176.00 1h7x h GLU 950 N 9.50 0.31 0.00 4.34 4.57 -1.94 -0.77 114.58 130.59 1h7x h GLU 950 Ca -0.29 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.85 1h7x h GLU 950 Cb 1.07 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.59 1h7x h GLU 950 CO 1.17 0.21 -0.10 0.93 -1.18 0.00 0.00 179.01 180.04 1h7x h GLU 951 N 0.32 0.00 0.00 1.92 4.39 -1.95 -3.13 114.58 116.14 1h7x h GLU 951 Ca 0.59 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.29 1h7x h GLU 951 Cb 1.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.29 1h7x h GLU 951 CO -0.26 0.10 -1.48 -1.33 -1.16 0.00 0.00 179.01 174.88 1h7x n MET 952 N -3.28 0.35 -1.99 2.33 2.81 -0.31 -4.56 117.12 112.48 1h7x n MET 952 Ca -0.00 -0.09 -0.41 0.00 -1.81 0.00 0.00 57.70 55.38 1h7x n MET 952 Cb 0.32 -1.52 -0.02 0.00 -0.71 0.00 0.00 33.22 31.29 1h7x n MET 952 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1h7x n ILE 954 N 1.59 2.40 -3.24 0.00 -5.35 -1.26 -4.91 119.36 108.58 1h7x n ILE 954 Ca 0.04 -2.04 -0.23 0.00 -0.27 0.00 0.00 62.75 60.26 1h7x n ILE 954 Cb 0.40 -0.28 0.01 0.00 -1.74 0.00 0.00 39.64 38.03 1h7x n ILE 954 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1h7x n ASN 955 N -0.62 -4.31 0.15 7.28 4.13 -1.26 -4.90 115.26 115.74 1h7x n ASN 955 Ca 0.25 -0.34 0.05 0.00 1.68 0.00 0.00 54.58 56.23 1h7x n ASN 955 Cb 0.96 -3.54 0.05 0.00 -1.54 0.00 0.00 39.78 35.72 1h7x n ASN 955 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1h7x n GLY 957 N 1.20 0.54 0.26 0.00 0.00 -1.26 -4.93 105.19 101.01 1h7x n GLY 957 Ca 0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 46.02 45.62 1h7x n GLY 957 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h7x h LYS 958 N 0.44 0.57 -0.69 1.61 1.57 -1.93 -1.20 116.57 116.94 1h7x h LYS 958 Ca -0.04 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 1h7x h LYS 958 Cb 0.25 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1h7x h LYS 958 CO 0.06 0.67 0.29 0.00 -0.57 0.00 0.00 179.45 179.91 1h7x h TYR 960 N 0.97 0.14 -0.53 0.00 3.20 -1.84 -1.60 116.97 117.31 1h7x h TYR 960 Ca 0.23 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.01 1h7x h TYR 960 Cb 0.18 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1h7x h TYR 960 CO 0.01 0.19 -0.00 0.52 -1.64 0.00 0.00 178.16 177.24 1h7x h MET 961 N 0.05 0.90 -0.36 1.82 2.86 -1.01 -0.65 114.93 118.54 1h7x h MET 961 Ca 0.03 -0.26 -0.15 0.00 -2.06 0.00 0.00 59.70 57.26 1h7x h MET 961 Cb 0.11 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1h7x h MET 961 CO -0.00 0.90 -0.39 0.00 1.06 0.00 0.00 176.91 178.48 1h7x h THR 962 N 0.83 1.28 -0.03 2.22 1.03 -1.04 -1.70 112.91 115.50 1h7x h THR 962 Ca 0.16 -1.56 -0.13 0.00 -0.01 0.00 0.00 66.41 64.87 1h7x h THR 962 Cb 0.50 1.41 -0.02 0.00 -1.07 0.00 0.00 68.15 68.98 1h7x h THR 962 CO 0.02 0.52 -0.57 0.00 -0.01 0.00 0.00 175.52 175.49 1h7x h ASN 964 N 0.07 -0.05 -0.12 0.00 2.35 -0.92 -0.83 115.58 116.08 1h7x h ASN 964 Ca -0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 1h7x h ASN 964 Cb 1.02 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.40 1h7x h ASN 964 CO 0.08 0.47 0.00 0.47 -1.65 0.00 0.00 177.43 176.80 1h7x n ASP 965 N -4.87 3.06 0.00 5.81 8.00 -0.66 -4.40 116.55 123.49 1h7x n ASP 965 Ca -0.09 -1.97 0.00 0.00 0.71 0.00 0.00 54.79 53.45 1h7x n ASP 965 Cb 0.27 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 1h7x n ASP 965 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1h7x n SER 966 N 1.34 0.00 0.00 -2.24 7.64 0.30 -5.05 113.62 115.60 1h7x n SER 966 Ca 0.15 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 59.03 1h7x n SER 966 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1h7x n SER 966 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h7x n GLY 967 N 0.00 4.57 0.19 0.23 0.00 -0.41 -4.85 105.19 104.92 1h7x n GLY 967 Ca 0.00 -0.61 0.08 0.00 0.00 0.00 0.00 46.02 45.49 1h7x n GLY 967 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1h7x n TYR 968 N 0.00 0.00 -4.14 1.61 4.02 -0.69 -4.89 117.16 113.06 1h7x n TYR 968 Ca 0.00 -0.92 -0.31 0.00 -0.01 0.00 0.00 57.90 56.66 1h7x n TYR 968 Cb 0.00 -0.15 -0.04 0.00 -0.02 0.00 0.00 39.34 39.13 1h7x n TYR 968 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1h7x n GLN 969 N -1.21 -2.77 -0.07 -0.72 3.00 -0.64 -4.86 117.38 110.12 1h7x n GLN 969 Ca 0.14 0.33 0.12 0.00 -0.01 0.00 0.00 57.00 57.58 1h7x n GLN 969 Cb 0.66 -4.62 0.15 0.00 0.00 0.00 0.00 30.24 26.42 1h7x n GLN 969 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1h7x n ALA 970 N -4.41 2.45 -2.81 -1.58 0.00 -1.26 -4.94 120.51 107.95 1h7x n ALA 970 Ca -0.14 -0.80 -0.34 0.00 0.00 0.00 0.00 53.44 52.16 1h7x n ALA 970 Cb 0.60 -0.84 -0.12 0.00 0.00 0.00 0.00 19.45 19.09 1h7x n ALA 970 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1h7x s ILE 971 N -1.82 3.83 -0.17 0.00 1.01 -1.26 -0.49 121.20 122.30 1h7x s ILE 971 Ca 0.32 -0.40 -0.11 0.00 0.00 0.00 0.00 60.65 60.46 1h7x s ILE 971 Cb 0.21 -2.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 1h7x s ILE 971 CO 0.31 0.54 0.20 -1.10 0.00 0.00 0.00 174.94 174.89 1h7x s GLN 972 N -0.15 4.10 -0.31 2.79 -0.21 -0.22 -4.91 119.66 120.75 1h7x s GLN 972 Ca 0.03 -0.08 -0.00 0.00 0.02 0.00 0.00 55.36 55.33 1h7x s GLN 972 Cb -0.13 -3.38 0.07 0.00 1.00 0.00 0.00 33.01 30.56 1h7x s GLN 972 CO 0.03 0.36 0.01 0.12 -2.12 0.00 0.00 175.29 173.68 1h7x s PHE 973 N 0.16 3.37 0.16 0.91 5.36 -1.26 -0.48 117.98 126.20 1h7x s PHE 973 Ca 0.12 -2.18 -0.32 0.00 -0.96 0.00 0.00 56.93 53.60 1h7x s PHE 973 Cb -0.12 -2.32 -0.11 0.00 -0.34 0.00 0.00 43.02 40.13 1h7x s PHE 973 CO 0.01 -0.86 1.80 -3.47 -1.46 0.00 0.00 175.22 171.24 1h7x n ASP 974 N 4.53 4.03 0.16 6.13 2.03 -0.72 -4.89 116.55 127.83 1h7x n ASP 974 Ca -0.10 1.02 0.13 0.00 0.52 0.00 0.00 54.79 56.36 1h7x n ASP 974 Cb 0.43 -1.56 0.56 0.00 -0.72 0.00 0.00 41.12 39.83 1h7x n ASP 974 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1h7x h PRO 975 N 7.86 0.00 0.00 -0.67 0.13 -1.98 0.29 132.00 137.63 1h7x h PRO 975 Ca -0.45 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.34 1h7x h PRO 975 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1h7x h PRO 975 CO 0.95 0.00 -2.20 0.39 -0.23 0.00 0.00 178.00 176.92 1h7x n GLU 976 N -2.39 0.48 0.03 0.86 -0.58 -1.26 -4.68 120.64 113.10 1h7x n GLU 976 Ca 0.01 0.17 0.11 0.00 -0.42 0.00 0.00 57.16 57.03 1h7x n GLU 976 Cb 0.20 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 1h7x n GLU 976 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1h7x n THR 977 N -3.58 0.18 -3.72 2.62 -2.24 -1.25 -4.97 114.28 101.32 1h7x n THR 977 Ca -0.40 -0.27 -0.27 0.00 -2.27 0.00 0.00 64.05 60.84 1h7x n THR 977 Cb 0.84 0.19 0.05 0.00 -2.10 0.00 0.00 70.33 69.31 1h7x n THR 977 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1h7x n HIS 978 N -2.01 -2.55 -4.35 4.78 8.25 0.09 -4.79 115.22 114.65 1h7x n HIS 978 Ca 0.01 0.93 -0.34 0.00 -0.26 0.00 0.00 57.72 58.06 1h7x n HIS 978 Cb 0.45 -4.46 -0.11 0.00 1.12 0.00 0.00 29.99 26.98 1h7x n HIS 978 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1h7x s LEU 979 N -7.26 3.39 0.26 2.41 1.43 -1.26 -4.33 118.68 113.33 1h7x s LEU 979 Ca 0.61 -0.04 -0.09 0.00 -1.03 0.00 0.00 54.13 53.58 1h7x s LEU 979 Cb -0.29 -1.81 -0.07 0.00 0.03 0.00 0.00 46.19 44.05 1h7x s LEU 979 CO 0.75 0.22 0.58 -2.16 0.23 0.00 0.00 176.35 175.97 1h7x s PRO 980 N 0.09 3.77 -0.06 1.29 0.04 -1.26 -1.75 135.00 137.13 1h7x s PRO 980 Ca 0.01 0.25 -0.01 0.00 0.04 0.00 0.00 61.00 61.28 1h7x s PRO 980 Cb -0.13 -2.62 0.03 0.00 0.04 0.00 0.00 34.50 31.82 1h7x s PRO 980 CO 0.02 0.26 0.00 0.99 0.04 0.00 0.00 177.00 178.31 1h7x s THR 981 N -1.93 0.30 -0.05 1.26 2.01 0.37 -4.95 115.64 112.66 1h7x s THR 981 Ca 0.47 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 62.30 1h7x s THR 981 Cb -0.11 -0.45 -0.02 0.00 0.01 0.00 0.00 72.50 71.93 1h7x s THR 981 CO 0.24 0.23 1.03 -0.69 -0.69 0.00 0.00 174.62 174.74 1h7x s VAL 982 N 1.74 4.71 0.68 3.82 1.01 -1.26 -1.05 120.40 130.04 1h7x s VAL 982 Ca 0.01 1.96 0.03 0.00 0.00 0.00 0.00 61.98 63.98 1h7x s VAL 982 Cb -0.13 -4.26 0.13 0.00 0.00 0.00 0.00 36.38 32.12 1h7x s VAL 982 CO -0.04 0.07 0.93 0.35 0.00 0.00 0.00 175.10 176.41 1h7x n THR 983 N 4.26 0.00 0.38 3.92 -2.24 0.36 -4.98 114.28 115.98 1h7x n THR 983 Ca 0.08 -1.71 0.06 0.00 -2.27 0.00 0.00 64.05 60.21 1h7x n THR 983 Cb 0.49 -0.75 0.27 0.00 -2.10 0.00 0.00 70.33 68.23 1h7x n THR 983 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1h7x n ASP 984 N -2.70 0.06 -0.23 3.42 -0.08 -1.26 -2.61 116.55 113.15 1h7x n ASP 984 Ca 0.17 0.52 0.14 0.00 -1.51 0.00 0.00 54.79 54.11 1h7x n ASP 984 Cb 0.60 -0.53 0.71 0.00 2.34 0.00 0.00 41.12 44.23 1h7x n ASP 984 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1h7x n THR 985 N -1.57 0.02 -1.77 5.18 -2.24 -1.26 -4.90 114.28 107.74 1h7x n THR 985 Ca 0.03 -0.12 -0.41 0.00 -2.27 0.00 0.00 64.05 61.27 1h7x n THR 985 Cb 0.14 -0.02 -0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1h7x n THR 985 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h7x n THR 987 N 0.69 0.06 -1.31 0.00 -2.24 -1.26 -4.95 114.28 105.27 1h7x n THR 987 Ca 0.02 -0.53 -0.07 0.00 -2.27 0.00 0.00 64.05 61.20 1h7x n THR 987 Cb 0.38 1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 69.76 1h7x n THR 987 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h7x n GLY 988 N 0.60 0.87 0.37 3.38 0.00 -1.20 -4.77 105.19 104.43 1h7x n GLY 988 Ca 0.07 -0.69 0.19 0.00 0.00 0.00 0.00 46.02 45.58 1h7x n GLY 988 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h7x n THR 990 N -4.37 0.00 -0.23 0.00 -1.04 -1.26 -4.96 114.28 102.42 1h7x n THR 990 Ca 0.08 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.03 1h7x n THR 990 Cb 0.54 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 69.15 1h7x n THR 990 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1h7x h LEU 991 N 0.00 1.00 -0.25 -4.42 3.38 -1.97 -2.33 115.31 110.72 1h7x h LEU 991 Ca 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1h7x h LEU 991 Cb 0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1h7x h LEU 991 CO 0.00 0.95 0.16 0.00 0.09 0.00 0.00 178.44 179.64 1h7x h LEU 993 N 0.34 0.99 -1.75 0.00 6.46 -1.90 -1.96 115.31 117.49 1h7x h LEU 993 Ca 0.09 -0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.77 1h7x h LEU 993 Cb -0.03 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 39.65 1h7x h LEU 993 CO -0.02 0.75 -0.13 0.28 -0.62 0.00 0.00 178.44 178.71 1h7x h SER 994 N 1.14 0.00 -0.01 1.25 0.02 -0.79 -3.06 113.55 112.11 1h7x h SER 994 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1h7x h SER 994 Cb -0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1h7x h SER 994 CO -0.06 0.13 -0.44 1.33 -1.14 0.00 0.00 176.83 176.65 1h7x n VAL 995 N -3.49 0.00 -2.04 2.27 0.24 -0.72 -4.99 118.33 109.60 1h7x n VAL 995 Ca -0.01 -0.28 -0.42 0.00 -2.04 0.00 0.00 64.34 61.59 1h7x n VAL 995 Cb 0.28 1.13 -0.03 0.00 -1.47 0.00 0.00 33.84 33.75 1h7x n VAL 995 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1h7x h PRO 997 N 6.77 0.00 -4.79 0.00 0.13 -1.92 -3.42 132.00 128.76 1h7x h PRO 997 Ca -0.42 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.04 1h7x h PRO 997 Cb 1.21 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.15 1h7x h PRO 997 CO 0.89 0.00 -0.51 0.42 -0.23 0.00 0.00 178.00 178.57 1h7x s ILE 998 N -3.40 5.15 0.13 -3.56 -1.09 -1.26 -5.04 121.20 112.12 1h7x s ILE 998 Ca 0.04 -0.12 -0.32 0.00 -2.23 0.00 0.00 60.65 58.02 1h7x s ILE 998 Cb 0.09 -3.57 -0.11 0.00 -1.58 0.00 0.00 42.46 37.29 1h7x s ILE 998 CO 0.48 0.10 1.79 -0.38 -1.23 0.00 0.00 174.94 175.70 1h7x n ILE 999 N 5.07 0.27 -1.39 2.92 5.41 -1.26 -2.11 119.36 128.27 1h7x n ILE 999 Ca -0.13 -0.05 -0.13 0.00 1.00 0.00 0.00 62.75 63.43 1h7x n ILE 999 Cb 0.50 -2.01 -0.06 0.00 -0.71 0.00 0.00 39.64 37.37 1h7x n ILE 999 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1h7x n ASP 1000N 5.15 -4.90 -0.02 4.38 8.00 -1.26 -4.86 116.55 123.04 1h7x n ASP 1000Ca 0.18 0.33 -0.14 0.00 0.71 0.00 0.00 54.79 55.87 1h7x n ASP 1000Cb 0.35 -3.58 -0.03 0.00 -0.02 0.00 0.00 41.12 37.85 1h7x n ASP 1000CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h7x s ILE 1002N -3.84 4.10 0.04 0.00 1.01 -1.26 -0.67 121.20 120.58 1h7x s ILE 1002Ca -0.09 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.27 1h7x s ILE 1002Cb 0.10 -2.73 -0.02 0.00 0.01 0.00 0.00 42.46 39.81 1h7x s ILE 1002CO 0.88 0.58 -0.08 -0.13 0.00 0.00 0.00 174.94 176.19 1h7x s ARG 1003N -0.57 0.54 -0.19 2.79 0.52 -0.49 -4.95 118.95 116.61 1h7x s ARG 1003Ca 0.09 -0.70 -0.15 0.00 -0.52 0.00 0.00 55.73 54.45 1h7x s ARG 1003Cb -0.12 -0.34 -0.04 0.00 0.52 0.00 0.00 34.95 34.97 1h7x s ARG 1003CO 0.02 0.07 0.35 -1.64 0.02 0.00 0.00 175.30 174.11 1h7x s MET 1004N -1.42 4.20 0.19 3.54 -1.94 -1.26 -0.90 119.30 121.70 1h7x s MET 1004Ca -0.08 0.13 0.09 0.00 -1.71 0.00 0.00 55.69 54.12 1h7x s MET 1004Cb -0.09 -3.50 -0.04 0.00 2.01 0.00 0.00 34.83 33.21 1h7x s MET 1004CO 0.00 0.06 -0.19 0.14 -0.01 0.00 0.00 175.02 175.03 1h7x s VAL 1005N 1.01 1.97 0.22 -6.03 -7.23 -0.34 -4.91 120.40 105.08 1h7x s VAL 1005Ca 0.17 -2.03 -0.32 0.00 -1.81 0.00 0.00 61.98 57.99 1h7x s VAL 1005Cb -0.14 -1.97 -0.14 0.00 0.56 0.00 0.00 36.38 34.69 1h7x s VAL 1005CO 0.06 -0.33 1.38 -1.20 -0.31 0.00 0.00 175.10 174.70 1h7x n SER 1006N 0.09 2.53 -4.77 4.85 7.64 -1.26 -1.23 113.62 121.47 1h7x n SER 1006Ca -0.11 1.14 -0.40 0.00 1.01 0.00 0.00 58.87 60.50 1h7x n SER 1006Cb 0.58 -1.39 -0.03 0.00 -1.01 0.00 0.00 64.21 62.36 1h7x n SER 1006CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1h7x s ARG 1007N -0.28 4.36 -0.00 1.43 3.52 -0.46 -4.75 118.95 122.77 1h7x s ARG 1007Ca 0.70 2.00 0.12 0.00 -0.13 0.00 0.00 55.73 58.42 1h7x s ARG 1007Cb -0.69 -3.00 -0.22 0.00 -1.56 0.00 0.00 34.95 29.48 1h7x s ARG 1007CO 0.49 -0.10 0.79 1.79 -0.81 0.00 0.00 175.30 177.46 1h7x h THR 1008N 2.87 0.98 -3.83 4.11 1.35 -1.90 -3.47 112.91 113.01 1h7x h THR 1008Ca -0.48 -2.79 -0.68 0.00 -0.55 0.00 0.00 66.41 61.91 1h7x h THR 1008Cb 1.22 2.47 -0.24 0.00 -1.73 0.00 0.00 68.15 69.88 1h7x h THR 1008CO 0.65 0.56 -0.76 -0.89 -0.25 0.00 0.00 175.52 174.83 1h7x s THR 1009N -2.64 3.12 -0.01 6.82 2.01 -1.26 -5.07 115.64 118.61 1h7x s THR 1009Ca -0.03 -0.69 -0.39 0.00 0.31 0.00 0.00 61.69 60.89 1h7x s THR 1009Cb 0.08 -2.25 -0.18 0.00 0.01 0.00 0.00 72.50 70.16 1h7x s THR 1009CO 0.82 0.58 1.24 -2.65 -0.69 0.00 0.00 174.62 173.92 1h7x n PRO 1010N 2.59 0.51 -2.38 4.92 -0.02 -1.26 -4.87 135.00 134.48 1h7x n PRO 1010Ca -0.17 0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 61.07 1h7x n PRO 1010Cb 0.52 -1.75 -0.03 0.00 -0.02 0.00 0.00 33.50 32.22 1h7x n PRO 1010CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1h7x s TYR 1011N 0.53 3.42 -0.28 6.00 5.04 -1.26 -5.02 117.35 125.78 1h7x s TYR 1011Ca 0.90 1.31 0.03 0.00 -2.44 0.00 0.00 57.07 56.87 1h7x s TYR 1011Cb -1.15 -3.45 0.07 0.00 0.35 0.00 0.00 41.96 37.78 1h7x s TYR 1011CO 0.55 -1.36 -0.06 -1.21 -1.34 0.00 0.00 175.55 172.13 1h7x s GLU 1012N 0.58 1.95 0.31 4.97 0.41 -1.26 -5.10 118.70 120.56 1h7x s GLU 1012Ca 0.57 -1.46 -0.29 0.00 -0.41 0.00 0.00 54.97 53.37 1h7x s GLU 1012Cb -0.31 -2.94 -0.12 0.00 -1.78 0.00 0.00 34.13 28.97 1h7x s GLU 1012CO 0.32 -0.68 1.41 -2.30 -0.49 0.00 0.00 175.26 173.51 1h7x n PRO 1013N 4.41 2.27 -2.70 0.39 -0.02 -1.26 -4.91 135.00 133.18 1h7x n PRO 1013Ca -0.09 0.80 -0.43 0.00 -2.02 0.00 0.00 63.50 61.77 1h7x n PRO 1013Cb 0.42 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 1h7x n PRO 1013CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1h7x s LYS 1014N -1.20 3.75 0.00 -0.52 2.20 -1.26 -4.89 119.74 117.82 1h7x s LYS 1014Ca 0.61 0.54 0.24 0.00 -0.36 0.00 0.00 55.97 56.99 1h7x s LYS 1014Cb -0.57 -3.87 0.27 0.00 -1.51 0.00 0.00 37.83 32.15 1h7x s LYS 1014CO 0.56 -1.20 1.25 0.54 -0.36 0.00 0.00 175.35 176.14 1h7x n ARG 1015N 7.36 0.35 0.00 4.03 5.12 -1.26 -4.96 116.66 127.30 1h7x n ARG 1015Ca 0.10 -0.25 0.00 0.00 -1.93 0.00 0.00 57.85 55.77 1h7x n ARG 1015Cb 0.48 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.29 1h7x n ARG 1015CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1h7x n GLY 1016N 1.46 0.87 3.51 -0.13 0.00 -1.26 -4.78 105.19 104.86 1h7x n GLY 1016Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 1h7x n GLY 1016CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h7x s LEU 1017N 0.00 -0.49 0.32 0.99 1.43 -1.26 -5.09 118.68 114.57 1h7x s LEU 1017Ca 0.00 1.27 -0.10 0.00 -1.03 0.00 0.00 54.13 54.27 1h7x s LEU 1017Cb 0.00 2.06 -0.08 0.00 0.03 0.00 0.00 46.19 48.20 1h7x s LEU 1017CO 0.00 -0.22 -0.13 -2.65 0.23 0.00 0.00 176.35 173.58 1h7x n PRO 1018N 3.51 0.00 -4.19 1.29 -0.02 -1.26 -4.95 135.00 129.39 1h7x n PRO 1018Ca -0.17 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 60.96 1h7x n PRO 1018Cb 0.57 -0.55 -0.11 0.00 -0.02 0.00 0.00 33.50 33.39 1h7x n PRO 1018CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1h7x s LEU 1019N 3.01 3.47 0.00 2.45 2.96 -1.26 -5.16 118.68 124.15 1h7x s LEU 1019Ca 0.30 -0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 1h7x s LEU 1019Cb -0.25 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.58 1h7x s LEU 1019CO 0.38 0.15 0.30 0.00 -1.32 0.00 0.00 176.35 175.86