#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oi6 s ALA 5 N 0.00 3.28 -0.12 5.20 0.00 -1.26 -4.94 121.76 123.92 2oi6 s ALA 5 Ca 0.00 0.87 -0.09 0.00 0.00 0.00 0.00 51.96 52.74 2oi6 s ALA 5 Cb 0.00 -3.32 0.04 0.00 0.00 0.00 0.00 23.12 19.83 2oi6 s ALA 5 CO 0.00 -0.25 0.30 1.41 0.00 0.00 0.00 175.76 177.22 2oi6 s MET 6 N -1.88 0.31 0.28 0.00 1.75 -1.26 -0.31 119.30 118.19 2oi6 s MET 6 Ca 0.50 0.50 0.12 0.00 -1.25 0.00 0.00 55.69 55.56 2oi6 s MET 6 Cb -0.29 0.06 -0.05 0.00 2.84 0.00 0.00 34.83 37.39 2oi6 s MET 6 CO 0.37 -0.09 -0.20 -1.12 -0.65 0.00 0.00 175.02 173.33 2oi6 s SER 7 N 0.64 3.56 0.01 1.11 0.01 0.47 -0.90 113.70 118.61 2oi6 s SER 7 Ca -0.04 -1.03 0.08 0.00 1.31 0.00 0.00 55.95 56.27 2oi6 s SER 7 Cb -0.05 -0.30 -0.02 0.00 0.21 0.00 0.00 66.02 65.86 2oi6 s SER 7 CO -0.04 0.03 -0.26 -0.69 0.41 0.00 0.00 173.24 172.69 2oi6 s VAL 8 N -2.52 2.06 -0.10 3.43 1.01 -0.40 -1.33 120.40 122.54 2oi6 s VAL 8 Ca 0.30 -1.22 0.03 0.00 0.00 0.00 0.00 61.98 61.09 2oi6 s VAL 8 Cb -0.05 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 2oi6 s VAL 8 CO 0.15 0.48 -0.19 -0.69 0.00 0.00 0.00 175.10 174.85 2oi6 s VAL 9 N -0.69 2.50 -0.26 2.92 1.01 0.38 -0.26 120.40 126.00 2oi6 s VAL 9 Ca 0.11 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 2oi6 s VAL 9 Cb -0.10 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 34.32 2oi6 s VAL 9 CO 0.00 0.55 -0.04 -0.63 0.00 0.00 0.00 175.10 174.98 2oi6 s ILE 10 N 0.24 2.89 -0.23 2.22 1.01 0.15 -1.15 121.20 126.32 2oi6 s ILE 10 Ca -0.13 -1.15 -0.27 0.00 0.00 0.00 0.00 60.65 59.10 2oi6 s ILE 10 Cb -0.16 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.77 2oi6 s ILE 10 CO 0.07 0.10 0.94 -0.76 0.00 0.00 0.00 174.94 175.28 2oi6 s LEU 11 N 1.30 4.10 -0.06 2.97 1.43 -0.26 -1.36 118.68 126.81 2oi6 s LEU 11 Ca -0.02 1.23 0.22 0.00 -1.03 0.00 0.00 54.13 54.53 2oi6 s LEU 11 Cb -0.18 -3.37 0.40 0.00 0.03 0.00 0.00 46.19 43.07 2oi6 s LEU 11 CO -0.03 -0.58 1.15 0.00 0.23 0.00 0.00 176.35 177.12 2oi6 n ALA 12 N 6.06 2.56 1.00 4.21 0.00 -0.36 -0.79 120.51 133.18 2oi6 n ALA 12 Ca 0.09 -2.22 0.12 0.00 0.00 0.00 0.00 53.44 51.42 2oi6 n ALA 12 Cb 0.47 -0.73 0.07 0.00 0.00 0.00 0.00 19.45 19.26 2oi6 n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oi6 n ALA 13 N 0.19 2.77 -1.59 0.00 0.00 -0.97 -4.51 120.51 116.40 2oi6 n ALA 13 Ca 0.02 -0.68 -0.33 0.00 0.00 0.00 0.00 53.44 52.45 2oi6 n ALA 13 Cb 1.03 -0.80 0.03 0.00 0.00 0.00 0.00 19.45 19.71 2oi6 n ALA 13 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2oi6 s GLY 14 N -2.13 2.23 -0.09 0.00 0.00 -1.26 -4.30 107.32 101.77 2oi6 s GLY 14 Ca 0.25 0.56 -0.23 0.00 0.00 0.00 0.00 44.72 45.30 2oi6 s GLY 14 CO 0.38 0.90 0.70 0.54 0.00 0.00 0.00 173.10 175.62 2oi6 s LYS 15 N -3.95 4.39 -1.26 2.90 1.02 -1.26 -4.99 119.74 116.59 2oi6 s LYS 15 Ca 0.67 0.85 -0.06 0.00 0.02 0.00 0.00 55.97 57.46 2oi6 s LYS 15 Cb -0.20 -3.48 0.17 0.00 -0.52 0.00 0.00 37.83 33.81 2oi6 s LYS 15 CO 0.38 -0.01 2.14 0.41 -0.92 0.00 0.00 175.35 177.34 2oi6 n GLY 16 N 3.22 5.24 0.19 -3.33 0.00 -1.26 -4.86 105.19 104.40 2oi6 n GLY 16 Ca -0.01 -2.18 -0.06 0.00 0.00 0.00 0.00 46.02 43.78 2oi6 n GLY 16 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2oi6 h THR 17 N 2.86 1.00 0.00 2.61 2.02 -1.94 -2.99 112.91 116.47 2oi6 h THR 17 Ca 0.58 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.58 2oi6 h THR 17 Cb 0.40 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 2oi6 h THR 17 CO 1.46 0.09 0.00 0.54 0.37 0.00 0.00 175.52 177.99 2oi6 n ARG 18 N -4.87 0.69 0.04 6.66 3.00 -1.26 -2.81 116.66 118.11 2oi6 n ARG 18 Ca 0.03 0.00 0.06 0.00 -0.01 0.00 0.00 57.85 57.93 2oi6 n ARG 18 Cb 0.10 -1.12 -0.08 0.00 0.00 0.00 0.00 32.46 31.36 2oi6 n ARG 18 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 2oi6 n MET 19 N -0.27 0.63 -3.72 5.56 2.81 -1.13 -4.44 117.12 116.55 2oi6 n MET 19 Ca 0.00 0.08 -0.28 0.00 -1.81 0.00 0.00 57.70 55.69 2oi6 n MET 19 Cb 0.06 -1.73 0.03 0.00 -0.71 0.00 0.00 33.22 30.87 2oi6 n MET 19 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2oi6 n TYR 20 N -2.66 -1.88 -4.14 2.03 4.02 -1.13 -4.85 117.16 108.55 2oi6 n TYR 20 Ca -0.07 0.60 -0.13 0.00 -0.01 0.00 0.00 57.90 58.29 2oi6 n TYR 20 Cb 0.69 -3.71 -0.11 0.00 -0.02 0.00 0.00 39.34 36.20 2oi6 n TYR 20 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2oi6 s SER 21 N -3.82 1.24 0.00 7.72 0.15 -1.26 -5.00 113.70 112.73 2oi6 s SER 21 Ca 0.29 -0.77 0.24 0.00 0.70 0.00 0.00 55.95 56.41 2oi6 s SER 21 Cb -0.10 0.03 0.59 0.00 -1.71 0.00 0.00 66.02 64.84 2oi6 s SER 21 CO 0.85 -0.28 1.48 0.47 1.20 0.00 0.00 173.24 176.97 2oi6 n ASP 22 N 0.71 2.40 -4.54 5.45 8.00 -1.26 -4.85 116.55 122.45 2oi6 n ASP 22 Ca -0.17 -1.80 -0.34 0.00 0.71 0.00 0.00 54.79 53.19 2oi6 n ASP 22 Cb 0.57 -0.07 -0.11 0.00 -0.02 0.00 0.00 41.12 41.49 2oi6 n ASP 22 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2oi6 s LEU 23 N -1.81 3.47 0.19 0.64 2.96 -1.26 -5.06 118.68 117.81 2oi6 s LEU 23 Ca 0.34 -0.06 -0.32 0.00 -0.22 0.00 0.00 54.13 53.87 2oi6 s LEU 23 Cb 0.20 -1.86 -0.16 0.00 0.50 0.00 0.00 46.19 44.88 2oi6 s LEU 23 CO 0.31 0.16 1.09 -2.65 -1.32 0.00 0.00 176.35 173.93 2oi6 n PRO 24 N 3.61 1.08 -0.24 0.98 -0.02 -1.26 -4.86 135.00 134.29 2oi6 n PRO 24 Ca -0.17 0.38 -0.01 0.00 -2.02 0.00 0.00 63.50 61.68 2oi6 n PRO 24 Cb 0.52 -1.82 0.05 0.00 -0.02 0.00 0.00 33.50 32.23 2oi6 n PRO 24 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2oi6 h LYS 25 N 2.95 -0.06 0.00 -0.52 3.64 -1.94 -0.45 116.57 120.19 2oi6 h LYS 25 Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 2oi6 h LYS 25 Cb 1.35 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 2oi6 h LYS 25 CO 0.67 -0.04 0.00 1.33 -2.27 0.00 0.00 179.45 179.14 2oi6 n VAL 26 N -5.47 1.56 0.83 2.00 0.24 -1.26 -1.28 118.33 114.95 2oi6 n VAL 26 Ca 0.08 0.42 0.12 0.00 -2.04 0.00 0.00 64.34 62.91 2oi6 n VAL 26 Cb 0.37 -1.33 0.23 0.00 -1.47 0.00 0.00 33.84 31.64 2oi6 n VAL 26 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2oi6 n LEU 27 N -1.57 0.55 -4.76 1.34 4.77 -0.18 -1.43 117.00 115.72 2oi6 n LEU 27 Ca 0.01 0.10 -0.41 0.00 -0.03 0.00 0.00 56.01 55.68 2oi6 n LEU 27 Cb 0.07 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 40.91 2oi6 n LEU 27 CO 0.06 0.05 1.10 -1.00 -1.33 0.00 0.00 177.39 176.27 2oi6 s HIS 28 N -3.07 2.87 0.39 -1.77 3.76 -0.41 -4.50 115.29 112.56 2oi6 s HIS 28 Ca 0.09 1.14 -0.10 0.00 -0.15 0.00 0.00 55.06 56.05 2oi6 s HIS 28 Cb 0.16 -3.87 -0.06 0.00 1.11 0.00 0.00 32.58 29.92 2oi6 s HIS 28 CO 0.71 -2.66 0.74 0.95 -0.85 0.00 0.00 174.74 173.62 2oi6 s THR 29 N -0.65 4.82 -0.04 1.30 -4.23 -1.26 -1.01 115.64 114.58 2oi6 s THR 29 Ca 0.55 0.53 -0.00 0.00 -1.18 0.00 0.00 61.69 61.59 2oi6 s THR 29 Cb -0.43 -3.74 0.03 0.00 1.34 0.00 0.00 72.50 69.70 2oi6 s THR 29 CO 0.52 -0.50 0.01 -0.22 -0.54 0.00 0.00 174.62 173.89 2oi6 s LEU 30 N -3.83 0.92 -1.57 4.79 0.20 0.17 -4.76 118.68 114.60 2oi6 s LEU 30 Ca 0.50 -0.01 -0.15 0.00 0.69 0.00 0.00 54.13 55.16 2oi6 s LEU 30 Cb -0.10 -0.23 0.10 0.00 -0.43 0.00 0.00 46.19 45.53 2oi6 s LEU 30 CO 0.31 -0.14 0.95 0.00 -0.29 0.00 0.00 176.35 177.18 2oi6 n ALA 31 N 4.46 -1.27 -0.98 5.97 0.00 -1.26 -1.44 120.51 126.00 2oi6 n ALA 31 Ca -0.20 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2oi6 n ALA 31 Cb 0.50 -4.32 0.00 0.00 0.00 0.00 0.00 19.45 15.64 2oi6 n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oi6 n GLY 32 N -1.63 0.46 3.00 0.00 0.00 -1.26 -4.22 105.19 101.54 2oi6 n GLY 32 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 2oi6 n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2oi6 s LYS 33 N -0.43 0.64 0.27 1.61 2.20 -0.52 -5.00 119.74 118.52 2oi6 s LYS 33 Ca 0.00 -0.28 -0.29 0.00 -0.36 0.00 0.00 55.97 55.04 2oi6 s LYS 33 Cb 0.00 -0.62 -0.14 0.00 -1.51 0.00 0.00 37.83 35.56 2oi6 s LYS 33 CO 0.00 0.16 1.20 0.00 -0.36 0.00 0.00 175.35 176.35 2oi6 n ALA 34 N 2.91 0.38 -0.22 3.13 0.00 -1.26 0.46 120.51 125.91 2oi6 n ALA 34 Ca -0.13 0.40 0.02 0.00 0.00 0.00 0.00 53.44 53.73 2oi6 n ALA 34 Cb 0.57 -2.14 0.14 0.00 0.00 0.00 0.00 19.45 18.02 2oi6 n ALA 34 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2oi6 h MET 35 N 2.87 0.29 0.00 0.00 4.05 -0.76 0.61 114.93 121.99 2oi6 h MET 35 Ca -0.43 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 58.91 2oi6 h MET 35 Cb 1.31 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 32.04 2oi6 h MET 35 CO 0.66 0.19 -0.29 -0.24 0.23 0.00 0.00 176.91 177.46 2oi6 h VAL 36 N 0.29 0.87 -0.50 -5.77 3.04 -1.30 -2.32 116.25 110.57 2oi6 h VAL 36 Ca 0.35 -1.15 -0.11 0.00 -1.01 0.00 0.00 66.70 64.79 2oi6 h VAL 36 Cb 0.54 1.69 -0.02 0.00 -2.01 0.00 0.00 31.29 31.49 2oi6 h VAL 36 CO -0.43 0.29 -0.13 -0.61 -1.01 0.00 0.00 177.57 175.68 2oi6 h GLN 37 N 0.00 0.94 -0.96 4.17 5.75 -1.16 -0.53 115.11 123.32 2oi6 h GLN 37 Ca -0.00 -0.34 0.10 0.00 -0.15 0.00 0.00 58.65 58.26 2oi6 h GLN 37 Cb 0.66 -0.06 -0.08 0.00 1.07 0.00 0.00 27.48 29.07 2oi6 h GLN 37 CO 0.04 1.00 0.60 0.45 -2.65 0.00 0.00 178.83 178.27 2oi6 h HIS 38 N 0.83 1.09 -0.28 3.99 3.86 -0.80 0.19 115.15 124.03 2oi6 h HIS 38 Ca 0.13 0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.20 2oi6 h HIS 38 Cb 0.67 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.79 2oi6 h HIS 38 CO 0.04 0.46 -0.49 0.28 0.86 0.00 0.00 177.93 179.08 2oi6 h VAL 39 N 0.98 1.28 -0.35 2.45 2.07 -1.31 -1.54 116.25 119.83 2oi6 h VAL 39 Ca 0.46 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 2oi6 h VAL 39 Cb 0.40 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 2oi6 h VAL 39 CO -0.24 0.54 0.14 0.40 0.02 0.00 0.00 177.57 178.44 2oi6 h ILE 40 N 0.60 1.18 -0.66 4.57 2.04 -0.70 -0.86 117.51 123.70 2oi6 h ILE 40 Ca 0.02 -0.56 0.04 0.00 1.00 0.00 0.00 64.86 65.36 2oi6 h ILE 40 Cb 1.10 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 38.03 2oi6 h ILE 40 CO 0.11 0.20 0.39 0.44 0.00 0.00 0.00 178.15 179.29 2oi6 h ASP 41 N 0.42 0.61 -0.78 1.72 3.45 -0.53 -0.50 116.42 120.81 2oi6 h ASP 41 Ca 0.12 0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.57 2oi6 h ASP 41 Cb 0.18 -0.11 -0.04 0.00 -0.56 0.00 0.00 39.33 38.80 2oi6 h ASP 41 CO -0.01 0.41 0.42 0.00 -1.57 0.00 0.00 179.24 178.48 2oi6 h ALA 42 N 1.31 1.00 -0.29 3.45 0.00 -1.01 0.14 119.26 123.85 2oi6 h ALA 42 Ca 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2oi6 h ALA 42 Cb 0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2oi6 h ALA 42 CO -0.14 0.52 0.16 0.00 0.00 0.00 0.00 179.25 179.78 2oi6 h ALA 43 N 1.22 0.37 -0.33 0.00 0.00 -0.12 -1.18 119.26 119.22 2oi6 h ALA 43 Ca 0.27 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 2oi6 h ALA 43 Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2oi6 h ALA 43 CO -0.04 -0.09 -0.33 -0.91 0.00 0.00 0.00 179.25 177.87 2oi6 h ASN 44 N 0.35 0.76 0.41 0.00 2.35 -0.90 -1.42 115.58 117.14 2oi6 h ASN 44 Ca 0.10 -0.32 -0.02 0.00 -0.55 0.00 0.00 56.30 55.51 2oi6 h ASN 44 Cb 0.07 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 2oi6 h ASN 44 CO -0.02 1.03 -0.10 -0.08 -1.65 0.00 0.00 177.43 176.61 2oi6 h GLU 45 N 0.61 0.00 0.00 0.81 4.81 -0.59 -1.55 114.58 118.68 2oi6 h GLU 45 Ca 0.06 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2oi6 h GLU 45 Cb 0.86 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.24 2oi6 h GLU 45 CO 0.07 0.10 -0.27 1.25 -0.73 0.00 0.00 179.01 179.44 2oi6 h LEU 46 N 0.00 0.00 0.00 1.64 5.85 -0.72 -3.47 115.31 118.61 2oi6 h LEU 46 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2oi6 h LEU 46 Cb 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2oi6 h LEU 46 CO 0.01 0.08 0.00 0.61 -0.34 0.00 0.00 178.44 178.80 2oi6 n GLY 47 N 1.14 1.60 3.68 3.75 0.00 -0.58 -5.06 105.19 109.71 2oi6 n GLY 47 Ca 0.03 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 2oi6 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi6 n ALA 48 N -0.45 1.36 -0.03 4.61 0.00 -0.58 -4.71 120.51 120.71 2oi6 n ALA 48 Ca 0.00 0.38 -0.14 0.00 0.00 0.00 0.00 53.44 53.68 2oi6 n ALA 48 Cb 0.00 -2.43 -0.11 0.00 0.00 0.00 0.00 19.45 16.92 2oi6 n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oi6 h ALA 49 N 7.17 0.03 -3.82 0.00 0.00 -1.37 -3.45 119.26 117.83 2oi6 h ALA 49 Ca -0.46 -0.38 -0.45 0.00 0.00 0.00 0.00 54.91 53.63 2oi6 h ALA 49 Cb 1.25 -0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.79 2oi6 h ALA 49 CO 0.91 -0.05 -0.79 -1.01 0.00 0.00 0.00 179.25 178.31 2oi6 s HIS 50 N -3.48 1.21 -0.26 0.00 3.76 -1.26 -4.90 115.29 110.35 2oi6 s HIS 50 Ca -0.16 -0.33 0.00 0.00 -0.15 0.00 0.00 55.06 54.42 2oi6 s HIS 50 Cb 0.01 -0.73 0.04 0.00 1.11 0.00 0.00 32.58 33.01 2oi6 s HIS 50 CO 0.71 0.02 -0.07 0.08 -0.85 0.00 0.00 174.74 174.63 2oi6 s VAL 51 N -0.76 2.59 -0.17 -0.90 1.01 0.18 -1.28 120.40 121.08 2oi6 s VAL 51 Ca 0.02 -1.34 -0.19 0.00 0.00 0.00 0.00 61.98 60.48 2oi6 s VAL 51 Cb -0.07 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2oi6 s VAL 51 CO 0.01 0.06 0.51 -1.00 0.00 0.00 0.00 175.10 174.68 2oi6 s HIS 52 N 1.22 3.43 -0.24 5.22 3.76 0.64 0.25 115.29 129.57 2oi6 s HIS 52 Ca -0.04 0.83 -0.02 0.00 -0.15 0.00 0.00 55.06 55.68 2oi6 s HIS 52 Cb -0.18 -2.63 0.02 0.00 1.11 0.00 0.00 32.58 30.89 2oi6 s HIS 52 CO -0.04 0.00 -0.06 -1.17 -0.85 0.00 0.00 174.74 172.62 2oi6 s LEU 53 N 1.25 3.12 -0.30 0.89 0.20 -0.11 0.31 118.68 124.03 2oi6 s LEU 53 Ca 0.25 -0.77 -0.14 0.00 0.69 0.00 0.00 54.13 54.16 2oi6 s LEU 53 Cb -0.15 -1.68 -0.03 0.00 -0.43 0.00 0.00 46.19 43.90 2oi6 s LEU 53 CO 0.10 -0.11 0.34 -0.69 -0.29 0.00 0.00 176.35 175.70 2oi6 s VAL 54 N 1.36 5.19 0.22 1.68 1.01 -0.46 -0.44 120.40 128.96 2oi6 s VAL 54 Ca 0.02 0.31 0.06 0.00 0.00 0.00 0.00 61.98 62.36 2oi6 s VAL 54 Cb -0.16 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 2oi6 s VAL 54 CO -0.04 0.07 -0.09 -0.72 0.00 0.00 0.00 175.10 174.32 2oi6 s TYR 55 N 2.01 1.67 -0.03 5.22 -0.85 -0.21 -1.22 117.35 123.93 2oi6 s TYR 55 Ca 0.13 -0.70 0.01 0.00 -0.52 0.00 0.00 57.07 55.99 2oi6 s TYR 55 Cb -0.16 -0.87 -0.03 0.00 0.38 0.00 0.00 41.96 41.28 2oi6 s TYR 55 CO 0.11 0.22 -0.01 0.41 -1.52 0.00 0.00 175.55 174.76 2oi6 n GLY 56 N -0.41 -0.08 3.70 5.49 0.00 -1.26 -0.75 105.19 111.89 2oi6 n GLY 56 Ca -0.07 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 2oi6 n GLY 56 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2oi6 s HIS 57 N -2.06 0.27 -0.72 1.61 2.46 -1.26 -4.78 115.29 110.80 2oi6 s HIS 57 Ca -0.03 -0.72 0.00 0.00 0.47 0.00 0.00 55.06 54.78 2oi6 s HIS 57 Cb 0.01 0.44 0.00 0.00 -0.13 0.00 0.00 32.58 32.90 2oi6 s HIS 57 CO 0.09 -1.23 0.00 0.41 -2.47 0.00 0.00 174.74 171.54 2oi6 n GLY 58 N -0.47 0.84 0.33 1.59 0.00 -1.26 -4.92 105.19 101.30 2oi6 n GLY 58 Ca -0.04 -0.72 0.04 0.00 0.00 0.00 0.00 46.02 45.30 2oi6 n GLY 58 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2oi6 h GLY 59 N 0.00 1.43 0.85 -0.02 0.00 -1.99 0.98 103.07 104.32 2oi6 h GLY 59 Ca -0.14 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 2oi6 h GLY 59 CO 0.21 0.17 -0.21 -1.80 0.00 0.00 0.00 176.54 174.90 2oi6 h ASP 60 N 0.91 -0.54 -0.89 0.19 3.58 -1.99 -0.18 116.42 117.50 2oi6 h ASP 60 Ca 0.43 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.92 2oi6 h ASP 60 Cb 0.38 0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.55 2oi6 h ASP 60 CO -0.24 -0.33 0.55 -0.07 -2.88 0.00 0.00 179.24 176.27 2oi6 h LEU 61 N -0.50 1.06 -0.10 2.28 3.38 -1.82 -1.70 115.31 117.90 2oi6 h LEU 61 Ca -0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2oi6 h LEU 61 Cb 0.43 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2oi6 h LEU 61 CO 0.00 0.80 0.06 -0.07 0.09 0.00 0.00 178.44 179.32 2oi6 h LEU 62 N 1.22 0.09 -1.67 1.67 3.38 -0.60 -1.69 115.31 117.71 2oi6 h LEU 62 Ca 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 2oi6 h LEU 62 Cb -0.07 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2oi6 h LEU 62 CO -0.06 0.07 -0.00 0.11 0.09 0.00 0.00 178.44 178.64 2oi6 h LYS 63 N 0.12 0.20 -0.38 1.13 6.56 -0.85 0.14 116.57 123.48 2oi6 h LYS 63 Ca 0.04 -0.02 -0.15 0.00 -1.06 0.00 0.00 60.65 59.46 2oi6 h LYS 63 Cb -0.00 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.61 2oi6 h LYS 63 CO -0.02 0.22 -0.35 1.96 -2.06 0.00 0.00 179.45 179.20 2oi6 h GLN 64 N 0.20 0.87 0.21 3.15 4.20 -0.91 -3.32 115.11 119.52 2oi6 h GLN 64 Ca 0.05 -0.43 -0.33 0.00 0.06 0.00 0.00 58.65 58.00 2oi6 h GLN 64 Cb 0.14 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.95 2oi6 h GLN 64 CO 0.00 1.08 -1.49 0.00 -0.67 0.00 0.00 178.83 177.76 2oi6 h ALA 65 N 0.87 -0.03 -3.11 3.87 0.00 -0.61 -3.46 119.26 116.79 2oi6 h ALA 65 Ca 0.07 -0.93 -0.61 0.00 0.00 0.00 0.00 54.91 53.44 2oi6 h ALA 65 Cb 0.92 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.80 2oi6 h ALA 65 CO 0.08 0.83 -0.43 -0.51 0.00 0.00 0.00 179.25 179.23 2oi6 s LEU 66 N -7.42 4.26 -0.00 0.00 1.43 0.41 -4.95 118.68 112.40 2oi6 s LEU 66 Ca -0.09 0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 2oi6 s LEU 66 Cb 0.05 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 44.09 2oi6 s LEU 66 CO 0.91 0.19 0.67 0.29 0.23 0.00 0.00 176.35 178.65 2oi6 n LYS 67 N 3.25 0.90 -1.68 1.70 4.76 -1.26 -4.70 118.16 121.13 2oi6 n LYS 67 Ca -0.15 -0.84 -0.47 0.00 -2.87 0.00 0.00 58.31 53.98 2oi6 n LYS 67 Cb 0.52 -0.66 -0.04 0.00 -1.84 0.00 0.00 35.03 33.01 2oi6 n LYS 67 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2oi6 n ASP 68 N -0.17 3.51 -0.34 4.39 9.92 -1.26 -4.85 116.55 127.75 2oi6 n ASP 68 Ca 0.00 0.99 0.14 0.00 -0.53 0.00 0.00 54.79 55.39 2oi6 n ASP 68 Cb 0.44 -1.42 0.33 0.00 -0.64 0.00 0.00 41.12 39.83 2oi6 n ASP 68 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 2oi6 h ASP 69 N 8.59 0.66 -0.32 -2.24 3.04 -2.02 -1.98 116.42 122.14 2oi6 h ASP 69 Ca -0.48 0.12 -0.10 0.00 -3.24 0.00 0.00 57.03 53.33 2oi6 h ASP 69 Cb 1.26 0.01 -0.06 0.00 -1.04 0.00 0.00 39.33 39.50 2oi6 h ASP 69 CO 0.93 0.17 0.13 -0.46 -2.04 0.00 0.00 179.24 177.98 2oi6 n ASN 70 N -4.86 3.14 -4.65 4.15 6.94 -1.26 -4.89 115.26 113.82 2oi6 n ASN 70 Ca 0.24 -2.52 -0.41 0.00 -0.02 0.00 0.00 54.58 51.87 2oi6 n ASN 70 Cb 0.63 -0.61 -0.05 0.00 -2.36 0.00 0.00 39.78 37.39 2oi6 n ASN 70 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2oi6 s LEU 71 N -1.25 4.12 -0.36 -4.53 1.43 -0.75 -0.65 118.68 116.70 2oi6 s LEU 71 Ca 0.23 0.97 -0.10 0.00 -1.03 0.00 0.00 54.13 54.20 2oi6 s LEU 71 Cb 0.19 -3.07 0.02 0.00 0.03 0.00 0.00 46.19 43.36 2oi6 s LEU 71 CO 0.06 -0.40 0.17 0.21 0.23 0.00 0.00 176.35 176.62 2oi6 s ASN 72 N 1.27 5.60 -0.08 2.29 3.04 0.14 -4.96 114.94 122.24 2oi6 s ASN 72 Ca 0.33 -0.95 -0.30 0.00 0.04 0.00 0.00 52.86 51.98 2oi6 s ASN 72 Cb -0.16 -1.98 -0.03 0.00 -1.54 0.00 0.00 41.25 37.54 2oi6 s ASN 72 CO 0.10 -0.34 1.17 0.26 -3.04 0.00 0.00 177.10 175.25 2oi6 s TRP 73 N 1.53 3.20 -0.13 0.43 0.52 -1.26 -0.94 118.94 122.29 2oi6 s TRP 73 Ca 0.02 1.25 0.01 0.00 0.02 0.00 0.00 56.10 57.40 2oi6 s TRP 73 Cb -0.19 -3.39 0.02 0.00 -1.15 0.00 0.00 33.47 28.76 2oi6 s TRP 73 CO 0.06 -1.17 -0.15 0.08 0.02 0.00 0.00 176.95 175.78 2oi6 s VAL 74 N 2.37 1.56 0.08 4.03 1.01 0.42 -4.93 120.40 124.94 2oi6 s VAL 74 Ca 0.54 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.67 2oi6 s VAL 74 Cb -0.23 -1.44 -0.07 0.00 0.00 0.00 0.00 36.38 34.64 2oi6 s VAL 74 CO 0.20 0.46 0.59 -0.22 0.00 0.00 0.00 175.10 176.12 2oi6 s LEU 75 N 1.23 4.53 -0.41 3.92 2.96 -1.26 -1.04 118.68 128.61 2oi6 s LEU 75 Ca -0.01 1.30 0.02 0.00 -0.22 0.00 0.00 54.13 55.22 2oi6 s LEU 75 Cb -0.14 -2.93 0.13 0.00 0.50 0.00 0.00 46.19 43.75 2oi6 s LEU 75 CO -0.06 0.26 0.21 -1.58 -1.32 0.00 0.00 176.35 173.86 2oi6 s GLN 76 N -1.09 1.19 0.21 1.98 0.74 0.07 -4.88 119.66 117.88 2oi6 s GLN 76 Ca 0.30 -1.84 -0.09 0.00 0.05 0.00 0.00 55.36 53.78 2oi6 s GLN 76 Cb -0.20 -2.28 0.17 0.00 1.10 0.00 0.00 33.01 31.80 2oi6 s GLN 76 CO 0.20 -1.13 1.83 0.00 -0.55 0.00 0.00 175.29 175.64 2oi6 h ALA 77 N 6.97 1.03 -3.48 1.58 0.00 -1.86 -3.36 119.26 120.15 2oi6 h ALA 77 Ca -0.03 -0.12 -0.66 0.00 0.00 0.00 0.00 54.91 54.09 2oi6 h ALA 77 Cb 0.94 -0.32 -0.26 0.00 0.00 0.00 0.00 17.79 18.15 2oi6 h ALA 77 CO 0.48 0.54 -0.77 -1.21 0.00 0.00 0.00 179.25 178.29 2oi6 s GLU 78 N -5.84 3.19 -1.14 0.00 2.02 -1.26 -4.97 118.70 110.70 2oi6 s GLU 78 Ca -0.13 -0.69 -0.16 0.00 0.02 0.00 0.00 54.97 54.01 2oi6 s GLU 78 Cb 0.16 -2.57 0.13 0.00 0.10 0.00 0.00 34.13 31.95 2oi6 s GLU 78 CO 0.81 0.30 1.41 -0.65 0.02 0.00 0.00 175.26 177.16 2oi6 s GLN 79 N 0.11 3.92 -0.18 1.61 1.11 -1.26 -4.79 119.66 120.18 2oi6 s GLN 79 Ca -0.06 -2.17 0.11 0.00 0.01 0.00 0.00 55.36 53.25 2oi6 s GLN 79 Cb -0.15 -5.13 0.62 0.00 -1.01 0.00 0.00 33.01 27.34 2oi6 s GLN 79 CO 0.05 -1.89 1.45 1.28 0.01 0.00 0.00 175.29 176.19 2oi6 n LEU 80 N 6.60 4.57 0.00 2.90 4.77 -1.26 -5.01 117.00 129.56 2oi6 n LEU 80 Ca 0.35 -2.32 0.00 0.00 -0.03 0.00 0.00 56.01 54.02 2oi6 n LEU 80 Cb 0.45 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2oi6 n LEU 80 CO 0.62 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.84 2oi6 n GLY 81 N 0.51 3.18 0.34 -0.72 0.00 -1.26 -0.38 105.19 106.86 2oi6 n GLY 81 Ca 0.21 -1.90 0.12 0.00 0.00 0.00 0.00 46.02 44.45 2oi6 n GLY 81 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2oi6 h THR 82 N 0.00 0.91 -0.46 2.61 1.35 -1.93 -0.51 112.91 114.87 2oi6 h THR 82 Ca 0.00 -0.10 -0.07 0.00 -0.55 0.00 0.00 66.41 65.70 2oi6 h THR 82 Cb 0.00 0.59 -0.02 0.00 -1.73 0.00 0.00 68.15 66.99 2oi6 h THR 82 CO 0.00 0.05 0.04 1.23 -0.25 0.00 0.00 175.52 176.59 2oi6 h GLY 83 N 0.29 0.86 0.90 5.82 0.00 0.27 -1.67 103.07 109.54 2oi6 h GLY 83 Ca 0.22 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 2oi6 h GLY 83 CO -0.05 0.56 0.07 0.84 0.00 0.00 0.00 176.54 177.96 2oi6 h HIS 84 N 0.65 0.53 -0.51 5.60 6.17 -1.28 -1.84 115.15 124.47 2oi6 h HIS 84 Ca 0.14 -0.07 0.04 0.00 0.71 0.00 0.00 60.37 61.19 2oi6 h HIS 84 Cb 0.45 -0.15 -0.04 0.00 2.52 0.00 0.00 27.41 30.19 2oi6 h HIS 84 CO 0.03 0.56 0.26 0.00 0.71 0.00 0.00 177.93 179.50 2oi6 h ALA 85 N 0.90 0.65 -0.24 5.26 0.00 -0.95 -1.89 119.26 122.99 2oi6 h ALA 85 Ca 0.10 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2oi6 h ALA 85 Cb 0.31 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2oi6 h ALA 85 CO 0.00 -0.08 -0.03 0.52 0.00 0.00 0.00 179.25 179.67 2oi6 h MET 86 N 0.51 0.36 -0.03 0.00 2.86 -1.10 -2.00 114.93 115.53 2oi6 h MET 86 Ca 0.22 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.74 2oi6 h MET 86 Cb 0.12 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2oi6 h MET 86 CO -0.15 0.42 -0.21 1.96 1.06 0.00 0.00 176.91 179.99 2oi6 h GLN 87 N 0.35 0.05 -0.22 1.72 4.20 -0.54 0.16 115.11 120.83 2oi6 h GLN 87 Ca 0.08 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.66 2oi6 h GLN 87 Cb 0.28 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2oi6 h GLN 87 CO 0.01 0.27 -0.35 1.96 -0.67 0.00 0.00 178.83 180.05 2oi6 h GLN 88 N 0.05 0.47 0.00 1.46 1.08 -0.92 -3.22 115.11 114.03 2oi6 h GLN 88 Ca 0.01 -0.21 -0.12 0.00 -1.45 0.00 0.00 58.65 56.87 2oi6 h GLN 88 Cb 0.41 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 2oi6 h GLN 88 CO 0.03 0.76 -1.31 0.00 -0.95 0.00 0.00 178.83 177.36 2oi6 n ALA 89 N -2.49 2.10 -0.29 3.87 0.00 -0.84 -4.51 120.51 118.36 2oi6 n ALA 89 Ca -0.01 -0.46 0.12 0.00 0.00 0.00 0.00 53.44 53.09 2oi6 n ALA 89 Cb 0.47 -0.99 0.27 0.00 0.00 0.00 0.00 19.45 19.20 2oi6 n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oi6 h ALA 90 N 1.59 1.21 -0.73 0.00 0.00 -0.72 -1.06 119.26 119.54 2oi6 h ALA 90 Ca -0.12 0.22 0.21 0.00 0.00 0.00 0.00 54.91 55.22 2oi6 h ALA 90 Cb 1.42 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 2oi6 h ALA 90 CO 0.03 -0.45 0.52 -1.35 0.00 0.00 0.00 179.25 178.00 2oi6 h PRO 91 N 0.21 0.04 -0.00 0.00 0.11 -1.79 0.21 132.00 130.78 2oi6 h PRO 91 Ca 0.53 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 2oi6 h PRO 91 Cb 1.05 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2oi6 h PRO 91 CO -0.64 0.03 -0.08 1.19 -0.21 0.00 0.00 178.00 178.28 2oi6 n PHE 92 N -4.34 0.00 -2.48 0.65 3.01 -0.40 -4.87 117.46 109.03 2oi6 n PHE 92 Ca 0.15 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.22 2oi6 n PHE 92 Cb 0.77 -0.21 -0.04 0.00 -0.01 0.00 0.00 39.48 39.99 2oi6 n PHE 92 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2oi6 s PHE 93 N -2.50 3.38 0.14 1.38 2.99 0.74 -5.03 117.98 119.08 2oi6 s PHE 93 Ca 0.29 1.66 -0.22 0.00 0.00 0.00 0.00 56.93 58.66 2oi6 s PHE 93 Cb 0.20 -3.24 -0.07 0.00 0.00 0.00 0.00 43.02 39.91 2oi6 s PHE 93 CO 0.47 -0.68 0.68 0.00 -0.00 0.00 0.00 175.22 175.68 2oi6 s ALA 94 N -1.40 3.51 0.52 5.36 0.00 -1.26 -4.93 121.76 123.56 2oi6 s ALA 94 Ca 0.52 0.18 0.24 0.00 0.00 0.00 0.00 51.96 52.90 2oi6 s ALA 94 Cb -0.28 -2.79 1.52 0.00 0.00 0.00 0.00 23.12 21.58 2oi6 s ALA 94 CO 0.35 0.35 2.16 -0.44 0.00 0.00 0.00 175.76 178.18 2oi6 h ASP 95 N 4.25 0.00 -0.49 0.00 3.32 -1.96 -3.04 116.42 118.50 2oi6 h ASP 95 Ca -0.48 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.36 2oi6 h ASP 95 Cb 1.21 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.63 2oi6 h ASP 95 CO 0.65 0.05 0.10 -0.90 -1.72 0.00 0.00 179.24 177.42 2oi6 n ASP 96 N -4.02 3.21 -4.25 6.45 5.75 -1.26 -3.50 116.55 118.92 2oi6 n ASP 96 Ca -0.03 -3.55 -0.20 0.00 -0.01 0.00 0.00 54.79 51.01 2oi6 n ASP 96 Cb 0.13 -0.67 -0.11 0.00 -1.03 0.00 0.00 41.12 39.44 2oi6 n ASP 96 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 2oi6 s GLU 97 N -3.16 1.05 0.39 0.11 -1.05 -1.15 -4.62 118.70 110.28 2oi6 s GLU 97 Ca 0.47 -1.22 -0.22 0.00 -0.15 0.00 0.00 54.97 53.86 2oi6 s GLU 97 Cb 0.41 -1.04 -0.10 0.00 -0.44 0.00 0.00 34.13 32.95 2oi6 s GLU 97 CO 0.05 0.21 0.93 -0.51 0.95 0.00 0.00 175.26 176.89 2oi6 s ASP 98 N -2.31 7.04 -0.15 0.83 1.01 0.57 -0.45 116.67 123.21 2oi6 s ASP 98 Ca 0.08 1.69 0.01 0.00 0.71 0.00 0.00 52.55 55.05 2oi6 s ASP 98 Cb -0.06 -2.53 0.02 0.00 1.01 0.00 0.00 42.92 41.35 2oi6 s ASP 98 CO 0.04 -0.26 -0.19 -0.63 0.21 0.00 0.00 175.17 174.34 2oi6 s ILE 99 N -1.99 1.88 -0.17 0.77 -1.09 0.38 -0.39 121.20 120.58 2oi6 s ILE 99 Ca 0.58 -0.84 -0.05 0.00 -2.23 0.00 0.00 60.65 58.10 2oi6 s ILE 99 Cb -0.12 -1.70 -0.03 0.00 -1.58 0.00 0.00 42.46 39.03 2oi6 s ILE 99 CO 0.16 0.51 -0.00 -0.22 -1.23 0.00 0.00 174.94 174.16 2oi6 s LEU 100 N 1.16 3.41 -0.18 2.97 2.96 -0.44 -1.74 118.68 126.81 2oi6 s LEU 100 Ca -0.00 -0.09 -0.07 0.00 -0.22 0.00 0.00 54.13 53.76 2oi6 s LEU 100 Cb -0.14 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 2oi6 s LEU 100 CO -0.08 0.15 0.05 -0.32 -1.32 0.00 0.00 176.35 174.83 2oi6 s MET 101 N 0.49 3.92 0.18 1.98 -2.45 -0.18 -0.47 119.30 122.77 2oi6 s MET 101 Ca -0.01 -0.38 0.03 0.00 -1.25 0.00 0.00 55.69 54.09 2oi6 s MET 101 Cb -0.14 -3.17 -0.05 0.00 1.25 0.00 0.00 34.83 32.72 2oi6 s MET 101 CO 0.02 0.25 -0.04 -0.51 1.05 0.00 0.00 175.02 175.80 2oi6 s LEU 102 N 0.41 2.31 -0.11 4.11 1.43 -0.30 -3.37 118.68 123.16 2oi6 s LEU 102 Ca 0.02 -1.12 -0.05 0.00 -1.03 0.00 0.00 54.13 51.95 2oi6 s LEU 102 Cb -0.13 -0.24 -0.04 0.00 0.03 0.00 0.00 46.19 45.81 2oi6 s LEU 102 CO 0.01 -0.46 0.08 -0.31 0.23 0.00 0.00 176.35 175.90 2oi6 s TYR 103 N -3.45 3.42 -0.60 0.29 4.12 -1.26 -1.10 117.35 118.77 2oi6 s TYR 103 Ca 0.22 0.39 0.23 0.00 0.02 0.00 0.00 57.07 57.94 2oi6 s TYR 103 Cb 0.05 -1.88 0.92 0.00 -1.52 0.00 0.00 41.96 39.53 2oi6 s TYR 103 CO 0.04 0.63 1.71 0.41 0.02 0.00 0.00 175.55 178.35 2oi6 n GLY 104 N 2.06 -1.35 1.35 0.71 0.00 0.03 -3.29 105.19 104.70 2oi6 n GLY 104 Ca -0.19 0.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 2oi6 n GLY 104 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2oi6 n ASP 105 N -2.15 2.73 -3.44 1.61 5.68 -1.26 -3.60 116.55 116.13 2oi6 n ASP 105 Ca 0.03 -3.73 -0.26 0.00 -0.50 0.00 0.00 54.79 50.33 2oi6 n ASP 105 Cb 0.27 -0.67 -0.09 0.00 -1.14 0.00 0.00 41.12 39.49 2oi6 n ASP 105 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 2oi6 n VAL 106 N -1.10 0.31 0.29 2.12 0.31 -1.21 -0.73 118.33 118.33 2oi6 n VAL 106 Ca 0.37 -4.29 0.17 0.00 -0.01 0.00 0.00 64.34 60.59 2oi6 n VAL 106 Cb 1.14 -1.95 0.85 0.00 -0.91 0.00 0.00 33.84 32.97 2oi6 n VAL 106 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2oi6 h PRO 107 N 4.76 0.00 -0.31 5.55 0.13 -1.82 -3.29 132.00 137.02 2oi6 h PRO 107 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2oi6 h PRO 107 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2oi6 h PRO 107 CO 0.57 0.04 0.00 1.28 -0.23 0.00 0.00 178.00 179.66 2oi6 n LEU 108 N -3.25 2.70 -4.66 1.56 4.77 -1.26 -4.55 117.00 112.31 2oi6 n LEU 108 Ca -0.01 -1.16 -0.50 0.00 -0.03 0.00 0.00 56.01 54.31 2oi6 n LEU 108 Cb 0.22 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 2oi6 n LEU 108 CO 0.26 0.58 1.20 0.00 -1.33 0.00 0.00 177.39 178.10 2oi6 n ILE 109 N 1.00 0.17 -3.50 -0.08 0.13 -0.85 -4.56 119.36 111.67 2oi6 n ILE 109 Ca 0.18 -0.03 -0.37 0.00 -1.10 0.00 0.00 62.75 61.43 2oi6 n ILE 109 Cb 0.49 -1.36 -0.06 0.00 -0.84 0.00 0.00 39.64 37.87 2oi6 n ILE 109 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 2oi6 s SER 110 N 1.89 6.76 0.44 9.51 1.04 -1.26 -4.93 113.70 127.15 2oi6 s SER 110 Ca 0.86 0.93 0.11 0.00 0.48 0.00 0.00 55.95 58.34 2oi6 s SER 110 Cb -0.82 -2.23 1.00 0.00 0.10 0.00 0.00 66.02 64.07 2oi6 s SER 110 CO 0.48 0.24 2.04 0.58 0.98 0.00 0.00 173.24 177.56 2oi6 h VAL 111 N 3.29 1.00 -0.68 5.02 2.07 -1.92 -2.09 116.25 122.94 2oi6 h VAL 111 Ca -0.50 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 2oi6 h VAL 111 Cb 1.21 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 2oi6 h VAL 111 CO 0.64 0.07 0.37 -0.33 0.02 0.00 0.00 177.57 178.34 2oi6 h GLU 112 N 0.41 0.96 -0.45 1.57 3.07 -1.99 0.13 114.58 118.27 2oi6 h GLU 112 Ca 0.18 -0.12 -0.12 0.00 -0.50 0.00 0.00 59.36 58.81 2oi6 h GLU 112 Cb 0.21 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 2oi6 h GLU 112 CO -0.04 0.73 -0.17 1.15 -1.40 0.00 0.00 179.01 179.27 2oi6 h THR 113 N 0.94 1.27 -0.52 1.13 2.02 -1.84 -1.71 112.91 114.21 2oi6 h THR 113 Ca 0.24 -1.32 -0.04 0.00 0.77 0.00 0.00 66.41 66.07 2oi6 h THR 113 Cb 0.05 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 2oi6 h THR 113 CO -0.04 0.45 0.17 -0.07 0.37 0.00 0.00 175.52 176.40 2oi6 h LEU 114 N 0.75 0.70 -0.30 2.58 3.38 -0.85 -0.06 115.31 121.52 2oi6 h LEU 114 Ca 0.11 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2oi6 h LEU 114 Cb 0.74 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2oi6 h LEU 114 CO 0.06 0.67 0.01 -0.61 0.09 0.00 0.00 178.44 178.65 2oi6 h GLN 115 N 0.75 0.52 -0.99 1.13 5.75 -0.68 0.23 115.11 121.83 2oi6 h GLN 115 Ca 0.17 -0.16 0.05 0.00 -0.15 0.00 0.00 58.65 58.56 2oi6 h GLN 115 Cb 0.21 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.65 2oi6 h GLN 115 CO -0.01 0.66 0.64 0.00 -2.65 0.00 0.00 178.83 177.47 2oi6 h ARG 116 N 0.32 1.18 -0.47 1.69 3.08 -0.82 -1.20 114.38 118.18 2oi6 h ARG 116 Ca 0.09 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 2oi6 h ARG 116 Cb 0.42 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 2oi6 h ARG 116 CO 0.01 0.78 0.15 1.25 -1.07 0.00 0.00 179.97 181.09 2oi6 h LEU 117 N 1.22 0.68 -0.83 3.04 5.85 -0.53 -2.13 115.31 122.61 2oi6 h LEU 117 Ca 0.40 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.94 2oi6 h LEU 117 Cb 0.05 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 2oi6 h LEU 117 CO -0.14 0.70 0.53 0.03 -0.34 0.00 0.00 178.44 179.23 2oi6 h ARG 118 N 0.62 1.02 0.00 1.25 3.08 -0.13 -2.52 114.38 117.70 2oi6 h ARG 118 Ca 0.15 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 2oi6 h ARG 118 Cb 0.27 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2oi6 h ARG 118 CO -0.00 0.68 -0.24 -0.44 -1.07 0.00 0.00 179.97 178.89 2oi6 h ASP 119 N 1.05 0.00 1.79 7.04 3.32 -0.90 -2.99 116.42 125.73 2oi6 h ASP 119 Ca 0.32 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 2oi6 h ASP 119 Cb -0.03 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 2oi6 h ASP 119 CO -0.10 0.24 -0.21 0.00 -1.72 0.00 0.00 179.24 177.45 2oi6 h ALA 120 N 1.76 0.90 -2.43 3.45 0.00 -0.98 -3.45 119.26 118.50 2oi6 h ALA 120 Ca -0.00 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.36 2oi6 h ALA 120 Cb 0.71 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.52 2oi6 h ALA 120 CO 0.03 0.02 1.04 0.21 0.00 0.00 0.00 179.25 180.55 2oi6 s LYS 121 N -3.23 4.18 0.37 0.00 2.36 -1.02 -4.78 119.74 117.63 2oi6 s LYS 121 Ca 0.05 2.37 -0.15 0.00 -2.55 0.00 0.00 55.97 55.70 2oi6 s LYS 121 Cb 0.06 -3.68 -0.09 0.00 -1.05 0.00 0.00 37.83 33.08 2oi6 s LYS 121 CO 0.70 -0.77 0.79 -2.14 1.55 0.00 0.00 175.35 175.47 2oi6 s PRO 122 N 2.92 3.98 0.13 4.03 0.02 -1.26 -4.95 135.00 139.87 2oi6 s PRO 122 Ca 0.76 0.71 -0.35 0.00 0.02 0.00 0.00 61.00 62.15 2oi6 s PRO 122 Cb -0.40 -2.36 -0.14 0.00 0.02 0.00 0.00 34.50 31.62 2oi6 s PRO 122 CO 0.33 0.05 1.55 1.04 -0.33 0.00 0.00 177.00 179.64 2oi6 n GLN 123 N -0.71 1.94 -0.51 5.54 1.13 -1.26 0.23 117.38 123.75 2oi6 n GLN 123 Ca 0.04 0.70 0.00 0.00 -1.94 0.00 0.00 57.00 55.80 2oi6 n GLN 123 Cb 0.54 -2.45 0.00 0.00 0.11 0.00 0.00 30.24 28.44 2oi6 n GLN 123 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2oi6 n GLY 124 N 3.30 1.18 0.00 1.08 0.00 -1.26 -4.85 105.19 104.64 2oi6 n GLY 124 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2oi6 n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oi6 n GLY 125 N -2.00 3.43 2.92 -0.02 0.00 0.14 -4.61 105.19 105.03 2oi6 n GLY 125 Ca 0.00 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 2oi6 n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oi6 s ILE 126 N 3.11 -0.01 -0.21 -0.61 1.01 -0.38 -4.38 121.20 119.73 2oi6 s ILE 126 Ca 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 60.65 60.57 2oi6 s ILE 126 Cb 0.00 -0.12 -0.04 0.00 0.01 0.00 0.00 42.46 42.31 2oi6 s ILE 126 CO 0.00 0.02 0.28 -0.83 0.00 0.00 0.00 174.94 174.41 2oi6 s GLY 127 N 0.33 2.06 -0.05 6.18 0.00 -0.03 -1.36 107.32 114.46 2oi6 s GLY 127 Ca -0.02 -0.67 0.06 0.00 0.00 0.00 0.00 44.72 44.09 2oi6 s GLY 127 CO -0.01 0.57 -0.24 -2.27 0.00 0.00 0.00 173.10 171.15 2oi6 s LEU 128 N 1.07 2.05 -0.38 0.66 2.96 0.45 -1.16 118.68 124.32 2oi6 s LEU 128 Ca 0.14 -0.48 -0.14 0.00 -0.22 0.00 0.00 54.13 53.43 2oi6 s LEU 128 Cb -0.14 -1.32 0.01 0.00 0.50 0.00 0.00 46.19 45.24 2oi6 s LEU 128 CO 0.06 0.26 0.26 -0.22 -1.32 0.00 0.00 176.35 175.39 2oi6 s LEU 129 N -0.27 4.83 0.27 -0.68 2.96 -0.59 -1.03 118.68 124.16 2oi6 s LEU 129 Ca 0.00 -0.74 0.10 0.00 -0.22 0.00 0.00 54.13 53.27 2oi6 s LEU 129 Cb -0.12 -2.13 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 2oi6 s LEU 129 CO 0.02 -0.36 -0.16 0.42 -1.32 0.00 0.00 176.35 174.95 2oi6 s THR 130 N 1.68 2.16 -0.00 3.68 -4.23 -0.24 -2.15 115.64 116.53 2oi6 s THR 130 Ca 0.05 -2.30 -0.07 0.00 -1.18 0.00 0.00 61.69 58.19 2oi6 s THR 130 Cb -0.18 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.38 2oi6 s THR 130 CO 0.10 -0.42 0.14 0.54 -0.54 0.00 0.00 174.62 174.43 2oi6 s VAL 131 N -2.70 0.08 -0.23 2.29 0.11 -0.45 -4.08 120.40 115.42 2oi6 s VAL 131 Ca 0.28 -0.63 -0.14 0.00 -2.93 0.00 0.00 61.98 58.56 2oi6 s VAL 131 Cb -0.02 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 2oi6 s VAL 131 CO 0.12 -0.35 0.33 -0.75 -3.33 0.00 0.00 175.10 171.13 2oi6 s LYS 132 N -1.25 4.10 0.09 1.54 2.20 -1.26 0.12 119.74 125.29 2oi6 s LYS 132 Ca -0.13 0.04 0.09 0.00 -0.36 0.00 0.00 55.97 55.61 2oi6 s LYS 132 Cb -0.07 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 2oi6 s LYS 132 CO 0.01 -0.08 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.19 2oi6 s LEU 133 N 1.46 2.48 0.10 5.43 1.43 -0.70 -5.00 118.68 123.89 2oi6 s LEU 133 Ca 0.15 -0.59 -0.19 0.00 -1.03 0.00 0.00 54.13 52.47 2oi6 s LEU 133 Cb -0.15 -1.40 -0.07 0.00 0.03 0.00 0.00 46.19 44.61 2oi6 s LEU 133 CO 0.08 0.21 1.63 0.44 0.23 0.00 0.00 176.35 178.94 2oi6 h ASP 134 N 4.13 0.35 -3.65 2.29 3.32 -1.99 -3.36 116.42 117.51 2oi6 h ASP 134 Ca -0.49 -0.18 -0.67 0.00 0.02 0.00 0.00 57.03 55.71 2oi6 h ASP 134 Cb 1.16 -0.09 -0.38 0.00 0.22 0.00 0.00 39.33 40.24 2oi6 h ASP 134 CO 0.44 0.44 -0.68 -0.62 -1.72 0.00 0.00 179.24 177.09 2oi6 s ASP 135 N -5.69 4.88 0.00 6.45 2.15 -1.26 -4.96 116.67 118.23 2oi6 s ASP 135 Ca -0.13 -2.08 0.09 0.00 0.43 0.00 0.00 52.55 50.85 2oi6 s ASP 135 Cb 0.08 -1.68 0.34 0.00 -0.30 0.00 0.00 42.92 41.36 2oi6 s ASP 135 CO 0.72 -0.41 1.25 -0.81 -0.17 0.00 0.00 175.17 175.75 2oi6 n PRO 136 N 4.35 1.48 -1.62 4.34 -0.04 -1.26 -4.95 135.00 137.30 2oi6 n PRO 136 Ca 0.02 -0.75 -0.50 0.00 -0.04 0.00 0.00 63.50 62.23 2oi6 n PRO 136 Cb 0.42 -1.21 -0.05 0.00 -0.04 0.00 0.00 33.50 32.62 2oi6 n PRO 136 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2oi6 n THR 137 N 0.08 0.08 0.00 0.52 -1.04 -1.26 -2.35 114.28 110.31 2oi6 n THR 137 Ca 0.09 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 2oi6 n THR 137 Cb 0.19 -1.07 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 2oi6 n THR 137 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2oi6 n GLY 138 N 2.76 1.57 3.72 3.41 0.00 -1.26 -5.06 105.19 110.33 2oi6 n GLY 138 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 2oi6 n GLY 138 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2oi6 s TYR 139 N -2.33 2.81 0.18 1.61 1.51 -0.99 -4.69 117.35 115.44 2oi6 s TYR 139 Ca 0.00 -0.24 -0.31 0.00 -1.01 0.00 0.00 57.07 55.51 2oi6 s TYR 139 Cb 0.00 -1.38 -0.10 0.00 -0.11 0.00 0.00 41.96 40.37 2oi6 s TYR 139 CO 0.00 0.51 1.52 0.20 -1.11 0.00 0.00 175.55 176.66 2oi6 s GLY 140 N -3.77 1.77 -0.04 0.71 0.00 -1.26 -3.65 107.32 101.08 2oi6 s GLY 140 Ca 0.34 1.33 -0.21 0.00 0.00 0.00 0.00 44.72 46.18 2oi6 s GLY 140 CO 0.22 2.52 0.61 0.50 0.00 0.00 0.00 173.10 176.95 2oi6 s ARG 141 N 0.83 4.36 -0.11 2.90 3.00 0.70 -0.79 118.95 129.83 2oi6 s ARG 141 Ca 0.67 0.73 -0.27 0.00 0.00 0.00 0.00 55.73 56.86 2oi6 s ARG 141 Cb -0.42 -3.39 -0.02 0.00 0.00 0.00 0.00 34.95 31.12 2oi6 s ARG 141 CO 0.34 0.24 0.88 0.42 0.00 0.00 0.00 175.30 177.17 2oi6 s ILE 142 N 0.25 4.88 -0.09 1.52 -1.09 -0.74 -1.24 121.20 124.69 2oi6 s ILE 142 Ca 0.32 1.76 -0.04 0.00 -2.23 0.00 0.00 60.65 60.47 2oi6 s ILE 142 Cb -0.18 -4.19 -0.04 0.00 -1.58 0.00 0.00 42.46 36.48 2oi6 s ILE 142 CO 0.16 0.07 0.06 0.42 -1.23 0.00 0.00 174.94 174.43 2oi6 s THR 143 N 1.75 4.82 0.07 2.92 -4.23 -0.44 -4.89 115.64 115.65 2oi6 s THR 143 Ca 0.43 -0.07 0.06 0.00 -1.18 0.00 0.00 61.69 60.92 2oi6 s THR 143 Cb -0.18 -3.07 -0.03 0.00 1.34 0.00 0.00 72.50 70.56 2oi6 s THR 143 CO 0.17 0.59 -0.15 -0.13 -0.54 0.00 0.00 174.62 174.56 2oi6 s ARG 144 N -1.00 0.88 -0.17 3.99 0.52 -1.26 -0.54 118.95 121.36 2oi6 s ARG 144 Ca 0.15 -0.96 -0.02 0.00 -0.52 0.00 0.00 55.73 54.38 2oi6 s ARG 144 Cb -0.12 -0.92 0.05 0.00 0.52 0.00 0.00 34.95 34.48 2oi6 s ARG 144 CO 0.04 0.21 -0.00 -1.21 0.02 0.00 0.00 175.30 174.36 2oi6 s GLU 145 N -1.69 0.93 -1.36 3.54 2.02 0.43 -4.77 118.70 117.80 2oi6 s GLU 145 Ca -0.00 -0.41 -0.07 0.00 0.02 0.00 0.00 54.97 54.51 2oi6 s GLU 145 Cb -0.10 -1.95 0.02 0.00 0.10 0.00 0.00 34.13 32.21 2oi6 s GLU 145 CO 0.02 -0.53 1.03 0.09 0.02 0.00 0.00 175.26 175.89 2oi6 n ASN 146 N 4.99 -4.29 0.00 -0.19 3.02 -1.26 -2.00 115.26 115.53 2oi6 n ASN 146 Ca -0.10 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 2oi6 n ASN 146 Cb 0.47 -4.64 0.00 0.00 -0.61 0.00 0.00 39.78 35.01 2oi6 n ASN 146 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2oi6 n GLY 147 N -1.68 2.64 3.82 7.41 0.00 -1.26 -5.02 105.19 111.10 2oi6 n GLY 147 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 2oi6 n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oi6 s LYS 148 N -0.07 3.63 0.13 1.61 1.02 -0.84 -5.02 119.74 120.19 2oi6 s LYS 148 Ca 0.00 -0.18 -0.31 0.00 0.02 0.00 0.00 55.97 55.50 2oi6 s LYS 148 Cb 0.00 -3.23 -0.09 0.00 -0.52 0.00 0.00 37.83 33.99 2oi6 s LYS 148 CO 0.00 0.63 1.51 0.08 -0.92 0.00 0.00 175.35 176.65 2oi6 s VAL 149 N -0.62 2.94 0.00 3.17 1.01 -1.26 -0.43 120.40 125.22 2oi6 s VAL 149 Ca 0.13 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.75 2oi6 s VAL 149 Cb -0.12 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.85 2oi6 s VAL 149 CO 0.02 0.04 0.00 0.35 0.00 0.00 0.00 175.10 175.52 2oi6 n THR 150 N 4.06 0.00 -0.66 3.92 -2.24 0.29 -4.51 114.28 115.14 2oi6 n THR 150 Ca 0.13 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2oi6 n THR 150 Cb 0.40 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 2oi6 n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oi6 n GLY 151 N 1.28 -1.60 2.94 3.38 0.00 -1.19 -3.59 105.19 106.41 2oi6 n GLY 151 Ca 0.00 -1.08 -0.19 0.00 0.00 0.00 0.00 46.02 44.76 2oi6 n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oi6 s ILE 152 N -2.20 0.56 -0.17 -0.61 1.01 -1.26 -1.32 121.20 117.21 2oi6 s ILE 152 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.44 2oi6 s ILE 152 Cb 0.00 -0.53 0.01 0.00 0.01 0.00 0.00 42.46 41.95 2oi6 s ILE 152 CO 0.00 0.20 -0.19 -0.69 0.00 0.00 0.00 174.94 174.26 2oi6 s VAL 153 N 0.37 2.22 0.54 2.92 1.01 -0.38 -4.80 120.40 122.29 2oi6 s VAL 153 Ca -0.05 -0.90 -0.21 0.00 0.00 0.00 0.00 61.98 60.82 2oi6 s VAL 153 Cb -0.09 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 2oi6 s VAL 153 CO 0.00 0.53 1.23 -1.61 0.00 0.00 0.00 175.10 175.25 2oi6 s GLU 154 N 1.08 3.29 0.18 2.72 0.41 -1.26 -0.22 118.70 124.89 2oi6 s GLU 154 Ca -0.00 1.90 -0.21 0.00 -0.41 0.00 0.00 54.97 56.25 2oi6 s GLU 154 Cb -0.14 -2.17 0.10 0.00 -1.78 0.00 0.00 34.13 30.14 2oi6 s GLU 154 CO -0.07 -0.97 1.60 1.25 -0.49 0.00 0.00 175.26 176.58 2oi6 h HIS 155 N 1.42 -0.80 -0.91 1.61 -0.00 -1.84 -0.23 115.15 114.40 2oi6 h HIS 155 Ca -0.50 0.06 0.09 0.00 -0.00 0.00 0.00 60.37 60.02 2oi6 h HIS 155 Cb 1.28 0.42 -0.07 0.00 -0.00 0.00 0.00 27.41 29.05 2oi6 h HIS 155 CO 0.49 -0.36 0.59 0.87 -0.00 0.00 0.00 177.93 179.52 2oi6 h LYS 156 N -0.19 0.90 0.00 5.26 1.79 -1.92 -2.02 116.57 120.39 2oi6 h LYS 156 Ca 0.21 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 2oi6 h LYS 156 Cb 0.52 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2oi6 h LYS 156 CO -0.58 0.59 -0.26 -0.25 -1.08 0.00 0.00 179.45 177.87 2oi6 n ASP 157 N -4.53 0.61 -4.80 0.86 8.00 -0.44 -4.91 116.55 111.34 2oi6 n ASP 157 Ca 0.15 0.33 -0.36 0.00 0.71 0.00 0.00 54.79 55.62 2oi6 n ASP 157 Cb 0.30 -0.32 -0.06 0.00 -0.02 0.00 0.00 41.12 41.01 2oi6 n ASP 157 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2oi6 s ALA 158 N -3.10 3.29 0.81 2.24 0.00 -0.23 -4.93 121.76 119.85 2oi6 s ALA 158 Ca 0.10 0.36 -0.12 0.00 0.00 0.00 0.00 51.96 52.30 2oi6 s ALA 158 Cb 0.14 -3.02 0.08 0.00 0.00 0.00 0.00 23.12 20.32 2oi6 s ALA 158 CO 0.64 0.24 1.14 0.95 0.00 0.00 0.00 175.76 178.73 2oi6 s THR 159 N -1.61 2.50 0.30 0.00 -4.23 -1.26 -4.80 115.64 106.53 2oi6 s THR 159 Ca 0.48 0.16 0.03 0.00 -1.18 0.00 0.00 61.69 61.18 2oi6 s THR 159 Cb -0.17 -3.06 0.29 0.00 1.34 0.00 0.00 72.50 70.90 2oi6 s THR 159 CO 0.22 -0.21 1.85 0.44 -0.54 0.00 0.00 174.62 176.37 2oi6 h ASP 160 N -1.08 0.88 -0.08 3.99 3.32 -1.97 0.39 116.42 121.87 2oi6 h ASP 160 Ca -0.47 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 2oi6 h ASP 160 Cb 1.30 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 2oi6 h ASP 160 CO 0.63 0.47 -0.01 -0.33 -1.72 0.00 0.00 179.24 178.29 2oi6 h GLU 161 N 0.95 0.14 -0.13 3.56 3.07 -2.02 -2.64 114.58 117.52 2oi6 h GLU 161 Ca 0.48 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.28 2oi6 h GLU 161 Cb 0.51 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 2oi6 h GLU 161 CO -0.25 0.44 0.03 1.96 -1.40 0.00 0.00 179.01 179.79 2oi6 h GLN 162 N -0.16 0.18 0.00 2.33 4.20 -1.81 -0.65 115.11 119.19 2oi6 h GLN 162 Ca 0.02 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2oi6 h GLN 162 Cb 0.38 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2oi6 h GLN 162 CO 0.01 0.17 0.00 0.54 -0.67 0.00 0.00 178.83 178.87 2oi6 n ARG 163 N -4.46 0.02 0.20 1.46 1.74 0.09 -1.28 116.66 114.44 2oi6 n ARG 163 Ca -0.01 0.31 0.09 0.00 -0.77 0.00 0.00 57.85 57.47 2oi6 n ARG 163 Cb 0.13 -1.50 0.22 0.00 -1.02 0.00 0.00 32.46 30.29 2oi6 n ARG 163 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2oi6 h GLN 164 N 0.00 0.00 -6.53 5.56 1.08 -1.03 -3.45 115.11 110.73 2oi6 h GLN 164 Ca 0.00 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.65 2oi6 h GLN 164 Cb 0.15 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 27.63 2oi6 h GLN 164 CO 0.00 0.21 1.01 -0.89 -0.95 0.00 0.00 178.83 178.21 2oi6 n ILE 165 N -3.19 0.19 0.63 2.54 5.41 -0.40 -4.89 119.36 119.65 2oi6 n ILE 165 Ca 0.02 -0.03 0.11 0.00 1.00 0.00 0.00 62.75 63.84 2oi6 n ILE 165 Cb 0.56 -1.93 -0.09 0.00 -0.71 0.00 0.00 39.64 37.47 2oi6 n ILE 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2oi6 n GLN 166 N 4.71 0.24 -2.74 0.38 6.02 -1.26 -4.81 117.38 119.92 2oi6 n GLN 166 Ca 0.18 -0.06 -0.43 0.00 -0.01 0.00 0.00 57.00 56.68 2oi6 n GLN 166 Cb 0.34 -1.52 -0.03 0.00 1.02 0.00 0.00 30.24 30.04 2oi6 n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2oi6 s GLU 167 N -3.18 3.98 0.33 -1.09 2.12 -1.26 -1.72 118.70 117.88 2oi6 s GLU 167 Ca 0.03 0.84 0.09 0.00 0.36 0.00 0.00 54.97 56.29 2oi6 s GLU 167 Cb 0.15 -3.75 -0.06 0.00 0.26 0.00 0.00 34.13 30.73 2oi6 s GLU 167 CO 0.86 -0.88 -0.02 0.96 -0.54 0.00 0.00 175.26 175.64 2oi6 s ILE 168 N 3.48 2.57 -0.07 -3.70 -5.25 0.12 -1.79 121.20 116.56 2oi6 s ILE 168 Ca 0.41 -2.04 -0.30 0.00 -0.99 0.00 0.00 60.65 57.73 2oi6 s ILE 168 Cb -0.12 -2.74 -0.02 0.00 2.95 0.00 0.00 42.46 42.53 2oi6 s ILE 168 CO 0.16 -0.22 1.06 0.21 -1.79 0.00 0.00 174.94 174.36 2oi6 s ASN 169 N -3.68 7.21 0.24 4.36 2.47 0.03 -1.34 114.94 124.24 2oi6 s ASN 169 Ca 0.34 1.64 0.25 0.00 0.42 0.00 0.00 52.86 55.51 2oi6 s ASN 169 Cb -0.00 -2.56 0.59 0.00 -1.45 0.00 0.00 41.25 37.83 2oi6 s ASN 169 CO 0.18 -0.46 1.63 0.71 -3.72 0.00 0.00 177.10 175.45 2oi6 h THR 170 N 5.01 0.00 0.00 -5.21 1.35 -1.79 -3.41 112.91 108.86 2oi6 h THR 170 Ca -0.34 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 2oi6 h THR 170 Cb 1.16 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 2oi6 h THR 170 CO 0.84 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.72 2oi6 n GLY 171 N 1.26 3.00 3.72 5.82 0.00 -1.26 -5.05 105.19 112.69 2oi6 n GLY 171 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2oi6 n GLY 171 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oi6 s ILE 172 N -2.77 4.83 0.18 -0.61 1.01 -1.26 -4.86 121.20 117.72 2oi6 s ILE 172 Ca 0.00 1.83 -0.17 0.00 0.00 0.00 0.00 60.65 62.31 2oi6 s ILE 172 Cb 0.00 -4.21 0.03 0.00 0.01 0.00 0.00 42.46 38.29 2oi6 s ILE 172 CO 0.00 0.25 0.49 -1.48 0.00 0.00 0.00 174.94 174.20 2oi6 s LEU 173 N 0.60 0.16 -0.01 2.97 0.05 -1.22 -1.55 118.68 119.68 2oi6 s LEU 173 Ca 0.45 -0.45 -0.02 0.00 0.05 0.00 0.00 54.13 54.16 2oi6 s LEU 173 Cb -0.20 2.05 0.00 0.00 -2.05 0.00 0.00 46.19 45.99 2oi6 s LEU 173 CO 0.25 -1.00 0.05 -0.51 -0.55 0.00 0.00 176.35 174.59 2oi6 s ILE 174 N -3.86 0.02 0.01 1.48 2.07 -0.31 -1.01 121.20 119.59 2oi6 s ILE 174 Ca 0.08 -0.13 -0.28 0.00 -1.41 0.00 0.00 60.65 58.91 2oi6 s ILE 174 Cb -0.00 -0.12 0.09 0.00 0.13 0.00 0.00 42.46 42.56 2oi6 s ILE 174 CO -0.05 -0.07 0.80 0.00 -1.91 0.00 0.00 174.94 173.71 2oi6 s ALA 175 N -0.20 -1.77 0.34 1.50 0.00 -0.71 -0.85 121.76 120.07 2oi6 s ALA 175 Ca -0.02 1.00 -0.28 0.00 0.00 0.00 0.00 51.96 52.65 2oi6 s ALA 175 Cb -0.02 0.33 -0.12 0.00 0.00 0.00 0.00 23.12 23.31 2oi6 s ALA 175 CO 0.00 -0.61 1.41 -1.71 0.00 0.00 0.00 175.76 174.84 2oi6 n ASN 176 N 0.01 3.27 -0.24 0.00 2.85 -1.26 -0.47 115.26 119.42 2oi6 n ASN 176 Ca -0.12 1.20 0.01 0.00 -0.11 0.00 0.00 54.58 55.56 2oi6 n ASN 176 Cb 0.61 -1.54 0.13 0.00 1.24 0.00 0.00 39.78 40.22 2oi6 n ASN 176 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 2oi6 h GLY 177 N 3.07 1.04 0.88 8.20 0.00 -0.90 0.14 103.07 115.50 2oi6 h GLY 177 Ca -0.48 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 46.61 2oi6 h GLY 177 CO 0.66 0.06 0.06 0.00 0.00 0.00 0.00 176.54 177.31 2oi6 h ALA 178 N 1.42 0.37 -0.66 3.60 0.00 -1.70 -1.49 119.26 120.81 2oi6 h ALA 178 Ca 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2oi6 h ALA 178 Cb 0.36 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2oi6 h ALA 178 CO -0.27 0.05 0.32 -0.44 0.00 0.00 0.00 179.25 178.91 2oi6 h ASP 179 N 0.28 0.85 -0.48 0.00 3.32 -1.73 -1.89 116.42 116.77 2oi6 h ASP 179 Ca 0.09 -0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.08 2oi6 h ASP 179 Cb 0.31 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.58 2oi6 h ASP 179 CO 0.00 0.74 0.14 -0.03 -1.72 0.00 0.00 179.24 178.38 2oi6 h MET 180 N 0.91 0.29 -0.42 3.56 4.05 -0.55 -1.04 114.93 121.72 2oi6 h MET 180 Ca 0.23 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.55 2oi6 h MET 180 Cb 0.11 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 2oi6 h MET 180 CO -0.03 0.19 -0.07 0.87 0.23 0.00 0.00 176.91 178.10 2oi6 h LYS 181 N 0.30 0.73 0.04 0.39 1.57 -0.86 -1.19 116.57 117.54 2oi6 h LYS 181 Ca 0.23 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2oi6 h LYS 181 Cb 0.27 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2oi6 h LYS 181 CO -0.27 0.79 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.29 2oi6 h ARG 182 N 0.67 -0.05 -0.43 3.15 2.43 -0.58 -2.66 114.38 116.91 2oi6 h ARG 182 Ca 0.12 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 2oi6 h ARG 182 Cb 0.51 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 2oi6 h ARG 182 CO 0.03 0.03 0.02 -1.49 -1.51 0.00 0.00 179.97 177.05 2oi6 h TRP 183 N -0.11 0.81 -0.85 2.20 6.55 -1.04 -3.20 115.95 120.30 2oi6 h TRP 183 Ca -0.01 -0.13 0.08 0.00 0.95 0.00 0.00 58.89 59.79 2oi6 h TRP 183 Cb 0.10 -0.21 -0.06 0.00 -0.86 0.00 0.00 29.16 28.13 2oi6 h TRP 183 CO -0.05 0.79 0.56 -0.07 -1.05 0.00 0.00 178.44 178.61 2oi6 h LEU 184 N 0.59 0.79 -2.38 -4.49 3.38 -1.17 -0.81 115.31 111.22 2oi6 h LEU 184 Ca 0.12 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2oi6 h LEU 184 Cb 0.46 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2oi6 h LEU 184 CO 0.02 0.48 0.00 0.00 0.09 0.00 0.00 178.44 179.03 2oi6 h ALA 185 N 1.56 1.00 -0.06 1.53 0.00 -1.46 -2.45 119.26 119.38 2oi6 h ALA 185 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2oi6 h ALA 185 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2oi6 h ALA 185 CO -0.15 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.73 2oi6 n LYS 186 N -3.06 1.88 -2.08 0.00 5.02 -0.31 -4.96 118.16 114.66 2oi6 n LYS 186 Ca -0.02 -1.29 -0.41 0.00 -2.02 0.00 0.00 58.31 54.57 2oi6 n LYS 186 Cb 0.16 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 2oi6 n LYS 186 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2oi6 s LEU 187 N -1.92 4.40 0.19 -0.35 1.43 -0.93 -5.03 118.68 116.47 2oi6 s LEU 187 Ca 0.35 2.64 0.08 0.00 -1.03 0.00 0.00 54.13 56.17 2oi6 s LEU 187 Cb 0.20 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 2oi6 s LEU 187 CO 0.32 -0.62 -0.16 0.42 0.23 0.00 0.00 176.35 176.54 2oi6 s THR 188 N -0.43 1.79 -0.43 5.49 -4.23 -1.26 -5.06 115.64 111.51 2oi6 s THR 188 Ca 0.55 -2.09 0.04 0.00 -1.18 0.00 0.00 61.69 59.01 2oi6 s THR 188 Cb -0.40 -1.96 0.54 0.00 1.34 0.00 0.00 72.50 72.02 2oi6 s THR 188 CO 0.46 -0.47 1.72 -0.46 -0.54 0.00 0.00 174.62 175.34 2oi6 n ASN 189 N -0.10 4.37 -4.34 3.99 6.94 -1.26 -4.61 115.26 120.25 2oi6 n ASN 189 Ca -0.10 -3.73 -0.44 0.00 -0.02 0.00 0.00 54.58 50.29 2oi6 n ASN 189 Cb 0.59 -0.75 0.00 0.00 -2.36 0.00 0.00 39.78 37.26 2oi6 n ASN 189 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2oi6 n ASN 190 N -1.04 5.27 -2.90 0.53 3.02 -1.26 -4.15 115.26 114.72 2oi6 n ASN 190 Ca 0.50 -3.02 -0.13 0.00 -0.03 0.00 0.00 54.58 51.91 2oi6 n ASN 190 Cb 1.16 -1.53 -0.01 0.00 -0.61 0.00 0.00 39.78 38.79 2oi6 n ASN 190 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2oi6 n ASN 191 N 4.92 -1.65 -0.19 6.41 0.23 -1.26 -5.02 115.26 118.70 2oi6 n ASN 191 Ca 0.36 -2.77 0.17 0.00 -0.53 0.00 0.00 54.58 51.81 2oi6 n ASN 191 Cb 0.41 2.93 0.52 0.00 -2.08 0.00 0.00 39.78 41.56 2oi6 n ASN 191 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2oi6 h ALA 192 N 2.02 2.18 -0.01 -2.53 0.00 -1.91 -2.14 119.26 116.87 2oi6 h ALA 192 Ca -0.29 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2oi6 h ALA 192 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2oi6 h ALA 192 CO 0.38 -0.42 -0.42 1.04 0.00 0.00 0.00 179.25 179.84 2oi6 n GLN 193 N -4.48 1.44 -2.71 0.00 6.02 -1.26 -4.98 117.38 111.42 2oi6 n GLN 193 Ca 0.16 -0.88 -0.18 0.00 -0.01 0.00 0.00 57.00 56.09 2oi6 n GLN 193 Cb 0.61 -1.37 0.02 0.00 1.02 0.00 0.00 30.24 30.51 2oi6 n GLN 193 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2oi6 n GLY 194 N 1.29 -0.34 3.66 1.08 0.00 -0.81 -5.01 105.19 105.07 2oi6 n GLY 194 Ca 0.08 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2oi6 n GLY 194 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2oi6 s GLU 195 N -5.30 2.03 -0.41 1.61 2.02 -1.26 -4.91 118.70 112.48 2oi6 s GLU 195 Ca 0.17 -2.20 -0.16 0.00 0.02 0.00 0.00 54.97 52.80 2oi6 s GLU 195 Cb -0.07 -1.57 0.02 0.00 0.10 0.00 0.00 34.13 32.60 2oi6 s GLU 195 CO 0.21 -0.16 0.37 0.71 0.02 0.00 0.00 175.26 176.41 2oi6 s TYR 196 N -2.78 3.21 -0.26 1.61 1.51 0.49 -4.32 117.35 116.80 2oi6 s TYR 196 Ca 0.25 -0.45 -0.25 0.00 -1.01 0.00 0.00 57.07 55.61 2oi6 s TYR 196 Cb 0.07 -2.73 -0.00 0.00 -0.11 0.00 0.00 41.96 39.19 2oi6 s TYR 196 CO 0.13 -0.63 0.86 0.71 -1.11 0.00 0.00 175.55 175.51 2oi6 s TYR 197 N 1.91 3.28 0.39 2.71 4.12 -1.26 0.90 117.35 129.40 2oi6 s TYR 197 Ca 0.09 1.10 0.23 0.00 0.02 0.00 0.00 57.07 58.51 2oi6 s TYR 197 Cb -0.18 -3.15 1.23 0.00 -1.52 0.00 0.00 41.96 38.35 2oi6 s TYR 197 CO 0.12 -0.47 2.01 0.97 0.02 0.00 0.00 175.55 178.20 2oi6 h ILE 198 N 5.49 0.75 0.00 2.71 6.09 -1.88 -2.62 117.51 128.05 2oi6 h ILE 198 Ca -0.23 -0.70 -0.00 0.00 -1.37 0.00 0.00 64.86 62.56 2oi6 h ILE 198 Cb 1.09 1.42 -0.00 0.00 0.47 0.00 0.00 36.82 39.80 2oi6 h ILE 198 CO 0.90 0.17 -0.01 0.71 -3.07 0.00 0.00 178.15 176.84 2oi6 h THR 199 N 0.00 0.15 0.00 2.19 1.35 -1.96 -2.46 112.91 112.18 2oi6 h THR 199 Ca -0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 2oi6 h THR 199 Cb 0.41 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2oi6 h THR 199 CO 0.02 0.01 0.00 0.44 -0.25 0.00 0.00 175.52 175.74 2oi6 h ASP 200 N 0.00 0.00 1.05 5.36 3.32 -1.77 -2.90 116.42 121.48 2oi6 h ASP 200 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2oi6 h ASP 200 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2oi6 h ASP 200 CO 0.00 0.00 0.00 0.16 -1.72 0.00 0.00 179.24 177.68 2oi6 h ILE 201 N 0.00 0.00 0.27 0.35 3.07 -1.66 -2.42 117.51 117.13 2oi6 h ILE 201 Ca 0.00 -0.46 -0.01 0.00 1.55 0.00 0.00 64.86 65.94 2oi6 h ILE 201 Cb 0.31 1.37 0.00 0.00 -0.27 0.00 0.00 36.82 38.23 2oi6 h ILE 201 CO 0.00 0.00 -0.13 0.40 -1.05 0.00 0.00 178.15 177.37 2oi6 h ILE 202 N 0.00 0.76 -0.51 0.16 1.08 -1.74 -0.71 117.51 116.55 2oi6 h ILE 202 Ca 0.00 -0.59 -0.03 0.00 -0.39 0.00 0.00 64.86 63.85 2oi6 h ILE 202 Cb 0.53 1.07 -0.02 0.00 -3.07 0.00 0.00 36.82 35.32 2oi6 h ILE 202 CO 0.00 0.12 0.18 0.00 -0.69 0.00 0.00 178.15 177.76 2oi6 h ALA 203 N -0.09 1.37 -0.46 1.87 0.00 -1.58 -1.93 119.26 118.45 2oi6 h ALA 203 Ca -0.04 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2oi6 h ALA 203 Cb 0.48 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2oi6 h ALA 203 CO 0.06 0.47 0.09 -0.07 0.00 0.00 0.00 179.25 179.80 2oi6 h LEU 204 N 0.73 0.64 -0.12 0.00 3.38 -1.31 -1.19 115.31 117.44 2oi6 h LEU 204 Ca 0.17 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 2oi6 h LEU 204 Cb 0.18 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.77 2oi6 h LEU 204 CO -0.01 0.65 -0.65 0.00 0.09 0.00 0.00 178.44 178.52 2oi6 h ALA 205 N 1.44 0.24 -0.86 1.53 0.00 -0.78 -3.00 119.26 117.82 2oi6 h ALA 205 Ca 0.15 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 2oi6 h ALA 205 Cb 0.28 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2oi6 h ALA 205 CO -0.00 0.53 0.43 -0.92 0.00 0.00 0.00 179.25 179.29 2oi6 h TYR 206 N 0.32 1.23 -0.27 0.00 3.20 -0.99 0.44 116.97 120.89 2oi6 h TYR 206 Ca -0.05 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.74 2oi6 h TYR 206 Cb 1.29 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 2oi6 h TYR 206 CO 0.10 0.88 0.05 -0.56 -1.64 0.00 0.00 178.16 176.98 2oi6 h GLN 207 N 1.22 0.40 0.00 1.82 3.07 -1.25 -0.75 115.11 119.62 2oi6 h GLN 207 Ca 0.30 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.98 2oi6 h GLN 207 Cb 0.10 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 27.59 2oi6 h GLN 207 CO -0.04 0.39 0.00 0.39 0.09 0.00 0.00 178.83 179.66 2oi6 n GLU 208 N -4.36 0.12 -0.27 0.06 1.02 -0.68 -4.86 120.64 111.66 2oi6 n GLU 208 Ca 0.01 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2oi6 n GLU 208 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 2oi6 n GLU 208 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2oi6 n GLY 209 N 0.89 0.83 3.86 0.62 0.00 -0.29 -5.07 105.19 106.04 2oi6 n GLY 209 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 2oi6 n GLY 209 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oi6 s ARG 210 N -0.73 3.83 -0.18 1.61 1.81 0.06 -4.99 118.95 120.36 2oi6 s ARG 210 Ca 0.00 0.76 -0.10 0.00 -1.72 0.00 0.00 55.73 54.66 2oi6 s ARG 210 Cb 0.00 -2.21 -0.05 0.00 -0.45 0.00 0.00 34.95 32.24 2oi6 s ARG 210 CO 0.00 -0.25 0.16 -2.00 -0.68 0.00 0.00 175.30 172.53 2oi6 s GLU 211 N -4.21 4.11 -0.21 3.54 2.12 -1.26 -4.12 118.70 118.67 2oi6 s GLU 211 Ca 0.56 -0.14 -0.03 0.00 0.36 0.00 0.00 54.97 55.71 2oi6 s GLU 211 Cb -0.10 -3.39 -0.01 0.00 0.26 0.00 0.00 34.13 30.89 2oi6 s GLU 211 CO 0.35 0.35 -0.05 0.42 -0.54 0.00 0.00 175.26 175.79 2oi6 s ILE 212 N 0.19 3.36 -0.06 -3.70 1.09 -1.26 -1.25 121.20 119.56 2oi6 s ILE 212 Ca 0.11 -0.51 0.03 0.00 -1.10 0.00 0.00 60.65 59.18 2oi6 s ILE 212 Cb -0.12 -2.51 -0.02 0.00 -1.06 0.00 0.00 42.46 38.75 2oi6 s ILE 212 CO -0.00 0.44 -0.13 -0.69 -0.10 0.00 0.00 174.94 174.46 2oi6 s VAL 213 N 1.29 3.15 0.01 2.92 1.01 -0.46 -4.05 120.40 124.26 2oi6 s VAL 213 Ca 0.03 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.36 2oi6 s VAL 213 Cb -0.14 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 2oi6 s VAL 213 CO -0.02 0.58 -0.05 0.00 0.00 0.00 0.00 175.10 175.61 2oi6 s ALA 214 N -0.58 3.10 0.16 5.51 0.00 -1.26 -0.41 121.76 128.27 2oi6 s ALA 214 Ca 0.08 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.08 2oi6 s ALA 214 Cb -0.11 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 2oi6 s ALA 214 CO 0.01 0.63 -0.12 0.14 0.00 0.00 0.00 175.76 176.42 2oi6 s VAL 215 N -1.05 1.38 0.13 0.00 -7.23 -0.20 -4.94 120.40 108.49 2oi6 s VAL 215 Ca 0.18 -2.05 0.09 0.00 -1.81 0.00 0.00 61.98 58.39 2oi6 s VAL 215 Cb -0.11 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.93 2oi6 s VAL 215 CO 0.09 -0.65 -0.18 -1.00 -0.31 0.00 0.00 175.10 173.06 2oi6 s HIS 216 N -3.02 2.52 0.73 2.82 0.09 -1.26 -1.08 115.29 116.10 2oi6 s HIS 216 Ca 0.17 -0.27 -0.13 0.00 -0.00 0.00 0.00 55.06 54.84 2oi6 s HIS 216 Cb 0.00 -1.31 0.04 0.00 -0.00 0.00 0.00 32.58 31.31 2oi6 s HIS 216 CO 0.03 0.42 1.12 -2.14 -0.00 0.00 0.00 174.74 174.16 2oi6 s PRO 217 N -2.29 2.36 0.11 8.40 0.02 -1.26 -4.95 135.00 137.39 2oi6 s PRO 217 Ca 0.19 1.36 -0.14 0.00 0.02 0.00 0.00 61.00 62.43 2oi6 s PRO 217 Cb -0.10 -1.90 -0.06 0.00 0.02 0.00 0.00 34.50 32.46 2oi6 s PRO 217 CO 0.11 -1.59 1.46 0.37 -0.33 0.00 0.00 177.00 177.02 2oi6 h GLN 218 N -0.62 0.75 -4.91 5.54 5.75 -1.99 -3.45 115.11 116.18 2oi6 h GLN 218 Ca -0.45 -0.36 -0.36 0.00 -0.15 0.00 0.00 58.65 57.33 2oi6 h GLN 218 Cb 1.25 -0.00 -0.24 0.00 1.07 0.00 0.00 27.48 29.56 2oi6 h GLN 218 CO 0.51 0.98 -0.76 1.03 -2.65 0.00 0.00 178.83 177.94 2oi6 s ARG 219 N -4.50 0.70 0.29 1.69 0.52 -1.26 -5.03 118.95 111.36 2oi6 s ARG 219 Ca -0.12 -0.70 -0.02 0.00 -0.52 0.00 0.00 55.73 54.37 2oi6 s ARG 219 Cb 0.09 -0.62 0.43 0.00 0.52 0.00 0.00 34.95 35.38 2oi6 s ARG 219 CO 0.83 0.14 1.91 -0.07 0.02 0.00 0.00 175.30 178.13 2oi6 h LEU 220 N 4.84 0.86 -2.23 2.53 3.38 -2.01 -2.28 115.31 120.41 2oi6 h LEU 220 Ca -0.36 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.58 2oi6 h LEU 220 Cb 1.19 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2oi6 h LEU 220 CO 0.43 0.71 0.18 0.77 0.09 0.00 0.00 178.44 180.63 2oi6 h SER 221 N 0.97 0.00 0.06 -0.43 4.64 -1.97 -1.33 113.55 115.48 2oi6 h SER 221 Ca 0.24 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.55 2oi6 h SER 221 Cb 0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2oi6 h SER 221 CO -0.04 0.00 -0.06 -0.33 -0.87 0.00 0.00 176.83 175.54 2oi6 h GLU 222 N 0.00 0.00 -0.11 4.77 5.08 -1.65 -3.05 114.58 119.63 2oi6 h GLU 222 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2oi6 h GLU 222 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2oi6 h GLU 222 CO -0.00 0.06 0.00 1.33 -1.00 0.00 0.00 179.01 179.40 2oi6 n VAL 223 N -4.46 1.77 -2.58 3.13 0.24 -0.51 -2.01 118.33 113.92 2oi6 n VAL 223 Ca -0.03 -1.83 -0.41 0.00 -2.04 0.00 0.00 64.34 60.03 2oi6 n VAL 223 Cb 0.14 -0.05 -0.04 0.00 -1.47 0.00 0.00 33.84 32.42 2oi6 n VAL 223 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2oi6 s GLU 224 N -2.38 4.58 0.18 7.34 2.02 -1.15 -5.02 118.70 124.26 2oi6 s GLU 224 Ca 0.29 1.62 0.02 0.00 0.02 0.00 0.00 54.97 56.92 2oi6 s GLU 224 Cb 0.24 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 2oi6 s GLU 224 CO 0.05 0.02 0.33 0.20 0.02 0.00 0.00 175.26 175.88 2oi6 s GLY 225 N 0.34 1.67 -0.20 -1.39 0.00 -1.26 -4.42 107.32 102.06 2oi6 s GLY 225 Ca 0.51 -1.00 -0.02 0.00 0.00 0.00 0.00 44.72 44.21 2oi6 s GLY 225 CO 0.31 -0.98 -0.09 0.14 0.00 0.00 0.00 173.10 172.48 2oi6 s VAL 226 N -1.82 3.03 -0.04 1.40 1.01 0.09 -4.95 120.40 119.12 2oi6 s VAL 226 Ca 0.36 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.74 2oi6 s VAL 226 Cb -0.11 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 2oi6 s VAL 226 CO 0.29 0.46 0.06 0.59 0.00 0.00 0.00 175.10 176.51 2oi6 n ASN 227 N 4.58 2.47 -4.02 3.32 3.02 -1.26 -4.91 115.26 118.45 2oi6 n ASN 227 Ca -0.19 -0.25 -0.10 0.00 -0.03 0.00 0.00 54.58 54.01 2oi6 n ASN 227 Cb 0.51 1.05 -0.07 0.00 -0.61 0.00 0.00 39.78 40.66 2oi6 n ASN 227 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2oi6 s ASN 228 N -1.75 0.02 0.44 6.41 2.20 -1.26 -3.80 114.94 117.20 2oi6 s ASN 228 Ca -0.00 -1.00 0.13 0.00 -0.94 0.00 0.00 52.86 51.05 2oi6 s ASN 228 Cb 0.01 0.47 0.97 0.00 -2.00 0.00 0.00 41.25 40.71 2oi6 s ASN 228 CO 0.08 -0.96 2.00 0.03 -2.94 0.00 0.00 177.10 175.31 2oi6 h ARG 229 N 2.47 0.09 -0.31 3.55 3.08 -1.89 -2.27 114.38 119.10 2oi6 h ARG 229 Ca -0.31 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.69 2oi6 h ARG 229 Cb 1.24 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 2oi6 h ARG 229 CO 0.45 0.22 0.06 1.25 -1.07 0.00 0.00 179.97 180.88 2oi6 h LEU 230 N 0.09 0.48 -0.74 3.04 5.85 -1.97 0.32 115.31 122.38 2oi6 h LEU 230 Ca 0.02 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.42 2oi6 h LEU 230 Cb 0.27 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 2oi6 h LEU 230 CO 0.02 0.61 0.18 1.56 -0.34 0.00 0.00 178.44 180.47 2oi6 h GLN 231 N 0.34 1.13 -0.07 1.25 4.20 -1.86 -2.01 115.11 118.09 2oi6 h GLN 231 Ca 0.09 -0.27 0.02 0.00 0.06 0.00 0.00 58.65 58.56 2oi6 h GLN 231 Cb 0.33 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 2oi6 h GLN 231 CO 0.00 0.99 -0.05 1.25 -0.67 0.00 0.00 178.83 180.36 2oi6 h LEU 232 N 1.08 -0.15 -1.30 1.46 5.85 -1.09 -2.40 115.31 118.75 2oi6 h LEU 232 Ca 0.22 0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.05 2oi6 h LEU 232 Cb 0.36 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 2oi6 h LEU 232 CO 0.00 -0.07 0.52 0.77 -0.34 0.00 0.00 178.44 179.32 2oi6 h SER 233 N -0.05 0.73 -0.66 1.25 4.64 -0.55 0.52 113.55 119.43 2oi6 h SER 233 Ca 0.05 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.30 2oi6 h SER 233 Cb 0.12 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 2oi6 h SER 233 CO -0.10 0.46 0.11 0.03 -0.87 0.00 0.00 176.83 176.45 2oi6 h ARG 234 N 0.82 1.08 -0.04 4.77 3.08 -1.05 -2.37 114.38 120.67 2oi6 h ARG 234 Ca 0.35 -0.29 -0.13 0.00 0.07 0.00 0.00 59.98 59.98 2oi6 h ARG 234 Cb 0.30 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2oi6 h ARG 234 CO -0.13 1.00 -0.59 -0.07 -1.07 0.00 0.00 179.97 179.11 2oi6 h LEU 235 N 1.00 0.15 -0.60 3.04 3.38 -0.78 -1.74 115.31 119.76 2oi6 h LEU 235 Ca 0.20 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.09 2oi6 h LEU 235 Cb 0.44 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 2oi6 h LEU 235 CO 0.01 0.71 0.39 -0.08 0.09 0.00 0.00 178.44 179.56 2oi6 h GLU 236 N 0.10 0.77 -0.49 1.13 4.57 -0.69 -0.49 114.58 119.48 2oi6 h GLU 236 Ca -0.00 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.04 2oi6 h GLU 236 Cb 1.07 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.47 2oi6 h GLU 236 CO 0.09 0.51 -0.02 0.00 -1.18 0.00 0.00 179.01 178.41 2oi6 h ARG 237 N 0.79 0.88 -0.13 1.92 2.47 -1.15 -0.41 114.38 118.75 2oi6 h ARG 237 Ca 0.23 -0.29 0.01 0.00 -1.26 0.00 0.00 59.98 58.67 2oi6 h ARG 237 Cb -0.06 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.17 2oi6 h ARG 237 CO -0.06 0.93 0.05 0.28 0.56 0.00 0.00 179.97 181.73 2oi6 h VAL 238 N 0.74 0.98 -0.07 2.04 2.07 -1.07 0.15 116.25 121.09 2oi6 h VAL 238 Ca 0.14 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.63 2oi6 h VAL 238 Cb 0.54 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2oi6 h VAL 238 CO 0.03 0.02 -0.01 0.22 0.02 0.00 0.00 177.57 177.85 2oi6 h TYR 239 N 0.12 -0.03 -0.58 1.57 3.20 -0.90 -0.59 116.97 119.76 2oi6 h TYR 239 Ca 0.06 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 2oi6 h TYR 239 Cb 0.03 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 2oi6 h TYR 239 CO -0.10 -0.03 0.34 1.96 -1.64 0.00 0.00 178.16 178.69 2oi6 h GLN 240 N 0.01 0.80 -0.42 1.82 1.08 -0.88 -0.20 115.11 117.32 2oi6 h GLN 240 Ca 0.03 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.16 2oi6 h GLN 240 Cb 0.05 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.29 2oi6 h GLN 240 CO -0.07 0.59 0.28 0.77 -0.95 0.00 0.00 178.83 179.45 2oi6 h SER 241 N 0.78 0.48 -0.37 1.46 0.02 -0.42 0.14 113.55 115.64 2oi6 h SER 241 Ca 0.21 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 2oi6 h SER 241 Cb 0.01 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2oi6 h SER 241 CO -0.04 0.35 -0.07 -0.33 -1.14 0.00 0.00 176.83 175.60 2oi6 h GLU 242 N 0.57 0.71 -0.50 3.45 5.08 -0.86 -0.84 114.58 122.17 2oi6 h GLU 242 Ca 0.16 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2oi6 h GLU 242 Cb -0.06 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2oi6 h GLU 242 CO -0.04 0.85 0.29 1.96 -1.00 0.00 0.00 179.01 181.07 2oi6 h GLN 243 N 0.51 0.69 -0.53 2.33 1.08 -0.87 -1.61 115.11 116.71 2oi6 h GLN 243 Ca 0.10 -0.07 0.04 0.00 -1.45 0.00 0.00 58.65 57.26 2oi6 h GLN 243 Cb 0.58 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.83 2oi6 h GLN 243 CO 0.03 0.52 0.30 0.00 -0.95 0.00 0.00 178.83 178.73 2oi6 h ALA 244 N 1.13 0.69 -0.72 3.87 0.00 -0.53 -1.28 119.26 122.42 2oi6 h ALA 244 Ca 0.18 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2oi6 h ALA 244 Cb 0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2oi6 h ALA 244 CO -0.03 -0.02 0.20 0.93 0.00 0.00 0.00 179.25 180.32 2oi6 h GLU 245 N 0.58 1.13 -0.43 0.00 5.08 -0.95 -0.56 114.58 119.43 2oi6 h GLU 245 Ca 0.23 -0.26 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2oi6 h GLU 245 Cb 0.09 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2oi6 h GLU 245 CO -0.13 0.99 0.23 0.87 -1.00 0.00 0.00 179.01 179.97 2oi6 h LYS 246 N 1.07 0.45 -0.47 2.33 1.57 -0.82 -0.13 116.57 120.58 2oi6 h LYS 246 Ca 0.23 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2oi6 h LYS 246 Cb 0.35 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 2oi6 h LYS 246 CO -0.00 0.30 0.30 -0.07 -0.57 0.00 0.00 179.45 179.41 2oi6 h LEU 247 N 0.47 0.51 -0.50 2.94 3.38 -0.71 0.75 115.31 122.15 2oi6 h LEU 247 Ca 0.18 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.17 2oi6 h LEU 247 Cb 0.06 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 2oi6 h LEU 247 CO -0.11 0.36 0.29 -0.07 0.09 0.00 0.00 178.44 179.00 2oi6 h LEU 248 N 0.61 0.45 -1.34 1.67 3.38 -0.86 -0.94 115.31 118.28 2oi6 h LEU 248 Ca 0.18 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 2oi6 h LEU 248 Cb -0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2oi6 h LEU 248 CO -0.05 0.32 -0.33 -0.07 0.09 0.00 0.00 178.44 178.39 2oi6 h LEU 249 N 0.57 0.00 0.00 1.67 3.38 -0.36 -1.88 115.31 118.69 2oi6 h LEU 249 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2oi6 h LEU 249 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2oi6 h LEU 249 CO -0.11 0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.75 2oi6 n ALA 250 N -2.46 2.55 0.00 1.53 0.00 0.20 -4.90 120.51 117.43 2oi6 n ALA 250 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2oi6 n ALA 250 Cb 0.38 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.34 2oi6 n ALA 250 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oi6 n GLY 251 N 1.05 1.08 3.64 0.00 0.00 -0.70 -5.04 105.19 105.21 2oi6 n GLY 251 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 2oi6 n GLY 251 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oi6 s VAL 252 N -2.00 5.21 -0.31 1.61 1.01 -0.41 -4.08 120.40 121.42 2oi6 s VAL 252 Ca 0.00 0.58 -0.25 0.00 0.00 0.00 0.00 61.98 62.31 2oi6 s VAL 252 Cb 0.00 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.70 2oi6 s VAL 252 CO 0.00 0.22 0.85 -0.32 0.00 0.00 0.00 175.10 175.85 2oi6 s MET 253 N 1.65 3.96 -0.21 2.72 1.75 -0.52 -3.71 119.30 124.94 2oi6 s MET 253 Ca 0.16 0.67 -0.05 0.00 -1.25 0.00 0.00 55.69 55.21 2oi6 s MET 253 Cb -0.15 -3.74 -0.02 0.00 2.84 0.00 0.00 34.83 33.76 2oi6 s MET 253 CO 0.08 -0.74 0.01 -0.51 -0.65 0.00 0.00 175.02 173.21 2oi6 s LEU 254 N 3.12 3.26 0.43 4.11 1.43 -1.26 -0.63 118.68 129.14 2oi6 s LEU 254 Ca 0.35 -0.21 0.20 0.00 -1.03 0.00 0.00 54.13 53.44 2oi6 s LEU 254 Cb -0.14 -1.83 0.97 0.00 0.03 0.00 0.00 46.19 45.23 2oi6 s LEU 254 CO 0.14 0.05 1.89 0.03 0.23 0.00 0.00 176.35 178.68 2oi6 h ARG 255 N 7.62 0.00 -1.77 1.70 2.47 -1.40 -3.37 114.38 119.62 2oi6 h ARG 255 Ca -0.37 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.11 2oi6 h ARG 255 Cb 1.18 0.00 -0.29 0.00 -1.65 0.00 0.00 29.97 29.21 2oi6 h ARG 255 CO 0.61 0.27 -0.59 0.34 0.56 0.00 0.00 179.97 181.16 2oi6 s ASP 256 N -6.52 0.61 0.61 7.04 -1.08 -1.26 -4.92 116.67 111.15 2oi6 s ASP 256 Ca -0.02 -0.82 0.30 0.00 -0.52 0.00 0.00 52.55 51.49 2oi6 s ASP 256 Cb 0.13 0.94 1.64 0.00 -1.46 0.00 0.00 42.92 44.18 2oi6 s ASP 256 CO 0.66 -0.31 2.02 -0.65 0.52 0.00 0.00 175.17 177.40 2oi6 h PRO 257 N 7.75 0.00 -0.00 4.34 0.11 -1.97 0.33 132.00 142.56 2oi6 h PRO 257 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2oi6 h PRO 257 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2oi6 h PRO 257 CO 0.24 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 177.99 2oi6 n ALA 258 N -2.23 2.50 -3.03 -0.75 0.00 -1.26 -3.80 120.51 111.94 2oi6 n ALA 258 Ca 0.03 -0.15 -0.25 0.00 0.00 0.00 0.00 53.44 53.07 2oi6 n ALA 258 Cb 0.43 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.39 2oi6 n ALA 258 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2oi6 n ARG 259 N -1.36 2.57 -3.71 0.00 1.74 0.12 -5.00 116.66 111.02 2oi6 n ARG 259 Ca 0.11 -4.44 -0.12 0.00 -0.77 0.00 0.00 57.85 52.64 2oi6 n ARG 259 Cb 0.29 -2.08 -0.11 0.00 -1.02 0.00 0.00 32.46 29.54 2oi6 n ARG 259 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2oi6 s PHE 260 N -3.13 -0.51 -0.06 -1.55 5.36 -1.24 -0.08 117.98 116.76 2oi6 s PHE 260 Ca 0.46 1.14 0.01 0.00 -0.96 0.00 0.00 56.93 57.59 2oi6 s PHE 260 Cb 0.29 0.20 0.02 0.00 -0.34 0.00 0.00 43.02 43.19 2oi6 s PHE 260 CO -0.12 -0.28 -0.07 -0.51 -1.46 0.00 0.00 175.22 172.77 2oi6 s ASP 261 N 0.99 1.42 -0.19 6.13 1.11 -0.97 -4.91 116.67 120.25 2oi6 s ASP 261 Ca -0.06 -0.21 0.00 0.00 0.18 0.00 0.00 52.55 52.46 2oi6 s ASP 261 Cb -0.07 -0.63 0.02 0.00 1.07 0.00 0.00 42.92 43.31 2oi6 s ASP 261 CO -0.08 -0.04 -0.17 -0.22 1.18 0.00 0.00 175.17 175.85 2oi6 s LEU 262 N 0.98 2.30 -0.57 1.23 2.96 -1.26 -0.82 118.68 123.50 2oi6 s LEU 262 Ca -0.10 -0.61 0.06 0.00 -0.22 0.00 0.00 54.13 53.26 2oi6 s LEU 262 Cb -0.15 -1.53 0.28 0.00 0.50 0.00 0.00 46.19 45.29 2oi6 s LEU 262 CO 0.00 -0.01 0.76 0.54 -1.32 0.00 0.00 176.35 176.33 2oi6 n ARG 263 N 4.65 2.35 0.00 1.98 1.74 0.11 -4.88 116.66 122.61 2oi6 n ARG 263 Ca -0.20 -4.44 0.00 0.00 -0.77 0.00 0.00 57.85 52.44 2oi6 n ARG 263 Cb 0.50 -2.07 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 2oi6 n ARG 263 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2oi6 n GLY 264 N 0.63 -0.15 3.22 -0.13 0.00 -1.26 -1.40 105.19 106.10 2oi6 n GLY 264 Ca 0.29 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 2oi6 n GLY 264 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oi6 s THR 265 N -2.44 1.83 -0.20 2.61 2.01 -0.03 -4.95 115.64 114.48 2oi6 s THR 265 Ca 0.00 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.07 2oi6 s THR 265 Cb 0.00 -1.56 0.02 0.00 0.01 0.00 0.00 72.50 70.98 2oi6 s THR 265 CO 0.00 0.51 -0.17 -0.22 -0.69 0.00 0.00 174.62 174.05 2oi6 s LEU 266 N -0.08 2.39 -0.03 4.42 2.96 -1.26 -0.97 118.68 126.10 2oi6 s LEU 266 Ca -0.04 -0.75 -0.02 0.00 -0.22 0.00 0.00 54.13 53.10 2oi6 s LEU 266 Cb -0.13 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 2oi6 s LEU 266 CO 0.03 -0.03 0.08 -0.89 -1.32 0.00 0.00 176.35 174.22 2oi6 s THR 267 N 1.27 4.80 0.07 3.68 2.01 0.84 -5.00 115.64 123.31 2oi6 s THR 267 Ca 0.03 -0.29 -0.19 0.00 0.31 0.00 0.00 61.69 61.55 2oi6 s THR 267 Cb -0.14 -3.15 0.04 0.00 0.01 0.00 0.00 72.50 69.26 2oi6 s THR 267 CO -0.11 0.43 0.45 -1.38 -0.69 0.00 0.00 174.62 173.31 2oi6 s HIS 268 N -1.13 -0.30 0.00 4.92 -3.43 -1.26 -0.62 115.29 113.47 2oi6 s HIS 268 Ca 0.20 0.19 0.00 0.00 -0.80 0.00 0.00 55.06 54.66 2oi6 s HIS 268 Cb -0.12 0.28 0.00 0.00 -1.43 0.00 0.00 32.58 31.31 2oi6 s HIS 268 CO 0.11 -0.64 0.00 0.41 -2.00 0.00 0.00 174.74 172.62 2oi6 n GLY 269 N 0.22 1.43 3.92 -1.38 0.00 -0.52 -4.95 105.19 103.90 2oi6 n GLY 269 Ca -0.18 -1.89 -0.27 0.00 0.00 0.00 0.00 46.02 43.68 2oi6 n GLY 269 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oi6 s ARG 270 N 2.58 3.58 -1.33 1.61 0.52 -1.26 -4.47 118.95 120.18 2oi6 s ARG 270 Ca 0.00 -0.10 -0.05 0.00 -0.52 0.00 0.00 55.73 55.06 2oi6 s ARG 270 Cb 0.00 -2.66 0.03 0.00 0.52 0.00 0.00 34.95 32.84 2oi6 s ARG 270 CO 0.00 0.21 0.36 -0.25 0.02 0.00 0.00 175.30 175.64 2oi6 n ASP 271 N -1.13 -4.57 -4.75 0.23 8.00 -1.26 -0.21 116.55 112.85 2oi6 n ASP 271 Ca -0.03 -0.18 -0.40 0.00 0.71 0.00 0.00 54.79 54.89 2oi6 n ASP 271 Cb 0.54 -3.78 -0.05 0.00 -0.02 0.00 0.00 41.12 37.82 2oi6 n ASP 271 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2oi6 s VAL 272 N -2.92 3.66 -0.09 2.53 1.01 -1.26 -3.78 120.40 119.54 2oi6 s VAL 272 Ca 0.24 1.65 0.03 0.00 0.00 0.00 0.00 61.98 63.90 2oi6 s VAL 272 Cb -0.12 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.22 2oi6 s VAL 272 CO 0.30 0.38 -0.19 -1.61 0.00 0.00 0.00 175.10 173.99 2oi6 s GLU 273 N -1.28 2.47 -0.17 2.72 2.02 -0.13 -1.44 118.70 122.89 2oi6 s GLU 273 Ca 0.44 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.76 2oi6 s GLU 273 Cb -0.30 -1.94 0.04 0.00 0.10 0.00 0.00 34.13 32.02 2oi6 s GLU 273 CO 0.38 0.08 -0.08 0.42 0.02 0.00 0.00 175.26 176.08 2oi6 s ILE 274 N 0.57 1.34 0.32 -1.63 1.01 0.19 -0.34 121.20 122.66 2oi6 s ILE 274 Ca -0.15 -0.73 -0.05 0.00 0.00 0.00 0.00 60.65 59.72 2oi6 s ILE 274 Cb -0.17 -1.43 0.08 0.00 0.01 0.00 0.00 42.46 40.95 2oi6 s ILE 274 CO 0.05 0.20 0.38 -0.67 0.00 0.00 0.00 174.94 174.90 2oi6 n ASP 275 N 4.80 -0.41 -4.74 3.58 -0.08 0.46 -1.17 116.55 118.99 2oi6 n ASP 275 Ca -0.13 -1.00 -0.35 0.00 -1.51 0.00 0.00 54.79 51.79 2oi6 n ASP 275 Cb 0.48 -0.30 0.06 0.00 2.34 0.00 0.00 41.12 43.70 2oi6 n ASP 275 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2oi6 s THR 276 N -1.78 2.47 -1.53 5.18 -4.23 -1.26 -3.88 115.64 110.60 2oi6 s THR 276 Ca 0.22 0.26 -0.03 0.00 -1.18 0.00 0.00 61.69 60.96 2oi6 s THR 276 Cb -0.01 -2.95 0.01 0.00 1.34 0.00 0.00 72.50 70.89 2oi6 s THR 276 CO 0.16 -0.10 0.32 0.59 -0.54 0.00 0.00 174.62 175.05 2oi6 n ASN 277 N -2.17 -5.48 -4.85 3.99 3.02 0.89 -0.94 115.26 109.72 2oi6 n ASN 277 Ca 0.14 -0.15 -0.34 0.00 -0.03 0.00 0.00 54.58 54.19 2oi6 n ASN 277 Cb 0.50 -4.50 -0.06 0.00 -0.61 0.00 0.00 39.78 35.11 2oi6 n ASN 277 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2oi6 s VAL 278 N -3.03 4.89 -0.11 2.41 1.01 -1.24 -3.28 120.40 121.04 2oi6 s VAL 278 Ca 0.18 0.72 0.02 0.00 0.00 0.00 0.00 61.98 62.90 2oi6 s VAL 278 Cb -0.08 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.61 2oi6 s VAL 278 CO 0.22 0.17 -0.17 -0.63 0.00 0.00 0.00 175.10 174.70 2oi6 s ILE 279 N -1.54 1.62 -0.21 2.22 1.01 -0.06 -2.28 121.20 121.95 2oi6 s ILE 279 Ca 0.40 -0.72 -0.05 0.00 0.00 0.00 0.00 60.65 60.27 2oi6 s ILE 279 Cb -0.14 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 2oi6 s ILE 279 CO 0.19 0.46 0.01 -0.63 0.00 0.00 0.00 174.94 174.98 2oi6 s ILE 280 N 0.90 3.98 0.14 2.92 -1.09 0.00 -1.18 121.20 126.89 2oi6 s ILE 280 Ca -0.08 -0.30 0.10 0.00 -2.23 0.00 0.00 60.65 58.14 2oi6 s ILE 280 Cb -0.15 -2.82 -0.04 0.00 -1.58 0.00 0.00 42.46 37.87 2oi6 s ILE 280 CO -0.01 0.41 -0.22 -1.61 -1.23 0.00 0.00 174.94 172.28 2oi6 s GLU 281 N 1.18 1.30 4.51 2.79 2.02 0.11 0.07 118.70 130.68 2oi6 s GLU 281 Ca 0.03 -1.34 0.00 0.00 0.02 0.00 0.00 54.97 53.68 2oi6 s GLU 281 Cb -0.14 -1.57 0.00 0.00 0.10 0.00 0.00 34.13 32.52 2oi6 s GLU 281 CO 0.02 0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.05 2oi6 n GLY 282 N 0.66 1.41 3.51 -1.39 0.00 -0.49 -1.02 105.19 107.86 2oi6 n GLY 282 Ca -0.16 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 44.86 2oi6 n GLY 282 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2oi6 s ASN 283 N -4.00 5.48 -0.05 1.61 0.01 -1.26 -0.85 114.94 115.88 2oi6 s ASN 283 Ca 0.00 -0.11 0.04 0.00 -0.71 0.00 0.00 52.86 52.07 2oi6 s ASN 283 Cb 0.00 -1.99 0.00 0.00 0.41 0.00 0.00 41.25 39.67 2oi6 s ASN 283 CO 0.00 -0.02 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.73 2oi6 s VAL 284 N 1.54 1.32 -0.15 1.60 1.01 -0.15 -2.51 120.40 123.06 2oi6 s VAL 284 Ca 0.06 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2oi6 s VAL 284 Cb -0.15 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.07 2oi6 s VAL 284 CO 0.06 0.39 -0.15 -0.89 0.00 0.00 0.00 175.10 174.51 2oi6 s THR 285 N 0.21 2.71 -0.08 3.92 2.01 -0.87 -0.12 115.64 123.42 2oi6 s THR 285 Ca -0.07 -0.76 0.05 0.00 0.31 0.00 0.00 61.69 61.22 2oi6 s THR 285 Cb -0.12 -2.14 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 2oi6 s THR 285 CO 0.03 0.52 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.48 2oi6 s LEU 286 N 0.74 2.17 0.00 4.42 1.43 0.21 -0.86 118.68 126.78 2oi6 s LEU 286 Ca -0.06 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 2oi6 s LEU 286 Cb -0.15 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.65 2oi6 s LEU 286 CO 0.01 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.41 2oi6 n GLY 287 N 3.19 -1.42 3.80 -3.19 0.00 0.11 -1.44 105.19 106.23 2oi6 n GLY 287 Ca -0.18 -1.55 -0.35 0.00 0.00 0.00 0.00 46.02 43.94 2oi6 n GLY 287 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2oi6 s HIS 288 N -0.35 3.18 -1.81 1.61 0.09 -1.26 -3.05 115.29 113.70 2oi6 s HIS 288 Ca 0.00 1.61 0.00 0.00 -0.00 0.00 0.00 55.06 56.67 2oi6 s HIS 288 Cb 0.00 -3.02 0.00 0.00 -0.00 0.00 0.00 32.58 29.56 2oi6 s HIS 288 CO 0.00 -0.55 0.00 0.54 -0.00 0.00 0.00 174.74 174.73 2oi6 n ARG 289 N -0.58 -1.61 -2.38 1.40 1.74 0.70 -0.51 116.66 115.43 2oi6 n ARG 289 Ca 0.07 1.01 -0.41 0.00 -0.77 0.00 0.00 57.85 57.76 2oi6 n ARG 289 Cb 0.52 -5.50 -0.04 0.00 -1.02 0.00 0.00 32.46 26.42 2oi6 n ARG 289 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2oi6 s VAL 290 N -2.75 3.35 -0.12 1.55 1.01 -1.26 -4.01 120.40 118.16 2oi6 s VAL 290 Ca 0.00 1.30 0.03 0.00 0.00 0.00 0.00 61.98 63.31 2oi6 s VAL 290 Cb 0.00 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.56 2oi6 s VAL 290 CO 0.00 0.29 -0.23 -0.54 0.00 0.00 0.00 175.10 174.62 2oi6 s LYS 291 N -1.23 3.04 -0.22 2.72 1.02 -0.43 -0.95 119.74 123.68 2oi6 s LYS 291 Ca 0.47 -0.86 -0.00 0.00 0.02 0.00 0.00 55.97 55.60 2oi6 s LYS 291 Cb -0.34 -2.39 0.02 0.00 -0.52 0.00 0.00 37.83 34.61 2oi6 s LYS 291 CO 0.42 0.07 -0.11 0.42 -0.92 0.00 0.00 175.35 175.23 2oi6 s ILE 292 N 0.62 2.57 0.99 2.17 1.01 0.54 -0.46 121.20 128.64 2oi6 s ILE 292 Ca -0.12 -1.00 -0.15 0.00 0.00 0.00 0.00 60.65 59.38 2oi6 s ILE 292 Cb -0.16 -2.24 0.19 0.00 0.01 0.00 0.00 42.46 40.25 2oi6 s ILE 292 CO 0.02 0.32 1.18 -0.83 0.00 0.00 0.00 174.94 175.63 2oi6 s GLY 293 N 1.30 1.63 0.51 6.18 0.00 0.11 -0.41 107.32 116.65 2oi6 s GLY 293 Ca 0.01 -0.80 -0.22 0.00 0.00 0.00 0.00 44.72 43.71 2oi6 s GLY 293 CO -0.07 -0.12 1.25 -0.37 0.00 0.00 0.00 173.10 173.79 2oi6 n THR 294 N -3.97 3.37 -0.98 0.90 5.66 -1.26 -3.18 114.28 114.81 2oi6 n THR 294 Ca 0.10 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.60 2oi6 n THR 294 Cb 0.59 -1.53 0.00 0.00 -1.55 0.00 0.00 70.33 67.85 2oi6 n THR 294 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2oi6 n GLY 295 N 0.88 0.24 3.78 1.09 0.00 -0.12 -1.17 105.19 109.91 2oi6 n GLY 295 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2oi6 n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi6 s VAL 297 N -1.82 1.95 -0.13 0.00 1.01 -0.78 -0.88 120.40 119.75 2oi6 s VAL 297 Ca 0.68 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2oi6 s VAL 297 Cb -0.21 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.42 2oi6 s VAL 297 CO 0.25 0.52 -0.15 -0.63 0.00 0.00 0.00 175.10 175.09 2oi6 s ILE 298 N 1.29 1.57 -0.05 2.22 1.01 -0.32 -0.71 121.20 126.20 2oi6 s ILE 298 Ca 0.04 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.05 2oi6 s ILE 298 Cb -0.13 -1.45 0.01 0.00 0.01 0.00 0.00 42.46 40.90 2oi6 s ILE 298 CO -0.11 0.46 -0.10 -0.75 0.00 0.00 0.00 174.94 174.43 2oi6 s LYS 299 N 1.22 1.35 -1.18 2.79 2.20 0.62 0.07 119.74 126.81 2oi6 s LYS 299 Ca -0.01 -0.35 -0.33 0.00 -0.36 0.00 0.00 55.97 54.92 2oi6 s LYS 299 Cb -0.14 -1.18 0.05 0.00 -1.51 0.00 0.00 37.83 35.05 2oi6 s LYS 299 CO -0.06 0.05 0.66 0.09 -0.36 0.00 0.00 175.35 175.74 2oi6 n ASN 300 N 3.65 -4.08 -4.11 1.43 3.02 -0.19 -1.04 115.26 113.95 2oi6 n ASN 300 Ca -0.22 -1.28 -0.09 0.00 -0.03 0.00 0.00 54.58 52.97 2oi6 n ASN 300 Cb 0.52 -1.56 -0.10 0.00 -0.61 0.00 0.00 39.78 38.04 2oi6 n ASN 300 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2oi6 s SER 301 N -3.51 0.36 -0.14 6.41 0.01 -1.05 -1.73 113.70 114.06 2oi6 s SER 301 Ca 0.46 -1.09 0.01 0.00 1.31 0.00 0.00 55.95 56.64 2oi6 s SER 301 Cb -0.26 0.27 -0.00 0.00 0.21 0.00 0.00 66.02 66.24 2oi6 s SER 301 CO 0.96 -0.68 -0.17 -0.69 0.41 0.00 0.00 173.24 173.06 2oi6 s VAL 302 N -3.99 2.56 -0.17 3.43 1.01 -0.42 -2.06 120.40 120.77 2oi6 s VAL 302 Ca 0.16 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.33 2oi6 s VAL 302 Cb 0.07 -2.06 0.03 0.00 0.00 0.00 0.00 36.38 34.43 2oi6 s VAL 302 CO -0.03 0.53 -0.13 -0.63 0.00 0.00 0.00 175.10 174.84 2oi6 s ILE 303 N 0.63 1.61 0.96 2.22 1.01 -0.04 -0.82 121.20 126.76 2oi6 s ILE 303 Ca -0.09 -0.80 -0.14 0.00 0.00 0.00 0.00 60.65 59.61 2oi6 s ILE 303 Cb -0.16 -1.59 0.17 0.00 0.01 0.00 0.00 42.46 40.89 2oi6 s ILE 303 CO 0.03 0.33 1.16 -0.83 0.00 0.00 0.00 174.94 175.63 2oi6 s GLY 304 N 1.44 1.61 0.31 6.18 0.00 0.18 0.08 107.32 117.13 2oi6 s GLY 304 Ca 0.02 -0.70 -0.28 0.00 0.00 0.00 0.00 44.72 43.76 2oi6 s GLY 304 CO -0.10 -0.06 1.11 1.22 0.00 0.00 0.00 173.10 175.27 2oi6 n ASP 305 N -3.90 1.84 -0.33 1.64 8.00 -1.26 -2.92 116.55 119.62 2oi6 n ASP 305 Ca 0.09 1.18 -0.04 0.00 0.71 0.00 0.00 54.79 56.73 2oi6 n ASP 305 Cb 0.59 -1.36 -0.02 0.00 -0.02 0.00 0.00 41.12 40.31 2oi6 n ASP 305 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2oi6 n ASP 306 N 1.02 -4.96 -4.78 -2.24 9.92 0.33 -0.49 116.55 115.35 2oi6 n ASP 306 Ca 0.08 0.11 -0.35 0.00 -0.53 0.00 0.00 54.79 54.10 2oi6 n ASP 306 Cb 0.34 -2.84 -0.01 0.00 -0.64 0.00 0.00 41.12 37.98 2oi6 n ASP 306 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2oi6 s GLU 308 N -3.32 2.10 -0.36 0.00 2.02 -0.64 -1.32 118.70 117.18 2oi6 s GLU 308 Ca 0.71 -0.56 -0.10 0.00 0.02 0.00 0.00 54.97 55.04 2oi6 s GLU 308 Cb -0.22 -2.07 0.03 0.00 0.10 0.00 0.00 34.13 31.97 2oi6 s GLU 308 CO 0.26 -0.28 0.18 0.42 0.02 0.00 0.00 175.26 175.86 2oi6 s ILE 309 N 1.51 4.42 0.92 -1.63 -1.09 0.40 -2.15 121.20 123.58 2oi6 s ILE 309 Ca 0.04 -0.87 -0.12 0.00 -2.23 0.00 0.00 60.65 57.46 2oi6 s ILE 309 Cb -0.13 -3.45 0.14 0.00 -1.58 0.00 0.00 42.46 37.44 2oi6 s ILE 309 CO -0.10 -0.20 1.11 -0.44 -1.23 0.00 0.00 174.94 174.09 2oi6 s SER 310 N 1.53 3.39 0.44 3.58 0.01 0.23 0.05 113.70 122.93 2oi6 s SER 310 Ca 0.02 1.17 -0.22 0.00 1.31 0.00 0.00 55.95 58.22 2oi6 s SER 310 Cb -0.19 -1.81 -0.11 0.00 0.21 0.00 0.00 66.02 64.11 2oi6 s SER 310 CO 0.06 -2.65 0.65 -2.65 0.41 0.00 0.00 173.24 169.06 2oi6 n PRO 311 N -3.86 0.73 -3.74 12.44 -0.02 -1.26 -3.72 135.00 135.57 2oi6 n PRO 311 Ca 0.06 0.27 -0.26 0.00 -2.02 0.00 0.00 63.50 61.55 2oi6 n PRO 311 Cb 0.58 -1.66 0.02 0.00 -0.02 0.00 0.00 33.50 32.42 2oi6 n PRO 311 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2oi6 n TYR 312 N -0.89 -1.87 -5.00 6.00 4.02 -0.31 -1.83 117.16 117.27 2oi6 n TYR 312 Ca 0.11 0.67 -0.32 0.00 -0.01 0.00 0.00 57.90 58.35 2oi6 n TYR 312 Cb 0.40 -3.86 -0.14 0.00 -0.02 0.00 0.00 39.34 35.73 2oi6 n TYR 312 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2oi6 s THR 313 N -3.66 2.78 -0.11 -0.72 2.01 -1.24 -2.03 115.64 112.68 2oi6 s THR 313 Ca 0.20 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.40 2oi6 s THR 313 Cb -0.06 -2.06 -0.00 0.00 0.01 0.00 0.00 72.50 70.38 2oi6 s THR 313 CO 0.85 0.59 -0.22 -0.69 -0.69 0.00 0.00 174.62 174.46 2oi6 s VAL 314 N -0.70 2.27 -0.03 3.82 1.01 -0.74 -1.87 120.40 124.16 2oi6 s VAL 314 Ca 0.11 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.16 2oi6 s VAL 314 Cb -0.10 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.40 2oi6 s VAL 314 CO 0.00 0.55 -0.06 -0.69 0.00 0.00 0.00 175.10 174.91 2oi6 s VAL 315 N 0.34 0.55 -0.09 2.92 1.01 0.11 -1.00 120.40 124.24 2oi6 s VAL 315 Ca -0.17 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 2oi6 s VAL 315 Cb -0.18 -0.52 0.05 0.00 0.00 0.00 0.00 36.38 35.73 2oi6 s VAL 315 CO 0.08 0.20 0.18 -0.70 0.00 0.00 0.00 175.10 174.86 2oi6 s GLU 316 N 0.43 0.07 -1.31 2.72 2.12 -0.41 -0.27 118.70 122.06 2oi6 s GLU 316 Ca -0.06 0.54 -0.02 0.00 0.36 0.00 0.00 54.97 55.80 2oi6 s GLU 316 Cb -0.09 -0.21 0.01 0.00 0.26 0.00 0.00 34.13 34.10 2oi6 s GLU 316 CO 0.00 -0.26 0.84 -0.25 -0.54 0.00 0.00 175.26 175.05 2oi6 n ASP 317 N 5.00 -2.10 -4.60 -1.70 8.00 -0.21 -2.24 116.55 118.70 2oi6 n ASP 317 Ca -0.11 -0.75 -0.24 0.00 0.71 0.00 0.00 54.79 54.40 2oi6 n ASP 317 Cb 0.50 -4.37 -0.09 0.00 -0.02 0.00 0.00 41.12 37.15 2oi6 n ASP 317 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2oi6 s ALA 318 N -3.53 3.09 -0.11 2.24 0.00 -1.25 -1.65 121.76 120.55 2oi6 s ALA 318 Ca 0.11 -1.86 -0.02 0.00 0.00 0.00 0.00 51.96 50.20 2oi6 s ALA 318 Cb -0.05 -0.46 0.04 0.00 0.00 0.00 0.00 23.12 22.65 2oi6 s ALA 318 CO 0.79 0.17 -0.00 1.21 0.00 0.00 0.00 175.76 177.92 2oi6 s ASN 319 N -3.66 2.08 -0.15 0.00 3.84 -0.54 -1.30 114.94 115.22 2oi6 s ASN 319 Ca 0.33 -0.34 -0.01 0.00 0.21 0.00 0.00 52.86 53.05 2oi6 s ASN 319 Cb -0.03 -0.56 -0.01 0.00 -0.55 0.00 0.00 41.25 40.09 2oi6 s ASN 319 CO 0.18 -0.21 -0.10 -0.76 -2.79 0.00 0.00 177.10 173.42 2oi6 s LEU 320 N 1.89 2.79 0.00 3.21 1.02 -0.00 -1.38 118.68 126.21 2oi6 s LEU 320 Ca 0.03 -0.33 -0.10 0.00 0.02 0.00 0.00 54.13 53.75 2oi6 s LEU 320 Cb -0.14 -1.65 0.14 0.00 0.02 0.00 0.00 46.19 44.56 2oi6 s LEU 320 CO -0.06 0.12 0.68 0.00 0.02 0.00 0.00 176.35 177.11 2oi6 n ALA 321 N 3.81 -1.28 -1.59 4.21 0.00 -0.57 -0.64 120.51 124.45 2oi6 n ALA 321 Ca -0.18 -0.93 -0.35 0.00 0.00 0.00 0.00 53.44 51.97 2oi6 n ALA 321 Cb 0.52 -0.05 0.06 0.00 0.00 0.00 0.00 19.45 19.98 2oi6 n ALA 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oi6 s ALA 322 N -3.58 2.36 -1.96 0.00 0.00 -1.26 -3.79 121.76 113.53 2oi6 s ALA 322 Ca 0.41 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.33 2oi6 s ALA 322 Cb -0.02 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2oi6 s ALA 322 CO 0.30 -1.49 0.00 0.00 0.00 0.00 0.00 175.76 174.56 2oi6 n ALA 323 N -2.10 -0.39 -2.01 0.00 0.00 0.36 -1.38 120.51 114.99 2oi6 n ALA 323 Ca 0.14 0.27 -0.31 0.00 0.00 0.00 0.00 53.44 53.53 2oi6 n ALA 323 Cb 0.50 -2.01 -0.03 0.00 0.00 0.00 0.00 19.45 17.91 2oi6 n ALA 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oi6 s THR 325 N -2.57 0.86 0.06 0.00 -4.23 -0.84 -1.62 115.64 107.30 2oi6 s THR 325 Ca 0.55 -0.28 0.03 0.00 -1.18 0.00 0.00 61.69 60.80 2oi6 s THR 325 Cb -0.10 -0.84 -0.03 0.00 1.34 0.00 0.00 72.50 72.86 2oi6 s THR 325 CO 0.34 0.31 -0.08 0.27 -0.54 0.00 0.00 174.62 174.91 2oi6 s ILE 326 N 1.04 0.68 0.00 2.99 -4.36 -0.91 -1.72 121.20 118.91 2oi6 s ILE 326 Ca -0.08 -1.34 0.00 0.00 -0.26 0.00 0.00 60.65 58.97 2oi6 s ILE 326 Cb -0.14 -0.96 0.00 0.00 1.25 0.00 0.00 42.46 42.61 2oi6 s ILE 326 CO -0.00 -0.49 0.00 0.61 0.24 0.00 0.00 174.94 175.30 2oi6 n GLY 327 N 1.04 -2.35 3.74 6.27 0.00 -0.19 -0.60 105.19 113.09 2oi6 n GLY 327 Ca -0.20 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 2oi6 n GLY 327 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2oi6 s PRO 328 N -0.37 1.15 -1.53 1.61 0.04 -1.26 -4.30 135.00 130.33 2oi6 s PRO 328 Ca 0.00 0.58 -0.04 0.00 0.04 0.00 0.00 61.00 61.57 2oi6 s PRO 328 Cb 0.00 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.73 2oi6 s PRO 328 CO 0.00 -2.26 0.55 1.19 0.04 0.00 0.00 177.00 176.53 2oi6 n PHE 329 N -3.86 -1.84 -3.76 0.56 3.72 -0.76 -3.48 117.46 108.04 2oi6 n PHE 329 Ca 0.06 0.47 -0.28 0.00 -0.05 0.00 0.00 57.45 57.66 2oi6 n PHE 329 Cb 0.57 -4.37 -0.03 0.00 -0.94 0.00 0.00 39.48 34.71 2oi6 n PHE 329 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2oi6 s ALA 330 N -3.15 3.87 -0.26 4.37 0.00 -1.26 -0.59 121.76 124.74 2oi6 s ALA 330 Ca 0.27 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.38 2oi6 s ALA 330 Cb -0.12 -1.96 0.08 0.00 0.00 0.00 0.00 23.12 21.12 2oi6 s ALA 330 CO 0.34 0.52 0.07 0.50 0.00 0.00 0.00 175.76 177.19 2oi6 s ARG 331 N -3.15 0.63 -0.24 0.00 3.00 0.34 -1.79 118.95 117.74 2oi6 s ARG 331 Ca 0.38 -0.72 -0.10 0.00 -1.00 0.00 0.00 55.73 54.29 2oi6 s ARG 331 Cb -0.11 -1.94 -0.04 0.00 0.00 0.00 0.00 34.95 32.86 2oi6 s ARG 331 CO 0.28 -0.84 0.13 -0.51 0.00 0.00 0.00 175.30 174.37 2oi6 s LEU 332 N 1.78 3.93 0.49 -0.88 1.43 -0.17 -1.82 118.68 123.45 2oi6 s LEU 332 Ca 0.05 0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.25 2oi6 s LEU 332 Cb -0.17 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 44.02 2oi6 s LEU 332 CO -0.19 0.05 0.50 -0.13 0.23 0.00 0.00 176.35 176.81 2oi6 s ARG 333 N 1.16 2.44 0.11 1.70 0.52 0.26 -1.29 118.95 123.86 2oi6 s ARG 333 Ca 0.06 -1.66 -0.36 0.00 -0.52 0.00 0.00 55.73 53.26 2oi6 s ARG 333 Cb -0.14 -2.41 -0.16 0.00 0.52 0.00 0.00 34.95 32.76 2oi6 s ARG 333 CO 0.05 -0.47 1.39 -2.30 0.02 0.00 0.00 175.30 173.99 2oi6 n PRO 334 N -1.80 1.42 0.00 3.54 -0.02 -0.95 -1.59 135.00 135.60 2oi6 n PRO 334 Ca 0.05 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2oi6 n PRO 334 Cb 0.62 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 2oi6 n PRO 334 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oi6 n GLY 335 N 2.72 0.48 3.70 -1.23 0.00 -0.66 -2.00 105.19 108.20 2oi6 n GLY 335 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2oi6 n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi6 s ALA 336 N -2.14 3.69 -0.05 4.61 0.00 -0.62 -2.90 121.76 124.35 2oi6 s ALA 336 Ca 0.00 1.20 0.02 0.00 0.00 0.00 0.00 51.96 53.18 2oi6 s ALA 336 Cb 0.00 -3.64 0.02 0.00 0.00 0.00 0.00 23.12 19.50 2oi6 s ALA 336 CO 0.00 -0.92 -0.07 -1.21 0.00 0.00 0.00 175.76 173.56 2oi6 s GLU 337 N 1.96 1.10 -0.09 0.00 2.02 -0.17 -1.46 118.70 122.06 2oi6 s GLU 337 Ca 0.70 -0.23 0.05 0.00 0.02 0.00 0.00 54.97 55.51 2oi6 s GLU 337 Cb -0.40 -1.00 -0.00 0.00 0.10 0.00 0.00 34.13 32.83 2oi6 s GLU 337 CO 0.31 -0.01 -0.24 -0.51 0.02 0.00 0.00 175.26 174.82 2oi6 s LEU 338 N 0.70 2.08 0.76 1.80 1.02 -0.48 0.08 118.68 124.65 2oi6 s LEU 338 Ca -0.11 -0.54 -0.02 0.00 0.02 0.00 0.00 54.13 53.47 2oi6 s LEU 338 Cb -0.14 -1.39 0.14 0.00 0.02 0.00 0.00 46.19 44.83 2oi6 s LEU 338 CO 0.01 0.18 1.04 -0.76 0.02 0.00 0.00 176.35 176.85 2oi6 s LEU 339 N 0.19 2.93 0.12 1.79 1.43 0.24 -1.51 118.68 123.88 2oi6 s LEU 339 Ca -0.14 -0.37 -0.35 0.00 -1.03 0.00 0.00 54.13 52.24 2oi6 s LEU 339 Cb -0.17 -1.89 -0.16 0.00 0.03 0.00 0.00 46.19 44.01 2oi6 s LEU 339 CO 0.07 -2.02 1.40 1.21 0.23 0.00 0.00 176.35 177.24 2oi6 n GLU 340 N -2.96 1.47 -0.84 1.70 2.13 -1.26 -1.47 120.64 119.41 2oi6 n GLU 340 Ca 0.16 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.51 2oi6 n GLU 340 Cb 0.61 -2.20 0.00 0.00 0.27 0.00 0.00 31.44 30.12 2oi6 n GLU 340 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2oi6 n GLY 341 N 2.72 0.46 3.72 8.31 0.00 -0.48 -0.83 105.19 119.09 2oi6 n GLY 341 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2oi6 n GLY 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi6 s ALA 342 N -2.31 1.97 -0.04 4.61 0.00 -0.54 -3.98 121.76 121.48 2oi6 s ALA 342 Ca 0.00 0.59 0.01 0.00 0.00 0.00 0.00 51.96 52.55 2oi6 s ALA 342 Cb 0.00 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.75 2oi6 s ALA 342 CO 0.00 -2.08 -0.03 -1.58 0.00 0.00 0.00 175.76 172.07 2oi6 s HIS 343 N -2.49 0.60 -0.13 0.00 2.46 0.62 -1.99 115.29 114.35 2oi6 s HIS 343 Ca 0.67 -0.13 0.02 0.00 0.47 0.00 0.00 55.06 56.09 2oi6 s HIS 343 Cb -0.23 -0.55 0.01 0.00 -0.13 0.00 0.00 32.58 31.68 2oi6 s HIS 343 CO 0.52 -0.15 -0.20 0.08 -2.47 0.00 0.00 174.74 172.51 2oi6 s VAL 344 N 0.83 1.91 0.00 0.89 1.01 -0.70 -0.11 120.40 124.23 2oi6 s VAL 344 Ca -0.10 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2oi6 s VAL 344 Cb -0.13 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.54 2oi6 s VAL 344 CO -0.00 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.23 2oi6 n GLY 345 N 4.11 1.59 3.78 4.51 0.00 0.10 -1.03 105.19 118.26 2oi6 n GLY 345 Ca -0.20 -1.84 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 2oi6 n GLY 345 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oi6 s ASN 346 N -1.00 7.31 -1.20 1.61 6.03 -1.10 -3.91 114.94 122.68 2oi6 s ASN 346 Ca 0.00 1.82 -0.04 0.00 -1.03 0.00 0.00 52.86 53.61 2oi6 s ASN 346 Cb 0.00 -2.57 0.00 0.00 -3.03 0.00 0.00 41.25 35.65 2oi6 s ASN 346 CO 0.00 -0.08 1.03 0.49 -2.03 0.00 0.00 177.10 176.51 2oi6 n PHE 347 N 0.50 -2.38 -5.10 1.54 3.72 0.24 -2.20 117.46 113.78 2oi6 n PHE 347 Ca 0.02 0.92 -0.29 0.00 -0.05 0.00 0.00 57.45 58.05 2oi6 n PHE 347 Cb 0.50 -4.86 -0.16 0.00 -0.94 0.00 0.00 39.48 34.02 2oi6 n PHE 347 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2oi6 s VAL 348 N -3.32 1.80 -0.04 -4.37 1.01 -1.24 -1.69 120.40 112.54 2oi6 s VAL 348 Ca 0.26 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.36 2oi6 s VAL 348 Cb -0.12 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 2oi6 s VAL 348 CO 0.69 0.51 -0.20 -0.70 0.00 0.00 0.00 175.10 175.39 2oi6 s GLU 349 N -0.17 1.99 -0.02 2.72 2.12 -0.01 -0.51 118.70 124.83 2oi6 s GLU 349 Ca -0.01 -0.71 0.03 0.00 0.36 0.00 0.00 54.97 54.64 2oi6 s GLU 349 Cb -0.12 -1.73 -0.00 0.00 0.26 0.00 0.00 34.13 32.53 2oi6 s GLU 349 CO 0.02 0.31 -0.11 -1.64 -0.54 0.00 0.00 175.26 173.30 2oi6 s MET 350 N -0.09 0.99 -0.12 4.30 -1.94 -0.75 -0.99 119.30 120.69 2oi6 s MET 350 Ca -0.02 -0.39 -0.05 0.00 -1.71 0.00 0.00 55.69 53.52 2oi6 s MET 350 Cb -0.12 -0.94 0.06 0.00 2.01 0.00 0.00 34.83 35.84 2oi6 s MET 350 CO 0.02 0.20 0.27 0.21 -0.01 0.00 0.00 175.02 175.71 2oi6 s LYS 351 N -0.10 0.19 -1.29 2.03 2.20 -0.33 -0.57 119.74 121.87 2oi6 s LYS 351 Ca 0.01 0.66 -0.22 0.00 -0.36 0.00 0.00 55.97 56.06 2oi6 s LYS 351 Cb -0.06 -0.07 0.02 0.00 -1.51 0.00 0.00 37.83 36.21 2oi6 s LYS 351 CO 0.00 -0.22 0.54 1.63 -0.36 0.00 0.00 175.35 176.94 2oi6 n LYS 352 N 4.76 -0.87 -3.79 4.03 4.76 -0.85 -0.85 118.16 125.35 2oi6 n LYS 352 Ca -0.16 0.18 -0.13 0.00 -2.87 0.00 0.00 58.31 55.33 2oi6 n LYS 352 Cb 0.52 -3.23 -0.13 0.00 -1.84 0.00 0.00 35.03 30.35 2oi6 n LYS 352 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2oi6 s ALA 353 N -3.74 -0.35 -0.14 7.82 0.00 -1.14 -1.01 121.76 123.19 2oi6 s ALA 353 Ca 0.34 0.53 -0.02 0.00 0.00 0.00 0.00 51.96 52.81 2oi6 s ALA 353 Cb -0.17 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 2oi6 s ALA 353 CO 0.95 -0.10 -0.07 0.50 0.00 0.00 0.00 175.76 177.04 2oi6 s ARG 354 N 0.47 3.53 -0.20 0.00 3.52 -0.23 -0.99 118.95 125.04 2oi6 s ARG 354 Ca -0.03 -0.57 -0.04 0.00 -0.13 0.00 0.00 55.73 54.96 2oi6 s ARG 354 Cb -0.05 -2.81 -0.02 0.00 -1.56 0.00 0.00 34.95 30.52 2oi6 s ARG 354 CO -0.02 0.27 -0.03 -1.17 -0.81 0.00 0.00 175.30 173.53 2oi6 s LEU 355 N 0.27 3.05 0.00 -0.88 2.96 0.11 -1.23 118.68 122.96 2oi6 s LEU 355 Ca -0.05 -0.29 -0.16 0.00 -0.22 0.00 0.00 54.13 53.41 2oi6 s LEU 355 Cb -0.14 -1.76 0.23 0.00 0.50 0.00 0.00 46.19 45.01 2oi6 s LEU 355 CO 0.04 0.04 0.96 0.61 -1.32 0.00 0.00 176.35 176.68 2oi6 n GLY 356 N 4.38 -2.33 3.72 7.98 0.00 0.02 -0.59 105.19 118.36 2oi6 n GLY 356 Ca -0.18 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 2oi6 n GLY 356 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2oi6 n LYS 357 N -3.98 2.66 -1.00 1.61 5.02 -1.26 -1.44 118.16 119.78 2oi6 n LYS 357 Ca 0.13 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.38 2oi6 n LYS 357 Cb 0.48 -2.77 0.00 0.00 -0.02 0.00 0.00 35.03 32.72 2oi6 n LYS 357 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2oi6 n GLY 358 N 3.40 0.09 3.84 0.72 0.00 -0.01 -0.76 105.19 112.47 2oi6 n GLY 358 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2oi6 n GLY 358 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2oi6 s SER 359 N -2.00 6.75 -0.04 1.61 0.01 -0.52 -4.41 113.70 115.10 2oi6 s SER 359 Ca 0.00 1.51 0.03 0.00 1.31 0.00 0.00 55.95 58.79 2oi6 s SER 359 Cb 0.00 -2.47 0.01 0.00 0.21 0.00 0.00 66.02 63.76 2oi6 s SER 359 CO 0.00 -0.41 -0.11 -0.54 0.41 0.00 0.00 173.24 172.59 2oi6 s LYS 360 N -3.53 1.28 -0.48 12.44 1.02 0.17 -0.28 119.74 130.37 2oi6 s LYS 360 Ca 0.58 -0.36 0.03 0.00 0.02 0.00 0.00 55.97 56.24 2oi6 s LYS 360 Cb -0.10 -1.14 0.14 0.00 -0.52 0.00 0.00 37.83 36.22 2oi6 s LYS 360 CO 0.22 0.09 0.27 0.00 -0.92 0.00 0.00 175.35 175.02 2oi6 s ALA 361 N 0.37 2.48 -0.47 5.17 0.00 0.84 -0.38 121.76 129.76 2oi6 s ALA 361 Ca -0.07 -2.83 0.24 0.00 0.00 0.00 0.00 51.96 49.30 2oi6 s ALA 361 Cb -0.12 -1.95 0.48 0.00 0.00 0.00 0.00 23.12 21.54 2oi6 s ALA 361 CO 0.02 -2.05 1.66 0.78 0.00 0.00 0.00 175.76 176.16 2oi6 h GLY 362 N 6.49 0.00 -4.83 0.00 0.00 -1.78 0.30 103.07 103.25 2oi6 h GLY 362 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.41 2oi6 h GLY 362 CO 0.54 0.00 0.50 -2.38 0.00 0.00 0.00 176.54 175.19 2oi6 s HIS 363 N -3.21 -0.42 -1.36 5.60 -3.43 -1.26 -2.71 115.29 108.50 2oi6 s HIS 363 Ca 0.07 0.87 -0.13 0.00 -0.80 0.00 0.00 55.06 55.07 2oi6 s HIS 363 Cb 0.07 0.41 0.01 0.00 -1.43 0.00 0.00 32.58 31.64 2oi6 s HIS 363 CO 0.65 -0.30 0.41 1.28 -2.00 0.00 0.00 174.74 174.77 2oi6 n LEU 364 N 1.36 -1.30 -4.07 5.38 4.77 -0.68 -1.88 117.00 120.58 2oi6 n LEU 364 Ca -0.11 -1.19 -0.13 0.00 -0.03 0.00 0.00 56.01 54.55 2oi6 n LEU 364 Cb 0.57 -1.86 -0.11 0.00 -2.33 0.00 0.00 43.42 39.69 2oi6 n LEU 364 CO 0.11 0.57 -0.40 -0.89 -1.33 0.00 0.00 177.39 175.44 2oi6 s THR 365 N -3.91 0.55 -0.16 -5.08 2.01 -0.83 -1.39 115.64 106.85 2oi6 s THR 365 Ca 0.21 -1.12 0.00 0.00 0.31 0.00 0.00 61.69 61.10 2oi6 s THR 365 Cb -0.10 -0.66 0.03 0.00 0.01 0.00 0.00 72.50 71.78 2oi6 s THR 365 CO 0.95 -0.40 -0.13 -0.47 -0.69 0.00 0.00 174.62 173.88 2oi6 s TYR 366 N -1.47 2.19 -0.25 4.92 5.04 -0.89 -0.83 117.35 126.06 2oi6 s TYR 366 Ca -0.09 -1.28 0.02 0.00 -2.44 0.00 0.00 57.07 53.28 2oi6 s TYR 366 Cb -0.09 -1.59 0.05 0.00 0.35 0.00 0.00 41.96 40.68 2oi6 s TYR 366 CO 0.00 -0.68 -0.11 -0.51 -1.34 0.00 0.00 175.55 172.91 2oi6 s LEU 367 N 1.48 3.34 -0.03 6.97 1.43 -0.16 -1.73 118.68 129.97 2oi6 s LEU 367 Ca 0.04 -1.29 0.03 0.00 -1.03 0.00 0.00 54.13 51.88 2oi6 s LEU 367 Cb -0.14 -1.56 -0.00 0.00 0.03 0.00 0.00 46.19 44.52 2oi6 s LEU 367 CO -0.10 -0.17 -0.12 -0.83 0.23 0.00 0.00 176.35 175.35 2oi6 s GLY 368 N 1.14 0.68 -1.09 -3.19 0.00 -1.26 -1.19 107.32 102.41 2oi6 s GLY 368 Ca -0.07 -0.48 -0.16 0.00 0.00 0.00 0.00 44.72 44.01 2oi6 s GLY 368 CO -0.06 -0.21 0.81 1.22 0.00 0.00 0.00 173.10 174.86 2oi6 n ASP 369 N 3.20 -5.71 -3.98 1.64 8.00 -0.03 -4.73 116.55 114.94 2oi6 n ASP 369 Ca -0.18 -0.91 -0.09 0.00 0.71 0.00 0.00 54.79 54.32 2oi6 n ASP 369 Cb 0.54 -3.75 -0.10 0.00 -0.02 0.00 0.00 41.12 37.79 2oi6 n ASP 369 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2oi6 s ALA 370 N -3.40 0.11 -0.17 2.24 0.00 -0.92 -0.88 121.76 118.74 2oi6 s ALA 370 Ca 0.43 -0.68 -0.00 0.00 0.00 0.00 0.00 51.96 51.71 2oi6 s ALA 370 Cb -0.14 0.21 0.04 0.00 0.00 0.00 0.00 23.12 23.23 2oi6 s ALA 370 CO 0.84 -0.26 -0.06 -1.21 0.00 0.00 0.00 175.76 175.06 2oi6 s GLU 371 N -2.36 1.58 -0.13 0.00 2.02 0.31 -1.07 118.70 119.05 2oi6 s GLU 371 Ca -0.07 -0.59 0.02 0.00 0.02 0.00 0.00 54.97 54.35 2oi6 s GLU 371 Cb -0.03 -2.09 -0.00 0.00 0.10 0.00 0.00 34.13 32.11 2oi6 s GLU 371 CO -0.04 -0.43 -0.19 0.42 0.02 0.00 0.00 175.26 175.04 2oi6 s ILE 372 N 1.58 2.37 0.00 -1.63 1.01 -0.36 -0.40 121.20 123.77 2oi6 s ILE 372 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.76 2oi6 s ILE 372 Cb -0.15 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.36 2oi6 s ILE 372 CO -0.08 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.01 2oi6 n GLY 373 N 3.80 -2.58 3.86 6.18 0.00 0.58 -0.80 105.19 116.23 2oi6 n GLY 373 Ca -0.19 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 2oi6 n GLY 373 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2oi6 s ASP 374 N -1.58 6.66 -1.49 1.61 1.01 -1.26 -2.77 116.67 118.86 2oi6 s ASP 374 Ca 0.00 1.17 -0.05 0.00 0.71 0.00 0.00 52.55 54.38 2oi6 s ASP 374 Cb 0.00 -2.33 0.02 0.00 1.01 0.00 0.00 42.92 41.62 2oi6 s ASP 374 CO 0.00 -0.25 0.53 -3.20 0.21 0.00 0.00 175.17 172.45 2oi6 n ASN 375 N -0.66 -5.47 -4.87 0.27 5.15 0.06 -1.31 115.26 108.43 2oi6 n ASN 375 Ca 0.03 -0.28 -0.35 0.00 -0.60 0.00 0.00 54.58 53.37 2oi6 n ASN 375 Cb 0.53 -4.45 -0.06 0.00 -0.53 0.00 0.00 39.78 35.28 2oi6 n ASN 375 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2oi6 s VAL 376 N -3.09 5.24 -0.20 3.44 1.01 -1.26 -3.82 120.40 121.72 2oi6 s VAL 376 Ca 0.30 0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.62 2oi6 s VAL 376 Cb -0.14 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.66 2oi6 s VAL 376 CO 0.37 0.41 -0.14 0.21 0.00 0.00 0.00 175.10 175.95 2oi6 s ASN 377 N -1.53 3.57 -0.38 3.32 3.84 -0.30 -0.65 114.94 122.80 2oi6 s ASN 377 Ca 0.27 -0.59 -0.13 0.00 0.21 0.00 0.00 52.86 52.62 2oi6 s ASN 377 Cb -0.14 -1.57 0.02 0.00 -0.55 0.00 0.00 41.25 39.01 2oi6 s ASN 377 CO 0.15 -0.01 0.26 -0.63 -2.79 0.00 0.00 177.10 174.07 2oi6 s ILE 378 N 1.35 5.02 0.73 -5.21 -1.09 0.49 -0.77 121.20 121.72 2oi6 s ILE 378 Ca 0.05 -0.65 -0.14 0.00 -2.23 0.00 0.00 60.65 57.68 2oi6 s ILE 378 Cb -0.14 -3.76 0.04 0.00 -1.58 0.00 0.00 42.46 37.02 2oi6 s ILE 378 CO -0.09 -0.23 1.15 -0.83 -1.23 0.00 0.00 174.94 173.71 2oi6 s GLY 379 N 1.64 2.13 0.33 6.18 0.00 0.73 -4.04 107.32 114.30 2oi6 s GLY 379 Ca 0.04 0.66 -0.26 0.00 0.00 0.00 0.00 44.72 45.15 2oi6 s GLY 379 CO 0.09 1.04 0.92 0.00 0.00 0.00 0.00 173.10 175.14 2oi6 n ALA 380 N -2.85 -0.45 -0.97 3.20 0.00 -1.26 -2.34 120.51 115.84 2oi6 n ALA 380 Ca 0.12 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2oi6 n ALA 380 Cb 0.51 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.99 2oi6 n ALA 380 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oi6 n GLY 381 N 1.33 0.87 3.77 0.00 0.00 -0.48 -0.29 105.19 110.38 2oi6 n GLY 381 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 2oi6 n GLY 381 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oi6 s THR 382 N -3.53 3.16 -0.03 2.61 2.01 -0.99 -3.89 115.64 114.98 2oi6 s THR 382 Ca 0.00 1.03 -0.00 0.00 0.31 0.00 0.00 61.69 63.03 2oi6 s THR 382 Cb 0.00 -3.61 0.03 0.00 0.01 0.00 0.00 72.50 68.93 2oi6 s THR 382 CO 0.00 0.15 0.01 -0.63 -0.69 0.00 0.00 174.62 173.46 2oi6 s ILE 383 N -1.33 0.11 -0.29 1.82 1.01 -0.32 -2.11 121.20 120.10 2oi6 s ILE 383 Ca 0.53 0.15 -0.22 0.00 0.00 0.00 0.00 60.65 61.12 2oi6 s ILE 383 Cb -0.32 -0.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.90 2oi6 s ILE 383 CO 0.41 0.15 0.72 0.42 0.00 0.00 0.00 174.94 176.63 2oi6 s THR 384 N 1.23 4.88 -0.95 2.92 -4.23 -0.71 -1.07 115.64 117.72 2oi6 s THR 384 Ca -0.07 1.14 -0.19 0.00 -1.18 0.00 0.00 61.69 61.39 2oi6 s THR 384 Cb -0.13 -4.06 0.13 0.00 1.34 0.00 0.00 72.50 69.78 2oi6 s THR 384 CO -0.02 -0.14 1.16 0.00 -0.54 0.00 0.00 174.62 175.08 2oi6 n ASN 386 N 6.67 1.39 -4.09 0.00 6.94 -1.26 -2.00 115.26 122.90 2oi6 n ASN 386 Ca 0.25 -1.20 -0.26 0.00 -0.02 0.00 0.00 54.58 53.36 2oi6 n ASN 386 Cb 0.49 0.13 -0.16 0.00 -2.36 0.00 0.00 39.78 37.88 2oi6 n ASN 386 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 2oi6 s TYR 387 N -2.34 1.63 -1.05 -2.53 5.04 -1.26 0.36 117.35 117.21 2oi6 s TYR 387 Ca 0.27 -0.53 0.14 0.00 -2.44 0.00 0.00 57.07 54.51 2oi6 s TYR 387 Cb 0.20 -1.13 0.42 0.00 0.35 0.00 0.00 41.96 41.79 2oi6 s TYR 387 CO 0.46 -0.22 1.35 -0.40 -1.34 0.00 0.00 175.55 175.40 2oi6 n ASP 388 N 3.42 3.34 0.00 4.32 5.68 -0.85 -4.94 116.55 127.52 2oi6 n ASP 388 Ca -0.20 -2.13 0.00 0.00 -0.50 0.00 0.00 54.79 51.96 2oi6 n ASP 388 Cb 0.53 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 2oi6 n ASP 388 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2oi6 n GLY 389 N 0.66 0.99 0.00 6.12 0.00 -1.26 -4.78 105.19 106.92 2oi6 n GLY 389 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2oi6 n GLY 389 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi6 n ALA 390 N -1.48 0.63 -2.44 4.61 0.00 -1.26 -5.13 120.51 115.45 2oi6 n ALA 390 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 2oi6 n ALA 390 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2oi6 n ALA 390 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2oi6 s ASN 391 N -1.17 3.27 0.00 0.00 -0.87 -1.26 -5.14 114.94 109.77 2oi6 s ASN 391 Ca 0.00 -1.00 0.04 0.00 -1.57 0.00 0.00 52.86 50.33 2oi6 s ASN 391 Cb 0.00 -0.25 -0.03 0.00 -0.02 0.00 0.00 41.25 40.95 2oi6 s ASN 391 CO 0.00 -0.01 -0.10 -0.54 -2.57 0.00 0.00 177.10 173.89 2oi6 s LYS 392 N -3.40 2.46 0.09 -0.60 -0.14 -1.26 -2.01 119.74 114.88 2oi6 s LYS 392 Ca 0.26 -0.76 0.05 0.00 -1.36 0.00 0.00 55.97 54.16 2oi6 s LYS 392 Cb -0.04 -2.43 -0.03 0.00 -1.68 0.00 0.00 37.83 33.64 2oi6 s LYS 392 CO 0.12 0.60 -0.12 -0.06 -0.76 0.00 0.00 175.35 175.12 2oi6 s PHE 393 N -0.95 1.18 0.08 3.18 0.40 0.16 -4.99 117.98 117.04 2oi6 s PHE 393 Ca 0.16 -0.55 -0.18 0.00 -0.60 0.00 0.00 56.93 55.76 2oi6 s PHE 393 Cb -0.11 -0.64 -0.07 0.00 0.51 0.00 0.00 43.02 42.71 2oi6 s PHE 393 CO 0.06 0.05 0.55 0.21 0.70 0.00 0.00 175.22 176.79 2oi6 s LYS 394 N -2.34 4.12 -0.16 0.44 2.20 -1.26 -4.59 119.74 118.15 2oi6 s LYS 394 Ca 0.03 0.65 -0.03 0.00 -0.36 0.00 0.00 55.97 56.26 2oi6 s LYS 394 Cb -0.06 -3.18 -0.02 0.00 -1.51 0.00 0.00 37.83 33.06 2oi6 s LYS 394 CO 0.02 0.62 -0.05 0.99 -0.36 0.00 0.00 175.35 176.56 2oi6 s THR 395 N -1.17 3.74 -0.13 3.43 2.01 -0.05 -2.64 115.64 120.81 2oi6 s THR 395 Ca 0.30 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.91 2oi6 s THR 395 Cb -0.18 -2.63 0.00 0.00 0.01 0.00 0.00 72.50 69.70 2oi6 s THR 395 CO 0.18 0.49 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.76 2oi6 s ILE 396 N 0.43 2.17 -0.14 1.82 1.01 -0.30 -0.53 121.20 125.65 2oi6 s ILE 396 Ca -0.05 -0.95 -0.00 0.00 0.00 0.00 0.00 60.65 59.65 2oi6 s ILE 396 Cb -0.14 -1.86 0.03 0.00 0.01 0.00 0.00 42.46 40.49 2oi6 s ILE 396 CO 0.03 0.55 -0.11 -0.63 0.00 0.00 0.00 174.94 174.78 2oi6 s ILE 397 N 0.66 1.32 1.20 2.92 1.01 0.47 0.26 121.20 129.03 2oi6 s ILE 397 Ca -0.10 -0.50 -0.20 0.00 0.00 0.00 0.00 60.65 59.84 2oi6 s ILE 397 Cb -0.16 -1.29 0.29 0.00 0.01 0.00 0.00 42.46 41.30 2oi6 s ILE 397 CO 0.02 0.39 1.16 -0.83 0.00 0.00 0.00 174.94 175.68 2oi6 s GLY 398 N 1.58 1.63 0.78 6.18 0.00 0.22 -0.30 107.32 117.41 2oi6 s GLY 398 Ca 0.05 -1.11 -0.11 0.00 0.00 0.00 0.00 44.72 43.54 2oi6 s GLY 398 CO -0.09 -0.20 1.11 0.99 0.00 0.00 0.00 173.10 174.91 2oi6 s ASP 399 N -4.17 4.32 -1.93 1.64 1.01 -1.26 -3.74 116.67 112.53 2oi6 s ASP 399 Ca 0.73 1.93 0.00 0.00 0.71 0.00 0.00 52.55 55.92 2oi6 s ASP 399 Cb -0.07 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.33 2oi6 s ASP 399 CO 0.55 -2.16 0.00 0.47 0.21 0.00 0.00 175.17 174.24 2oi6 n ASP 400 N -3.45 -5.57 -4.80 0.27 8.00 -0.43 -0.44 116.55 110.14 2oi6 n ASP 400 Ca 0.10 0.24 -0.39 0.00 0.71 0.00 0.00 54.79 55.45 2oi6 n ASP 400 Cb 0.53 -4.77 -0.06 0.00 -0.02 0.00 0.00 41.12 36.79 2oi6 n ASP 400 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2oi6 s VAL 401 N -2.87 4.74 -0.30 2.53 1.01 -1.24 -3.68 120.40 120.59 2oi6 s VAL 401 Ca 0.00 1.24 -0.04 0.00 0.00 0.00 0.00 61.98 63.18 2oi6 s VAL 401 Cb 0.00 -3.91 0.03 0.00 0.00 0.00 0.00 36.38 32.50 2oi6 s VAL 401 CO 0.00 0.54 0.03 0.12 0.00 0.00 0.00 175.10 175.79 2oi6 s PHE 402 N -1.00 3.20 -0.39 5.22 5.36 -0.60 -1.15 117.98 128.62 2oi6 s PHE 402 Ca 0.30 -1.51 -0.14 0.00 -0.96 0.00 0.00 56.93 54.62 2oi6 s PHE 402 Cb -0.20 -2.17 0.01 0.00 -0.34 0.00 0.00 43.02 40.33 2oi6 s PHE 402 CO 0.19 -0.72 0.27 0.08 -1.46 0.00 0.00 175.22 173.58 2oi6 s VAL 403 N 1.36 5.14 0.75 3.12 1.01 0.05 -0.73 120.40 131.10 2oi6 s VAL 403 Ca -0.02 -0.60 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 2oi6 s VAL 403 Cb -0.19 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.42 2oi6 s VAL 403 CO -0.00 -0.23 1.16 0.61 0.00 0.00 0.00 175.10 176.64 2oi6 n GLY 404 N 5.12 0.01 3.53 4.51 0.00 0.12 -0.19 105.19 118.29 2oi6 n GLY 404 Ca -0.11 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 2oi6 n GLY 404 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2oi6 n SER 405 N -2.55 -0.26 -3.28 1.61 7.64 -1.26 -3.18 113.62 112.35 2oi6 n SER 405 Ca 0.14 0.77 -0.24 0.00 1.01 0.00 0.00 58.87 60.55 2oi6 n SER 405 Cb 0.50 -1.27 0.02 0.00 -1.01 0.00 0.00 64.21 62.45 2oi6 n SER 405 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2oi6 n ASP 406 N -0.05 -4.95 -4.79 6.43 2.03 0.60 -0.42 116.55 115.41 2oi6 n ASP 406 Ca 0.13 -0.39 -0.38 0.00 0.52 0.00 0.00 54.79 54.67 2oi6 n ASP 406 Cb 0.47 -4.02 -0.06 0.00 -0.72 0.00 0.00 41.12 36.79 2oi6 n ASP 406 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2oi6 s THR 407 N -3.09 4.95 -0.20 5.18 2.01 -1.19 -3.78 115.64 119.52 2oi6 s THR 407 Ca 0.39 1.08 -0.06 0.00 0.31 0.00 0.00 61.69 63.40 2oi6 s THR 407 Cb -0.19 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 2oi6 s THR 407 CO 0.48 0.48 0.03 -1.10 -0.69 0.00 0.00 174.62 173.82 2oi6 s GLN 408 N -0.49 3.77 -0.36 4.92 1.11 -0.05 -1.18 119.66 127.38 2oi6 s GLN 408 Ca 0.28 -0.45 -0.10 0.00 0.01 0.00 0.00 55.36 55.10 2oi6 s GLN 408 Cb -0.18 -3.16 0.02 0.00 -1.01 0.00 0.00 33.01 28.68 2oi6 s GLN 408 CO 0.15 0.09 0.18 -0.51 0.01 0.00 0.00 175.29 175.22 2oi6 s LEU 409 N 0.83 4.54 -0.63 2.90 1.43 -0.23 -0.24 118.68 127.28 2oi6 s LEU 409 Ca 0.02 -0.92 -0.23 0.00 -1.03 0.00 0.00 54.13 51.96 2oi6 s LEU 409 Cb -0.14 -2.00 0.06 0.00 0.03 0.00 0.00 46.19 44.14 2oi6 s LEU 409 CO 0.02 -0.34 0.98 -0.69 0.23 0.00 0.00 176.35 176.55 2oi6 s VAL 410 N 1.54 4.30 0.64 -1.59 1.01 1.00 -0.49 120.40 126.82 2oi6 s VAL 410 Ca 0.02 -0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.75 2oi6 s VAL 410 Cb -0.19 -4.65 -0.01 0.00 0.00 0.00 0.00 36.38 31.53 2oi6 s VAL 410 CO 0.06 -1.37 1.13 0.00 0.00 0.00 0.00 175.10 174.92 2oi6 s ALA 411 N 4.16 2.47 0.18 5.51 0.00 -0.85 -4.25 121.76 128.97 2oi6 s ALA 411 Ca 0.26 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 2oi6 s ALA 411 Cb -0.15 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.55 2oi6 s ALA 411 CO 0.13 -1.26 1.03 -1.25 0.00 0.00 0.00 175.76 174.42 2oi6 s PRO 412 N -3.89 4.68 0.03 0.00 0.04 -1.26 -4.85 135.00 129.75 2oi6 s PRO 412 Ca 0.69 1.60 -0.28 0.00 0.04 0.00 0.00 61.00 63.05 2oi6 s PRO 412 Cb -0.23 -3.30 0.07 0.00 0.04 0.00 0.00 34.50 31.08 2oi6 s PRO 412 CO 0.39 0.21 0.66 0.54 0.04 0.00 0.00 177.00 178.84 2oi6 s VAL 413 N -0.42 0.00 -0.06 -0.36 0.11 -1.08 -4.90 120.40 113.68 2oi6 s VAL 413 Ca 0.47 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.54 2oi6 s VAL 413 Cb -0.27 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.59 2oi6 s VAL 413 CO 0.33 0.00 -0.13 -0.89 -3.33 0.00 0.00 175.10 171.08 2oi6 s THR 414 N -2.17 1.18 -0.26 5.04 2.01 -1.26 -1.15 115.64 119.03 2oi6 s THR 414 Ca -0.06 -0.52 -0.05 0.00 0.31 0.00 0.00 61.69 61.37 2oi6 s THR 414 Cb -0.00 -1.07 0.00 0.00 0.01 0.00 0.00 72.50 71.44 2oi6 s THR 414 CO 0.01 0.36 0.02 -0.69 -0.69 0.00 0.00 174.62 173.63 2oi6 s VAL 415 N 0.56 3.65 0.77 3.82 1.01 0.14 -1.01 120.40 129.34 2oi6 s VAL 415 Ca -0.13 -0.65 -0.13 0.00 0.00 0.00 0.00 61.98 61.07 2oi6 s VAL 415 Cb -0.15 -2.80 0.06 0.00 0.00 0.00 0.00 36.38 33.49 2oi6 s VAL 415 CO 0.04 0.22 1.14 -0.83 0.00 0.00 0.00 175.10 175.67 2oi6 s GLY 416 N 1.47 1.98 0.38 4.51 0.00 0.50 -0.61 107.32 115.57 2oi6 s GLY 416 Ca 0.03 0.59 -0.26 0.00 0.00 0.00 0.00 44.72 45.09 2oi6 s GLY 416 CO -0.00 0.98 1.11 1.17 0.00 0.00 0.00 173.10 176.36 2oi6 n LYS 417 N -3.23 1.61 -0.31 2.90 4.81 -1.26 -2.17 118.16 120.51 2oi6 n LYS 417 Ca 0.11 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 2oi6 n LYS 417 Cb 0.52 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 33.44 2oi6 n LYS 417 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2oi6 n GLY 418 N 1.04 1.63 3.68 3.14 0.00 0.42 -1.42 105.19 113.67 2oi6 n GLY 418 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 2oi6 n GLY 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi6 s ALA 419 N -2.68 1.42 -0.05 4.61 0.00 -0.92 -4.01 121.76 120.13 2oi6 s ALA 419 Ca 0.00 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.42 2oi6 s ALA 419 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2oi6 s ALA 419 CO 0.00 -2.67 -0.15 0.99 0.00 0.00 0.00 175.76 173.93 2oi6 s THR 420 N -2.69 1.29 -0.18 0.00 2.01 -0.14 -1.56 115.64 114.37 2oi6 s THR 420 Ca 0.66 -0.62 -0.02 0.00 0.31 0.00 0.00 61.69 62.02 2oi6 s THR 420 Cb -0.22 -1.13 -0.01 0.00 0.01 0.00 0.00 72.50 71.15 2oi6 s THR 420 CO 0.58 0.38 -0.10 -0.63 -0.69 0.00 0.00 174.62 174.16 2oi6 s ILE 421 N 0.25 3.04 0.61 1.82 1.01 0.09 -0.36 121.20 127.65 2oi6 s ILE 421 Ca -0.08 -0.63 -0.19 0.00 0.00 0.00 0.00 60.65 59.76 2oi6 s ILE 421 Cb -0.13 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 39.99 2oi6 s ILE 421 CO 0.03 0.48 1.25 0.00 0.00 0.00 0.00 174.94 176.70 2oi6 s ALA 422 N 1.03 2.50 0.43 9.38 0.00 -0.27 0.10 121.76 134.94 2oi6 s ALA 422 Ca -0.00 1.11 -0.25 0.00 0.00 0.00 0.00 51.96 52.81 2oi6 s ALA 422 Cb -0.15 -3.50 -0.09 0.00 0.00 0.00 0.00 23.12 19.38 2oi6 s ALA 422 CO -0.02 -1.33 1.29 0.00 0.00 0.00 0.00 175.76 175.70 2oi6 n ALA 423 N -1.66 1.37 -1.15 0.00 0.00 -1.26 -2.50 120.51 115.32 2oi6 n ALA 423 Ca 0.14 0.25 -0.05 0.00 0.00 0.00 0.00 53.44 53.79 2oi6 n ALA 423 Cb 0.49 -2.28 -0.02 0.00 0.00 0.00 0.00 19.45 17.63 2oi6 n ALA 423 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oi6 n GLY 424 N 0.79 0.76 3.80 0.00 0.00 0.44 -4.94 105.19 106.05 2oi6 n GLY 424 Ca 0.07 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 2oi6 n GLY 424 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oi6 s THR 425 N -2.13 4.47 -0.33 2.61 2.01 -1.04 -4.84 115.64 116.39 2oi6 s THR 425 Ca 0.00 1.47 -0.09 0.00 0.31 0.00 0.00 61.69 63.38 2oi6 s THR 425 Cb 0.00 -3.94 0.01 0.00 0.01 0.00 0.00 72.50 68.58 2oi6 s THR 425 CO 0.00 0.26 0.15 -0.89 -0.69 0.00 0.00 174.62 173.45 2oi6 s THR 426 N -1.46 4.34 -0.41 -0.82 2.01 -1.26 -0.87 115.64 117.18 2oi6 s THR 426 Ca 0.43 -0.70 -0.15 0.00 0.31 0.00 0.00 61.69 61.57 2oi6 s THR 426 Cb -0.18 -3.31 0.02 0.00 0.01 0.00 0.00 72.50 69.03 2oi6 s THR 426 CO 0.22 -0.05 0.33 -0.69 -0.69 0.00 0.00 174.62 173.75 2oi6 s VAL 427 N 1.54 5.22 -0.36 3.82 1.01 0.67 -4.86 120.40 127.44 2oi6 s VAL 427 Ca 0.03 -0.54 0.10 0.00 0.00 0.00 0.00 61.98 61.57 2oi6 s VAL 427 Cb -0.18 -3.94 -0.12 0.00 0.00 0.00 0.00 36.38 32.14 2oi6 s VAL 427 CO 0.05 -0.31 0.38 0.35 0.00 0.00 0.00 175.10 175.57 2oi6 n THR 428 N 5.22 0.00 -4.24 3.92 -2.24 -1.26 -0.00 114.28 115.68 2oi6 n THR 428 Ca -0.10 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.29 2oi6 n THR 428 Cb 0.47 0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 69.42 2oi6 n THR 428 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2oi6 s ARG 429 N -2.16 1.04 0.55 -0.78 0.52 -1.26 -4.95 118.95 111.92 2oi6 s ARG 429 Ca 0.02 -1.46 -0.21 0.00 -0.52 0.00 0.00 55.73 53.56 2oi6 s ARG 429 Cb 0.07 -0.46 -0.05 0.00 0.52 0.00 0.00 34.95 35.03 2oi6 s ARG 429 CO 0.42 0.00 1.22 0.09 0.02 0.00 0.00 175.30 177.06 2oi6 n ASN 430 N -0.19 2.04 -4.49 0.23 3.02 -1.26 -4.76 115.26 109.85 2oi6 n ASN 430 Ca -0.10 0.93 -0.34 0.00 -0.03 0.00 0.00 54.58 55.05 2oi6 n ASN 430 Cb 0.61 -1.51 -0.12 0.00 -0.61 0.00 0.00 39.78 38.15 2oi6 n ASN 430 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2oi6 s VAL 431 N -1.35 3.65 0.81 2.41 1.01 -0.18 -4.98 120.40 121.78 2oi6 s VAL 431 Ca 0.73 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 62.14 2oi6 s VAL 431 Cb -0.43 -2.56 0.08 0.00 0.00 0.00 0.00 36.38 33.47 2oi6 s VAL 431 CO 0.49 0.52 1.09 -0.83 0.00 0.00 0.00 175.10 176.37 2oi6 s GLY 432 N 0.09 1.65 0.32 4.51 0.00 -1.26 -0.37 107.32 112.25 2oi6 s GLY 432 Ca -0.02 0.06 -0.29 0.00 0.00 0.00 0.00 44.72 44.47 2oi6 s GLY 432 CO 0.03 0.47 1.45 -0.54 0.00 0.00 0.00 173.10 174.51 2oi6 s GLU 433 N -4.96 4.21 -2.04 2.90 2.02 -1.26 -2.42 118.70 117.15 2oi6 s GLU 433 Ca 0.62 2.42 0.00 0.00 0.02 0.00 0.00 54.97 58.03 2oi6 s GLU 433 Cb -0.17 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 31.02 2oi6 s GLU 433 CO 0.56 -0.44 0.00 0.09 0.02 0.00 0.00 175.26 175.49 2oi6 n ASN 434 N 1.32 -5.29 -4.77 -0.19 3.02 -0.51 -4.85 115.26 104.00 2oi6 n ASN 434 Ca 0.03 0.41 -0.24 0.00 -0.03 0.00 0.00 54.58 54.76 2oi6 n ASN 434 Cb 0.40 -4.65 -0.06 0.00 -0.61 0.00 0.00 39.78 34.86 2oi6 n ASN 434 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2oi6 s ALA 435 N -2.73 3.46 -0.23 5.41 0.00 -1.01 -4.82 121.76 121.85 2oi6 s ALA 435 Ca 0.00 -1.39 -0.14 0.00 0.00 0.00 0.00 51.96 50.43 2oi6 s ALA 435 Cb 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 2oi6 s ALA 435 CO 0.00 0.36 0.34 -1.17 0.00 0.00 0.00 175.76 175.28 2oi6 s LEU 436 N -3.48 4.12 -0.05 0.00 2.96 -1.26 -0.96 118.68 120.00 2oi6 s LEU 436 Ca 0.31 0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 54.55 2oi6 s LEU 436 Cb -0.08 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 2oi6 s LEU 436 CO 0.23 -0.07 0.11 0.00 -1.32 0.00 0.00 176.35 175.30 2oi6 s ALA 437 N 1.44 3.73 0.02 5.97 0.00 0.51 -4.98 121.76 128.45 2oi6 s ALA 437 Ca 0.15 -0.77 -0.28 0.00 0.00 0.00 0.00 51.96 51.07 2oi6 s ALA 437 Cb -0.15 -1.76 0.07 0.00 0.00 0.00 0.00 23.12 21.28 2oi6 s ALA 437 CO 0.08 0.67 0.64 -1.50 0.00 0.00 0.00 175.76 175.65 2oi6 s ILE 438 N -1.14 0.00 -0.50 0.00 2.07 -1.26 -1.12 121.20 119.26 2oi6 s ILE 438 Ca 0.21 -0.02 0.06 0.00 -1.41 0.00 0.00 60.65 59.49 2oi6 s ILE 438 Cb -0.12 -1.00 0.23 0.00 0.13 0.00 0.00 42.46 41.70 2oi6 s ILE 438 CO 0.11 -0.01 0.85 -1.54 -1.91 0.00 0.00 174.94 172.44 2oi6 n SER 439 N 0.48 -3.04 -4.24 4.50 3.41 -1.26 -4.98 113.62 108.48 2oi6 n SER 439 Ca -0.18 -3.17 -0.28 0.00 -0.26 0.00 0.00 58.87 54.97 2oi6 n SER 439 Cb 0.60 1.80 -0.16 0.00 -0.26 0.00 0.00 64.21 66.19 2oi6 n SER 439 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2oi6 s ARG 440 N 0.74 1.87 -0.14 4.33 3.52 -1.26 -4.64 118.95 123.36 2oi6 s ARG 440 Ca 0.31 -0.79 -0.20 0.00 -0.13 0.00 0.00 55.73 54.93 2oi6 s ARG 440 Cb 0.16 -1.76 -0.04 0.00 -1.56 0.00 0.00 34.95 31.75 2oi6 s ARG 440 CO -0.19 0.45 0.55 0.08 -0.81 0.00 0.00 175.30 175.38 2oi6 s VAL 441 N -0.44 5.11 0.48 7.11 1.01 -1.26 -5.02 120.40 127.38 2oi6 s VAL 441 Ca 0.06 1.08 -0.23 0.00 0.00 0.00 0.00 61.98 62.89 2oi6 s VAL 441 Cb -0.09 -3.88 -0.08 0.00 0.00 0.00 0.00 36.38 32.32 2oi6 s VAL 441 CO -0.00 0.24 1.22 -2.65 0.00 0.00 0.00 175.10 173.91 2oi6 n PRO 442 N 4.22 1.67 -2.37 2.72 -0.02 -1.26 -4.90 135.00 135.05 2oi6 n PRO 442 Ca -0.04 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.62 2oi6 n PRO 442 Cb 0.51 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 2oi6 n PRO 442 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2oi6 s GLN 443 N -2.42 4.44 0.45 -0.52 0.74 -1.26 -5.03 119.66 116.06 2oi6 s GLN 443 Ca 0.66 1.85 0.03 0.00 0.05 0.00 0.00 55.36 57.94 2oi6 s GLN 443 Cb -0.48 -3.30 -0.02 0.00 1.10 0.00 0.00 33.01 30.32 2oi6 s GLN 443 CO 0.54 -0.22 0.09 0.95 -0.55 0.00 0.00 175.29 176.10 2oi6 s THR 444 N 0.70 0.76 -0.09 -0.34 -4.23 -1.26 -5.17 115.64 106.00 2oi6 s THR 444 Ca 0.58 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.96 2oi6 s THR 444 Cb -0.32 -2.25 0.03 0.00 1.34 0.00 0.00 72.50 71.31 2oi6 s THR 444 CO 0.32 0.00 0.33 -1.58 -0.54 0.00 0.00 174.62 173.14 2oi6 s GLN 445 N -3.76 0.47 -0.17 3.99 0.74 -1.26 -5.14 119.66 114.54 2oi6 s GLN 445 Ca 0.16 0.28 0.01 0.00 0.05 0.00 0.00 55.36 55.86 2oi6 s GLN 445 Cb 0.02 0.22 0.01 0.00 1.10 0.00 0.00 33.01 34.36 2oi6 s GLN 445 CO 0.10 -0.09 -0.20 0.21 -0.55 0.00 0.00 175.29 174.77 2oi6 s LYS 446 N -0.26 3.04 0.50 1.67 2.47 -1.26 -5.11 119.74 120.79 2oi6 s LYS 446 Ca -0.04 -0.82 -0.21 0.00 -1.56 0.00 0.00 55.97 53.34 2oi6 s LYS 446 Cb -0.03 -2.55 -0.07 0.00 -1.46 0.00 0.00 37.83 33.72 2oi6 s LYS 446 CO 0.02 -0.12 1.10 -1.21 0.16 0.00 0.00 175.35 175.29 2oi6 s GLU 447 N 1.09 3.62 -1.41 4.03 8.01 -1.26 -4.13 118.70 128.66 2oi6 s GLU 447 Ca -0.00 1.54 -0.05 0.00 0.01 0.00 0.00 54.97 56.47 2oi6 s GLU 447 Cb -0.14 -2.13 0.03 0.00 -4.31 0.00 0.00 34.13 27.58 2oi6 s GLU 447 CO -0.08 -0.61 0.75 0.41 0.01 0.00 0.00 175.26 175.74 2oi6 n GLY 448 N 0.07 -0.35 3.70 -1.39 0.00 -1.26 -4.93 105.19 101.03 2oi6 n GLY 448 Ca 0.10 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2oi6 n GLY 448 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2oi6 s TRP 449 N -3.59 3.48 -0.23 1.61 -0.00 -1.26 -5.03 118.94 113.92 2oi6 s TRP 449 Ca 0.23 1.51 -0.06 0.00 -0.00 0.00 0.00 56.10 57.79 2oi6 s TRP 449 Cb -0.12 -3.24 -0.02 0.00 -0.00 0.00 0.00 33.47 30.09 2oi6 s TRP 449 CO 0.83 -0.50 0.02 -0.98 -0.00 0.00 0.00 176.95 176.32 2oi6 s ARG 450 N 1.71 3.53 0.62 5.86 1.70 -1.26 -5.09 118.95 126.02 2oi6 s ARG 450 Ca 0.52 -0.55 -0.16 0.00 -0.47 0.00 0.00 55.73 55.07 2oi6 s ARG 450 Cb -0.21 -3.17 -0.02 0.00 -0.57 0.00 0.00 34.95 30.98 2oi6 s ARG 450 CO 0.22 -0.18 1.11 1.03 -1.08 0.00 0.00 175.30 176.40 2oi6 s ARG 451 N 1.52 2.99 0.54 3.89 0.52 -1.26 -4.96 118.95 122.19 2oi6 s ARG 451 Ca 0.06 1.42 -0.19 0.00 -0.52 0.00 0.00 55.73 56.50 2oi6 s ARG 451 Cb -0.15 -1.97 -0.09 0.00 0.52 0.00 0.00 34.95 33.26 2oi6 s ARG 451 CO 0.00 -1.10 0.67 -2.30 0.02 0.00 0.00 175.30 172.60 2oi6 n PRO 452 N -2.10 0.70 0.00 3.54 -0.02 -1.26 -5.34 135.00 130.51 2oi6 n PRO 452 Ca 0.10 0.26 0.14 0.00 -2.02 0.00 0.00 63.50 61.99 2oi6 n PRO 452 Cb 0.52 -1.81 0.50 0.00 -0.02 0.00 0.00 33.50 32.69 2oi6 n PRO 452 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81