#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oi7 s ASN 4 N 0.00 2.75 0.40 6.41 6.03 -1.26 -5.17 114.94 124.11 2oi7 s ASN 4 Ca 0.00 -1.59 0.01 0.00 -1.03 0.00 0.00 52.86 50.25 2oi7 s ASN 4 Cb 0.00 0.34 0.04 0.00 -3.03 0.00 0.00 41.25 38.60 2oi7 s ASN 4 CO 0.00 -0.83 0.26 0.00 -2.03 0.00 0.00 177.10 174.49 2oi7 n ALA 5 N -0.87 0.12 -3.23 3.54 0.00 -1.26 -4.93 120.51 113.87 2oi7 n ALA 5 Ca -0.06 -0.54 -0.13 0.00 0.00 0.00 0.00 53.44 52.71 2oi7 n ALA 5 Cb 0.66 0.10 -0.06 0.00 0.00 0.00 0.00 19.45 20.15 2oi7 n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oi7 s MET 6 N -3.02 0.97 0.09 0.00 0.23 -1.26 -1.37 119.30 114.93 2oi7 s MET 6 Ca 0.18 -0.30 0.08 0.00 -1.03 0.00 0.00 55.69 54.62 2oi7 s MET 6 Cb -0.01 0.44 -0.03 0.00 -1.53 0.00 0.00 34.83 33.69 2oi7 s MET 6 CO 0.12 -0.34 -0.21 -1.12 -2.03 0.00 0.00 175.02 171.44 2oi7 s SER 7 N -1.97 2.48 -0.02 -1.18 0.01 -0.22 -0.51 113.70 112.30 2oi7 s SER 7 Ca -0.05 -0.65 -0.00 0.00 1.31 0.00 0.00 55.95 56.56 2oi7 s SER 7 Cb -0.01 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.04 2oi7 s SER 7 CO -0.02 0.07 0.04 -0.69 0.41 0.00 0.00 173.24 173.06 2oi7 s VAL 8 N -1.09 4.48 -0.09 3.43 1.01 -0.59 -1.12 120.40 126.44 2oi7 s VAL 8 Ca 0.06 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2oi7 s VAL 8 Cb -0.10 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.30 2oi7 s VAL 8 CO 0.04 0.41 -0.09 0.54 0.00 0.00 0.00 175.10 176.00 2oi7 s VAL 9 N -1.10 1.01 -0.25 2.92 0.11 0.60 0.64 120.40 124.33 2oi7 s VAL 9 Ca 0.20 -0.33 -0.05 0.00 -2.93 0.00 0.00 61.98 58.87 2oi7 s VAL 9 Cb -0.12 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.73 2oi7 s VAL 9 CO 0.10 0.35 0.01 -0.63 -3.33 0.00 0.00 175.10 171.60 2oi7 s ILE 10 N 1.33 3.60 -0.25 7.04 1.01 0.12 -0.58 121.20 133.48 2oi7 s ILE 10 Ca -0.02 -0.60 -0.23 0.00 0.00 0.00 0.00 60.65 59.80 2oi7 s ILE 10 Cb -0.14 -2.75 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 2oi7 s ILE 10 CO -0.04 0.27 0.77 -0.76 0.00 0.00 0.00 174.94 175.18 2oi7 s LEU 11 N 1.48 4.08 0.00 2.97 1.43 -0.46 -1.34 118.68 126.83 2oi7 s LEU 11 Ca 0.04 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 2oi7 s LEU 11 Cb -0.16 -3.08 0.00 0.00 0.03 0.00 0.00 46.19 42.99 2oi7 s LEU 11 CO -0.01 -0.49 0.81 0.00 0.23 0.00 0.00 176.35 176.89 2oi7 n ALA 12 N 5.95 1.84 0.23 4.21 0.00 0.12 -1.50 120.51 131.37 2oi7 n ALA 12 Ca 0.04 -0.71 0.12 0.00 0.00 0.00 0.00 53.44 52.89 2oi7 n ALA 12 Cb 0.48 -0.32 0.14 0.00 0.00 0.00 0.00 19.45 19.75 2oi7 n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oi7 h ALA 13 N 0.00 0.84 -2.69 0.00 0.00 -1.65 -3.40 119.26 112.35 2oi7 h ALA 13 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 2oi7 h ALA 13 Cb 1.26 0.00 0.13 0.00 0.00 0.00 0.00 17.79 19.18 2oi7 h ALA 13 CO 0.00 0.00 0.42 0.20 0.00 0.00 0.00 179.25 179.87 2oi7 s GLY 14 N -4.18 2.45 -0.15 0.00 0.00 -1.26 -1.29 107.32 102.89 2oi7 s GLY 14 Ca 0.05 0.86 -0.08 0.00 0.00 0.00 0.00 44.72 45.55 2oi7 s GLY 14 CO 0.70 1.24 0.12 0.54 0.00 0.00 0.00 173.10 175.70 2oi7 s LYS 15 N -3.73 3.68 -1.31 2.90 3.01 -1.26 -4.56 119.74 118.47 2oi7 s LYS 15 Ca 0.74 -0.20 -0.12 0.00 -1.01 0.00 0.00 55.97 55.38 2oi7 s LYS 15 Cb -0.28 -3.23 0.13 0.00 -1.01 0.00 0.00 37.83 33.44 2oi7 s LYS 15 CO 0.40 0.59 1.84 0.41 0.51 0.00 0.00 175.35 179.10 2oi7 n GLY 16 N 2.58 4.17 0.37 -3.33 0.00 -1.26 -4.76 105.19 102.96 2oi7 n GLY 16 Ca -0.18 -1.91 0.17 0.00 0.00 0.00 0.00 46.02 44.10 2oi7 n GLY 16 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2oi7 h THR 17 N 4.18 0.61 0.00 2.61 2.02 -1.94 0.85 112.91 121.24 2oi7 h THR 17 Ca 0.42 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.40 2oi7 h THR 17 Cb 0.71 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 2oi7 h THR 17 CO 1.58 0.11 0.00 0.54 0.37 0.00 0.00 175.52 178.12 2oi7 n ARG 18 N -4.74 0.06 0.00 6.66 1.74 -1.26 -1.79 116.66 117.33 2oi7 n ARG 18 Ca 0.25 0.16 0.13 0.00 -0.77 0.00 0.00 57.85 57.62 2oi7 n ARG 18 Cb 0.71 -1.50 0.34 0.00 -1.02 0.00 0.00 32.46 30.99 2oi7 n ARG 18 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2oi7 n MET 19 N -1.45 0.07 -4.11 5.56 2.81 0.29 -4.53 117.12 115.76 2oi7 n MET 19 Ca 0.05 -0.04 -0.42 0.00 -1.81 0.00 0.00 57.70 55.49 2oi7 n MET 19 Cb 0.20 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.21 2oi7 n MET 19 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2oi7 n TYR 20 N -1.43 -1.39 -4.27 2.03 4.02 -0.74 -4.79 117.16 110.59 2oi7 n TYR 20 Ca 0.06 0.24 -0.15 0.00 -0.01 0.00 0.00 57.90 58.04 2oi7 n TYR 20 Cb 0.33 -2.86 -0.10 0.00 -0.02 0.00 0.00 39.34 36.70 2oi7 n TYR 20 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2oi7 s SER 21 N -3.77 1.92 0.00 7.72 0.15 -1.26 -5.01 113.70 113.45 2oi7 s SER 21 Ca 0.36 -1.02 0.22 0.00 0.70 0.00 0.00 55.95 56.21 2oi7 s SER 21 Cb -0.19 -0.03 0.60 0.00 -1.71 0.00 0.00 66.02 64.69 2oi7 s SER 21 CO 0.97 -0.31 1.51 0.47 1.20 0.00 0.00 173.24 177.07 2oi7 n ASP 22 N -0.24 3.84 -4.31 5.45 8.00 -1.26 -4.88 116.55 123.16 2oi7 n ASP 22 Ca -0.10 -2.00 -0.32 0.00 0.71 0.00 0.00 54.79 53.08 2oi7 n ASP 22 Cb 0.61 -0.45 -0.15 0.00 -0.02 0.00 0.00 41.12 41.11 2oi7 n ASP 22 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2oi7 s LEU 23 N -1.06 2.39 0.23 0.64 2.96 -1.26 -5.08 118.68 117.50 2oi7 s LEU 23 Ca 0.46 -0.42 -0.30 0.00 -0.22 0.00 0.00 54.13 53.65 2oi7 s LEU 23 Cb 0.24 -1.49 -0.15 0.00 0.50 0.00 0.00 46.19 45.29 2oi7 s LEU 23 CO 0.32 0.20 0.99 -2.65 -1.32 0.00 0.00 176.35 173.89 2oi7 n PRO 24 N 3.25 1.06 -0.08 0.98 -0.02 -1.26 -4.84 135.00 134.09 2oi7 n PRO 24 Ca -0.18 0.37 -0.09 0.00 -2.02 0.00 0.00 63.50 61.58 2oi7 n PRO 24 Cb 0.53 -1.73 -0.03 0.00 -0.02 0.00 0.00 33.50 32.24 2oi7 n PRO 24 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2oi7 h LYS 25 N 2.33 -0.32 0.00 -0.52 3.64 -1.90 -1.39 116.57 118.41 2oi7 h LYS 25 Ca -0.39 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2oi7 h LYS 25 Cb 1.36 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 2oi7 h LYS 25 CO 0.63 -0.21 0.16 -0.39 -2.27 0.00 0.00 179.45 177.37 2oi7 h VAL 26 N -0.33 0.00 0.00 2.00 -1.51 -1.88 0.12 116.25 114.65 2oi7 h VAL 26 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.61 2oi7 h VAL 26 Cb 0.57 0.50 0.00 0.00 -2.13 0.00 0.00 31.29 30.22 2oi7 h VAL 26 CO -0.50 0.00 -0.27 0.18 -1.23 0.00 0.00 177.57 175.75 2oi7 n LEU 27 N -2.37 0.44 -4.77 4.19 4.77 -0.52 -1.08 117.00 117.66 2oi7 n LEU 27 Ca -0.01 0.32 -0.41 0.00 -0.03 0.00 0.00 56.01 55.87 2oi7 n LEU 27 Cb 0.20 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 40.94 2oi7 n LEU 27 CO 0.10 -0.01 1.05 -1.00 -1.33 0.00 0.00 177.39 176.20 2oi7 s HIS 28 N -3.05 2.93 0.29 -1.77 3.76 0.42 -4.65 115.29 113.22 2oi7 s HIS 28 Ca 0.11 1.25 -0.17 0.00 -0.15 0.00 0.00 55.06 56.10 2oi7 s HIS 28 Cb 0.16 -3.80 -0.09 0.00 1.11 0.00 0.00 32.58 29.96 2oi7 s HIS 28 CO 0.63 -2.35 0.75 0.95 -0.85 0.00 0.00 174.74 173.87 2oi7 s THR 29 N -0.84 4.61 -0.13 1.30 -4.23 -1.26 -1.56 115.64 113.52 2oi7 s THR 29 Ca 0.53 1.12 -0.01 0.00 -1.18 0.00 0.00 61.69 62.14 2oi7 s THR 29 Cb -0.42 -3.71 0.04 0.00 1.34 0.00 0.00 72.50 69.75 2oi7 s THR 29 CO 0.53 -0.04 -0.01 -0.22 -0.54 0.00 0.00 174.62 174.34 2oi7 s LEU 30 N -2.61 1.07 -1.74 4.79 0.20 0.36 -4.69 118.68 116.07 2oi7 s LEU 30 Ca 0.50 -0.46 -0.00 0.00 0.69 0.00 0.00 54.13 54.86 2oi7 s LEU 30 Cb -0.13 -0.64 0.00 0.00 -0.43 0.00 0.00 46.19 44.99 2oi7 s LEU 30 CO 0.19 -0.21 0.04 0.00 -0.29 0.00 0.00 176.35 176.08 2oi7 n ALA 31 N 5.03 -0.66 0.00 5.97 0.00 -1.26 -2.07 120.51 127.52 2oi7 n ALA 31 Ca -0.09 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2oi7 n ALA 31 Cb 0.49 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.64 2oi7 n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oi7 n GLY 32 N -1.04 2.11 3.41 0.00 0.00 -1.26 -3.99 105.19 104.42 2oi7 n GLY 32 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 2oi7 n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2oi7 s LYS 33 N -0.66 3.18 0.22 1.61 2.20 -0.88 -4.96 119.74 120.46 2oi7 s LYS 33 Ca 0.00 -0.67 -0.31 0.00 -0.36 0.00 0.00 55.97 54.62 2oi7 s LYS 33 Cb 0.00 -2.59 -0.14 0.00 -1.51 0.00 0.00 37.83 33.59 2oi7 s LYS 33 CO 0.00 0.32 1.29 0.00 -0.36 0.00 0.00 175.35 176.60 2oi7 n ALA 34 N 3.20 0.33 -0.16 3.13 0.00 -1.26 -0.49 120.51 125.26 2oi7 n ALA 34 Ca -0.18 0.43 -0.02 0.00 0.00 0.00 0.00 53.44 53.67 2oi7 n ALA 34 Cb 0.53 -2.16 0.06 0.00 0.00 0.00 0.00 19.45 17.87 2oi7 n ALA 34 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2oi7 h MET 35 N 3.70 0.11 -0.51 0.00 0.00 -1.12 0.16 114.93 117.26 2oi7 h MET 35 Ca -0.44 -0.01 0.05 0.00 0.00 0.00 0.00 59.70 59.30 2oi7 h MET 35 Cb 1.31 -0.03 -0.03 0.00 0.00 0.00 0.00 31.60 32.85 2oi7 h MET 35 CO 0.72 0.08 0.34 -0.24 0.00 0.00 0.00 176.91 177.81 2oi7 h VAL 36 N 0.12 1.01 -0.26 -2.22 3.04 -1.15 -0.11 116.25 116.69 2oi7 h VAL 36 Ca 0.26 -0.18 -0.13 0.00 -1.01 0.00 0.00 66.70 65.65 2oi7 h VAL 36 Cb 0.39 0.45 -0.01 0.00 -2.01 0.00 0.00 31.29 30.11 2oi7 h VAL 36 CO -0.43 0.09 -0.36 -0.61 -1.01 0.00 0.00 177.57 175.26 2oi7 h GLN 37 N 0.52 0.58 -0.26 4.17 5.75 -1.00 -1.02 115.11 123.85 2oi7 h GLN 37 Ca 0.21 -0.28 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 2oi7 h GLN 37 Cb 0.20 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 2oi7 h GLN 37 CO -0.06 0.86 0.11 0.45 -2.65 0.00 0.00 178.83 177.54 2oi7 h HIS 38 N 0.49 0.38 -0.41 3.99 3.86 0.26 0.04 115.15 123.76 2oi7 h HIS 38 Ca 0.05 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2oi7 h HIS 38 Cb 0.85 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.19 2oi7 h HIS 38 CO 0.03 0.38 0.22 0.28 0.86 0.00 0.00 177.93 179.70 2oi7 h VAL 39 N 0.27 1.16 -0.81 2.45 2.07 -1.18 -2.62 116.25 117.59 2oi7 h VAL 39 Ca 0.09 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 2oi7 h VAL 39 Cb 0.16 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 2oi7 h VAL 39 CO -0.01 0.17 0.42 0.40 0.02 0.00 0.00 177.57 178.57 2oi7 h ILE 40 N 0.53 1.24 -0.07 4.57 2.04 -0.98 -0.56 117.51 124.27 2oi7 h ILE 40 Ca 0.14 -0.64 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 2oi7 h ILE 40 Cb 0.08 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 2oi7 h ILE 40 CO -0.02 0.28 -0.16 0.44 0.00 0.00 0.00 178.15 178.68 2oi7 h ASP 41 N 1.14 0.11 0.65 1.72 3.32 -0.71 -1.64 116.42 121.02 2oi7 h ASP 41 Ca 0.28 -0.02 -0.27 0.00 0.02 0.00 0.00 57.03 57.04 2oi7 h ASP 41 Cb 0.06 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2oi7 h ASP 41 CO -0.04 0.29 -1.29 0.00 -1.72 0.00 0.00 179.24 176.48 2oi7 h ALA 42 N 1.73 0.21 -0.05 3.45 0.00 -0.93 -3.33 119.26 120.35 2oi7 h ALA 42 Ca 0.02 -0.97 -0.11 0.00 0.00 0.00 0.00 54.91 53.85 2oi7 h ALA 42 Cb 0.36 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2oi7 h ALA 42 CO 0.02 1.09 -0.47 0.00 0.00 0.00 0.00 179.25 179.89 2oi7 h ALA 43 N 0.66 1.12 -0.02 0.00 0.00 -0.80 -2.85 119.26 117.36 2oi7 h ALA 43 Ca -0.14 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2oi7 h ALA 43 Cb 1.95 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.65 2oi7 h ALA 43 CO 0.17 0.62 0.00 0.09 0.00 0.00 0.00 179.25 180.13 2oi7 n ASN 44 N -3.97 0.15 -0.17 0.00 3.02 -0.65 -3.03 115.26 110.62 2oi7 n ASN 44 Ca -0.02 -2.00 0.09 0.00 -0.03 0.00 0.00 54.58 52.62 2oi7 n ASN 44 Cb 0.51 -0.02 0.14 0.00 -0.61 0.00 0.00 39.78 39.79 2oi7 n ASN 44 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2oi7 n GLU 45 N -0.42 1.21 -0.00 3.52 -0.58 -1.08 -4.66 120.64 118.63 2oi7 n GLU 45 Ca 0.01 -2.53 0.04 0.00 -0.42 0.00 0.00 57.16 54.25 2oi7 n GLU 45 Cb 0.02 -1.43 0.03 0.00 -0.57 0.00 0.00 31.44 29.50 2oi7 n GLU 45 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2oi7 n LEU 46 N -1.29 1.65 -3.21 -4.62 4.77 -1.17 -5.03 117.00 108.11 2oi7 n LEU 46 Ca 0.15 -1.04 -0.07 0.00 -0.03 0.00 0.00 56.01 55.02 2oi7 n LEU 46 Cb 0.65 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.75 2oi7 n LEU 46 CO 0.00 0.34 0.20 0.61 -1.33 0.00 0.00 177.39 177.22 2oi7 n GLY 47 N 0.40 -1.22 3.60 -0.72 0.00 -1.26 -5.01 105.19 100.97 2oi7 n GLY 47 Ca 0.04 0.51 -0.28 0.00 0.00 0.00 0.00 46.02 46.29 2oi7 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi7 s ALA 48 N -3.10 3.01 0.03 4.61 0.00 -1.26 -4.71 121.76 120.34 2oi7 s ALA 48 Ca 0.12 -1.37 -0.15 0.00 0.00 0.00 0.00 51.96 50.55 2oi7 s ALA 48 Cb -0.02 -0.85 -0.08 0.00 0.00 0.00 0.00 23.12 22.17 2oi7 s ALA 48 CO 0.77 0.53 1.24 0.00 0.00 0.00 0.00 175.76 178.30 2oi7 h ALA 49 N 3.09 -1.00 -3.19 0.00 0.00 -1.19 -3.45 119.26 113.53 2oi7 h ALA 49 Ca -0.48 -0.10 -0.32 0.00 0.00 0.00 0.00 54.91 54.02 2oi7 h ALA 49 Cb 1.19 0.38 -0.21 0.00 0.00 0.00 0.00 17.79 19.15 2oi7 h ALA 49 CO 0.54 -0.99 -0.75 -1.01 0.00 0.00 0.00 179.25 177.04 2oi7 s HIS 50 N -4.21 0.89 -0.33 0.00 3.76 -1.26 -5.06 115.29 109.07 2oi7 s HIS 50 Ca -0.08 -0.51 -0.01 0.00 -0.15 0.00 0.00 55.06 54.31 2oi7 s HIS 50 Cb 0.01 -0.51 0.07 0.00 1.11 0.00 0.00 32.58 33.27 2oi7 s HIS 50 CO 0.25 -0.03 0.04 0.08 -0.85 0.00 0.00 174.74 174.23 2oi7 s VAL 51 N -1.49 2.86 0.19 -0.90 1.01 -1.23 -1.53 120.40 119.30 2oi7 s VAL 51 Ca -0.06 -1.72 -0.22 0.00 0.00 0.00 0.00 61.98 59.98 2oi7 s VAL 51 Cb -0.09 -2.79 -0.08 0.00 0.00 0.00 0.00 36.38 33.42 2oi7 s VAL 51 CO 0.01 -0.31 0.75 -1.00 0.00 0.00 0.00 175.10 174.54 2oi7 s HIS 52 N 1.16 3.77 -0.38 5.22 3.76 0.21 -1.18 115.29 127.85 2oi7 s HIS 52 Ca -0.00 1.50 0.01 0.00 -0.15 0.00 0.00 55.06 56.43 2oi7 s HIS 52 Cb -0.20 -2.69 0.12 0.00 1.11 0.00 0.00 32.58 30.92 2oi7 s HIS 52 CO -0.03 0.42 0.17 -1.17 -0.85 0.00 0.00 174.74 173.28 2oi7 s LEU 53 N -1.57 2.70 -0.19 0.89 2.96 -0.04 0.12 118.68 123.56 2oi7 s LEU 53 Ca 0.39 -2.21 -0.29 0.00 -0.22 0.00 0.00 54.13 51.80 2oi7 s LEU 53 Cb -0.20 -1.02 -0.03 0.00 0.50 0.00 0.00 46.19 45.45 2oi7 s LEU 53 CO 0.23 -0.33 1.52 -0.69 -1.32 0.00 0.00 176.35 175.76 2oi7 s VAL 54 N 0.89 3.83 0.25 1.68 1.01 -0.45 -2.11 120.40 125.50 2oi7 s VAL 54 Ca 0.14 0.97 0.09 0.00 0.00 0.00 0.00 61.98 63.18 2oi7 s VAL 54 Cb -0.21 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 2oi7 s VAL 54 CO -0.10 -0.24 -0.15 -0.72 0.00 0.00 0.00 175.10 173.88 2oi7 s TYR 55 N 4.56 2.00 0.00 5.22 -0.85 -0.53 -0.70 117.35 127.06 2oi7 s TYR 55 Ca 0.67 -0.49 0.00 0.00 -0.52 0.00 0.00 57.07 56.73 2oi7 s TYR 55 Cb -0.25 -0.94 0.00 0.00 0.38 0.00 0.00 41.96 41.15 2oi7 s TYR 55 CO 0.26 0.50 0.00 0.41 -1.52 0.00 0.00 175.55 175.20 2oi7 n GLY 56 N -0.52 -1.04 3.69 5.49 0.00 -1.25 -0.28 105.19 111.28 2oi7 n GLY 56 Ca -0.06 0.55 -0.51 0.00 0.00 0.00 0.00 46.02 46.00 2oi7 n GLY 56 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2oi7 n HIS 57 N 0.00 2.25 -1.85 1.61 -0.00 -0.41 -0.81 115.22 116.01 2oi7 n HIS 57 Ca 0.00 0.16 -0.10 0.00 -0.00 0.00 0.00 57.72 57.78 2oi7 n HIS 57 Cb 0.00 -2.60 -0.02 0.00 -0.00 0.00 0.00 29.99 27.37 2oi7 n HIS 57 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2oi7 n GLY 58 N 4.34 0.40 0.38 1.57 0.00 -1.26 -4.76 105.19 105.86 2oi7 n GLY 58 Ca 0.24 -0.53 0.19 0.00 0.00 0.00 0.00 46.02 45.91 2oi7 n GLY 58 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2oi7 h GLY 59 N 0.00 1.38 0.97 -0.02 0.00 -1.36 0.59 103.07 104.64 2oi7 h GLY 59 Ca -0.21 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 46.88 2oi7 h GLY 59 CO 0.27 -0.10 0.64 -0.55 0.00 0.00 0.00 176.54 176.81 2oi7 h ASP 60 N 0.52 1.09 -0.29 0.19 3.32 -1.90 0.68 116.42 120.03 2oi7 h ASP 60 Ca 0.57 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.55 2oi7 h ASP 60 Cb 1.23 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 2oi7 h ASP 60 CO -0.31 0.77 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.89 2oi7 h LEU 61 N 1.28 0.51 -0.82 1.55 3.38 -1.28 -2.09 115.31 117.84 2oi7 h LEU 61 Ca 0.37 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2oi7 h LEU 61 Cb -0.07 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 2oi7 h LEU 61 CO -0.10 0.71 0.45 -0.07 0.09 0.00 0.00 178.44 179.53 2oi7 h LEU 62 N 0.30 1.02 -1.12 1.67 3.38 -0.93 -1.06 115.31 118.57 2oi7 h LEU 62 Ca 0.08 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2oi7 h LEU 62 Cb 0.46 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2oi7 h LEU 62 CO 0.02 0.82 -0.18 0.11 0.09 0.00 0.00 178.44 179.29 2oi7 h LYS 63 N 1.13 0.40 -0.14 1.13 1.57 -0.82 -1.74 116.57 118.11 2oi7 h LYS 63 Ca 0.29 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2oi7 h LYS 63 Cb 0.02 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2oi7 h LYS 63 CO -0.05 0.57 0.00 0.94 -0.57 0.00 0.00 179.45 180.35 2oi7 n GLN 64 N -4.18 1.65 -0.00 3.15 -0.06 -0.75 -3.90 117.38 113.28 2oi7 n GLN 64 Ca -0.00 -0.97 0.02 0.00 -2.00 0.00 0.00 57.00 54.04 2oi7 n GLN 64 Cb 0.34 -1.39 -0.03 0.00 -4.06 0.00 0.00 30.24 25.10 2oi7 n GLN 64 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2oi7 n ALA 65 N 0.20 2.13 -3.85 1.69 0.00 -0.48 -4.89 120.51 115.30 2oi7 n ALA 65 Ca 0.16 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.17 2oi7 n ALA 65 Cb 0.31 -0.11 -0.12 0.00 0.00 0.00 0.00 19.45 19.52 2oi7 n ALA 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2oi7 s LEU 66 N -3.29 4.95 -0.95 0.00 1.43 -0.70 -4.98 118.68 115.14 2oi7 s LEU 66 Ca -0.01 -2.48 -0.04 0.00 -1.03 0.00 0.00 54.13 50.57 2oi7 s LEU 66 Cb 0.02 -1.75 0.15 0.00 0.03 0.00 0.00 46.19 44.64 2oi7 s LEU 66 CO 0.15 -0.40 2.41 2.29 0.23 0.00 0.00 176.35 181.03 2oi7 n LYS 67 N 3.92 3.83 -3.61 1.70 -0.00 -1.26 -4.84 118.16 117.90 2oi7 n LYS 67 Ca 0.03 -3.26 -0.36 0.00 -0.00 0.00 0.00 58.31 54.72 2oi7 n LYS 67 Cb 0.39 -2.41 -0.07 0.00 -0.00 0.00 0.00 35.03 32.93 2oi7 n LYS 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2oi7 s ASP 68 N 0.01 6.35 -0.13 -5.58 1.01 -1.26 -5.01 116.67 112.06 2oi7 s ASP 68 Ca 0.54 0.40 -0.25 0.00 0.71 0.00 0.00 52.55 53.94 2oi7 s ASP 68 Cb 0.27 -2.15 -0.22 0.00 1.01 0.00 0.00 42.92 41.84 2oi7 s ASP 68 CO -0.17 0.12 0.71 -0.78 0.21 0.00 0.00 175.17 175.26 2oi7 h ASP 69 N 6.71 -0.01 0.00 0.27 1.82 -2.03 -3.28 116.42 119.90 2oi7 h ASP 69 Ca -0.41 -0.82 0.00 0.00 -0.39 0.00 0.00 57.03 55.41 2oi7 h ASP 69 Cb 1.16 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.17 2oi7 h ASP 69 CO 0.76 0.89 0.00 -3.20 -1.61 0.00 0.00 179.24 176.07 2oi7 n ASN 70 N -4.66 0.28 -4.68 2.28 5.15 -1.26 -4.67 115.26 107.70 2oi7 n ASN 70 Ca -0.09 -0.68 -0.35 0.00 -0.60 0.00 0.00 54.58 52.87 2oi7 n ASN 70 Cb 0.40 -0.14 -0.09 0.00 -0.53 0.00 0.00 39.78 39.42 2oi7 n ASN 70 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2oi7 s LEU 71 N -0.17 3.86 -0.42 1.20 1.43 -1.24 -3.55 118.68 119.79 2oi7 s LEU 71 Ca 0.00 0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 53.17 2oi7 s LEU 71 Cb 0.00 -1.95 0.08 0.00 0.03 0.00 0.00 46.19 44.35 2oi7 s LEU 71 CO 0.00 0.25 0.25 0.21 0.23 0.00 0.00 176.35 177.29 2oi7 s ASN 72 N -0.07 5.60 -0.15 2.29 3.04 -0.33 -4.99 114.94 120.33 2oi7 s ASN 72 Ca 0.07 -1.53 -0.29 0.00 0.04 0.00 0.00 52.86 51.14 2oi7 s ASN 72 Cb -0.12 -1.97 -0.02 0.00 -1.54 0.00 0.00 41.25 37.60 2oi7 s ASN 72 CO 0.01 -0.53 1.29 0.26 -3.04 0.00 0.00 177.10 175.09 2oi7 s TRP 73 N 1.41 2.81 -0.28 0.43 0.52 -1.26 -0.86 118.94 121.70 2oi7 s TRP 73 Ca 0.03 0.96 0.01 0.00 0.02 0.00 0.00 56.10 57.12 2oi7 s TRP 73 Cb -0.23 -3.53 0.06 0.00 -1.15 0.00 0.00 33.47 28.62 2oi7 s TRP 73 CO 0.02 -1.83 -0.06 0.08 0.02 0.00 0.00 176.95 175.17 2oi7 s VAL 74 N 3.45 2.51 0.32 4.03 1.01 -0.90 -4.93 120.40 125.90 2oi7 s VAL 74 Ca 0.56 -1.56 -0.29 0.00 0.00 0.00 0.00 61.98 60.70 2oi7 s VAL 74 Cb -0.23 -2.48 -0.10 0.00 0.00 0.00 0.00 36.38 33.58 2oi7 s VAL 74 CO 0.16 -0.08 1.20 -0.22 0.00 0.00 0.00 175.10 176.16 2oi7 s LEU 75 N 1.16 4.45 -0.63 3.92 2.96 -1.26 -1.45 118.68 127.83 2oi7 s LEU 75 Ca -0.07 2.47 0.05 0.00 -0.22 0.00 0.00 54.13 56.37 2oi7 s LEU 75 Cb -0.20 -3.69 0.18 0.00 0.50 0.00 0.00 46.19 42.98 2oi7 s LEU 75 CO -0.03 -0.39 0.49 1.67 -1.32 0.00 0.00 176.35 176.76 2oi7 n GLN 76 N 0.86 1.51 -0.37 1.98 7.27 0.62 -4.87 117.38 124.38 2oi7 n GLN 76 Ca 0.00 -4.18 0.29 0.00 0.07 0.00 0.00 57.00 53.17 2oi7 n GLN 76 Cb 0.44 -2.12 0.55 0.00 2.41 0.00 0.00 30.24 31.52 2oi7 n GLN 76 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2oi7 h ALA 77 N 5.27 2.28 -3.26 1.69 0.00 -1.94 -3.37 119.26 119.93 2oi7 h ALA 77 Ca 0.18 0.14 -0.59 0.00 0.00 0.00 0.00 54.91 54.64 2oi7 h ALA 77 Cb 0.78 0.16 -0.37 0.00 0.00 0.00 0.00 17.79 18.36 2oi7 h ALA 77 CO 0.65 -0.87 -0.82 -1.21 0.00 0.00 0.00 179.25 177.00 2oi7 s GLU 78 N -5.50 2.00 -1.17 0.00 2.02 -1.26 -4.93 118.70 109.86 2oi7 s GLU 78 Ca -0.09 -0.62 -0.21 0.00 0.02 0.00 0.00 54.97 54.08 2oi7 s GLU 78 Cb 0.29 -2.14 0.04 0.00 0.10 0.00 0.00 34.13 32.42 2oi7 s GLU 78 CO 0.80 -0.33 1.69 -0.65 0.02 0.00 0.00 175.26 176.78 2oi7 s GLN 79 N 1.50 3.60 -0.22 1.61 1.11 -1.26 -4.74 119.66 121.26 2oi7 s GLN 79 Ca 0.02 -1.52 0.12 0.00 0.01 0.00 0.00 55.36 53.99 2oi7 s GLN 79 Cb -0.14 -5.42 0.73 0.00 -1.01 0.00 0.00 33.01 27.17 2oi7 s GLN 79 CO -0.09 -2.52 1.63 1.28 0.01 0.00 0.00 175.29 175.60 2oi7 n LEU 80 N 9.62 5.31 0.00 2.90 4.77 -1.26 -5.02 117.00 133.32 2oi7 n LEU 80 Ca 0.43 -2.71 0.00 0.00 -0.03 0.00 0.00 56.01 53.70 2oi7 n LEU 80 Cb 0.48 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 2oi7 n LEU 80 CO 0.71 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.99 2oi7 n GLY 81 N 0.47 3.07 0.29 -0.72 0.00 -1.26 -1.07 105.19 105.97 2oi7 n GLY 81 Ca 0.27 -2.00 -0.03 0.00 0.00 0.00 0.00 46.02 44.25 2oi7 n GLY 81 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2oi7 h THR 82 N 0.10 1.22 -0.11 2.61 1.35 -1.92 -1.18 112.91 114.97 2oi7 h THR 82 Ca 0.00 -0.87 -0.01 0.00 -0.55 0.00 0.00 66.41 64.98 2oi7 h THR 82 Cb 0.00 0.79 -0.00 0.00 -1.73 0.00 0.00 68.15 67.20 2oi7 h THR 82 CO 0.00 0.31 0.02 1.23 -0.25 0.00 0.00 175.52 176.84 2oi7 h GLY 83 N 0.94 0.20 1.33 5.82 0.00 0.14 -1.84 103.07 109.67 2oi7 h GLY 83 Ca 0.15 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 2oi7 h GLY 83 CO 0.01 0.12 0.17 0.84 0.00 0.00 0.00 176.54 177.68 2oi7 h HIS 84 N -0.03 0.87 -0.54 5.60 6.17 -1.53 -1.62 115.15 124.07 2oi7 h HIS 84 Ca 0.04 -0.07 -0.00 0.00 0.71 0.00 0.00 60.37 61.04 2oi7 h HIS 84 Cb 0.27 -0.26 -0.03 0.00 2.52 0.00 0.00 27.41 29.91 2oi7 h HIS 84 CO 0.01 0.71 0.32 0.00 0.71 0.00 0.00 177.93 179.68 2oi7 h ALA 85 N 1.36 0.68 -0.21 5.26 0.00 -1.06 -2.43 119.26 122.87 2oi7 h ALA 85 Ca 0.19 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2oi7 h ALA 85 Cb 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2oi7 h ALA 85 CO -0.01 0.16 -0.15 0.52 0.00 0.00 0.00 179.25 179.77 2oi7 h MET 86 N 0.72 0.36 0.00 0.00 2.86 -0.85 -2.36 114.93 115.66 2oi7 h MET 86 Ca 0.19 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2oi7 h MET 86 Cb -0.02 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 2oi7 h MET 86 CO -0.04 0.51 -0.04 1.96 1.06 0.00 0.00 176.91 180.36 2oi7 h GLN 87 N 0.33 0.00 -0.01 1.72 4.20 -0.81 -1.02 115.11 119.53 2oi7 h GLN 87 Ca 0.06 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.61 2oi7 h GLN 87 Cb 0.47 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 2oi7 h GLN 87 CO 0.03 0.04 -0.74 1.96 -0.67 0.00 0.00 178.83 179.45 2oi7 h GLN 88 N 0.00 0.05 0.00 1.46 1.08 -1.25 -3.19 115.11 113.26 2oi7 h GLN 88 Ca -0.00 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 2oi7 h GLN 88 Cb 0.19 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.63 2oi7 h GLN 88 CO 0.01 0.76 -0.98 0.00 -0.95 0.00 0.00 178.83 177.67 2oi7 h ALA 89 N 1.22 0.52 -0.99 3.87 0.00 -1.34 -3.39 119.26 119.15 2oi7 h ALA 89 Ca -0.01 -0.03 0.27 0.00 0.00 0.00 0.00 54.91 55.14 2oi7 h ALA 89 Cb 1.30 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.92 2oi7 h ALA 89 CO 0.10 0.03 0.03 0.00 0.00 0.00 0.00 179.25 179.42 2oi7 n ALA 90 N -2.19 0.52 -0.24 0.00 0.00 -0.49 -0.64 120.51 117.47 2oi7 n ALA 90 Ca -0.00 1.06 0.31 0.00 0.00 0.00 0.00 53.44 54.81 2oi7 n ALA 90 Cb 0.56 -0.78 0.73 0.00 0.00 0.00 0.00 19.45 19.96 2oi7 n ALA 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2oi7 h PRO 91 N 0.00 0.01 -0.55 0.00 0.11 -1.78 0.16 132.00 129.95 2oi7 h PRO 91 Ca 0.60 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 2oi7 h PRO 91 Cb 1.26 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2oi7 h PRO 91 CO -0.93 0.01 0.00 1.19 -0.21 0.00 0.00 178.00 178.06 2oi7 n PHE 92 N -4.24 0.79 -2.92 0.65 3.01 0.19 -4.87 117.46 110.08 2oi7 n PHE 92 Ca 0.21 -0.38 -0.43 0.00 1.01 0.00 0.00 57.45 57.87 2oi7 n PHE 92 Cb 1.07 -0.04 -0.05 0.00 -0.01 0.00 0.00 39.48 40.45 2oi7 n PHE 92 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2oi7 s PHE 93 N -1.37 3.00 0.59 1.38 2.99 0.57 -5.03 117.98 120.10 2oi7 s PHE 93 Ca 0.36 0.32 -0.18 0.00 0.00 0.00 0.00 56.93 57.43 2oi7 s PHE 93 Cb 0.20 -3.70 -0.04 0.00 0.00 0.00 0.00 43.02 39.48 2oi7 s PHE 93 CO 0.23 -0.97 1.14 0.00 -0.00 0.00 0.00 175.22 175.62 2oi7 s ALA 94 N 3.39 2.60 -0.48 5.36 0.00 -1.26 -4.84 121.76 126.53 2oi7 s ALA 94 Ca 0.32 0.79 0.24 0.00 0.00 0.00 0.00 51.96 53.31 2oi7 s ALA 94 Cb -0.12 -3.37 0.50 0.00 0.00 0.00 0.00 23.12 20.14 2oi7 s ALA 94 CO 0.23 -0.99 1.67 -0.44 0.00 0.00 0.00 175.76 176.22 2oi7 h ASP 95 N 0.82 0.00 -0.27 0.00 3.32 -1.96 -3.30 116.42 115.03 2oi7 h ASP 95 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2oi7 h ASP 95 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2oi7 h ASP 95 CO 0.56 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.18 2oi7 n ASP 96 N -2.90 2.95 -4.44 6.45 3.85 -1.26 -3.74 116.55 117.45 2oi7 n ASP 96 Ca 0.04 -1.86 -0.29 0.00 -0.71 0.00 0.00 54.79 51.97 2oi7 n ASP 96 Cb 0.49 -0.17 -0.12 0.00 -1.35 0.00 0.00 41.12 39.97 2oi7 n ASP 96 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.20 174.36 2oi7 s GLU 97 N -1.27 1.58 0.34 0.11 -1.05 -1.24 -4.38 118.70 112.79 2oi7 s GLU 97 Ca 0.28 -1.33 -0.25 0.00 -0.15 0.00 0.00 54.97 53.52 2oi7 s GLU 97 Cb 0.17 -1.97 -0.10 0.00 -0.44 0.00 0.00 34.13 31.79 2oi7 s GLU 97 CO 0.24 0.45 0.97 -0.51 0.95 0.00 0.00 175.26 177.36 2oi7 s ASP 98 N -2.25 7.19 -0.30 0.83 1.01 -0.47 -0.73 116.67 121.95 2oi7 s ASP 98 Ca 0.17 1.88 -0.05 0.00 0.71 0.00 0.00 52.55 55.27 2oi7 s ASP 98 Cb -0.10 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.28 2oi7 s ASP 98 CO 0.09 -0.17 0.04 -0.63 0.21 0.00 0.00 175.17 174.70 2oi7 s ILE 99 N -1.65 3.50 -0.25 0.77 -1.09 0.37 -1.06 121.20 121.78 2oi7 s ILE 99 Ca 0.52 -0.99 -0.15 0.00 -2.23 0.00 0.00 60.65 57.80 2oi7 s ILE 99 Cb -0.19 -2.87 -0.04 0.00 -1.58 0.00 0.00 42.46 37.78 2oi7 s ILE 99 CO 0.24 0.01 0.38 -0.22 -1.23 0.00 0.00 174.94 174.13 2oi7 s LEU 100 N 1.39 4.07 -0.24 2.97 2.96 -0.27 -1.94 118.68 127.62 2oi7 s LEU 100 Ca -0.00 0.35 -0.09 0.00 -0.22 0.00 0.00 54.13 54.17 2oi7 s LEU 100 Cb -0.18 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.02 2oi7 s LEU 100 CO 0.00 -0.16 0.11 -0.32 -1.32 0.00 0.00 176.35 174.67 2oi7 s MET 101 N 1.87 3.85 0.08 1.98 -2.45 -0.13 -0.29 119.30 124.20 2oi7 s MET 101 Ca 0.16 -0.38 0.10 0.00 -1.25 0.00 0.00 55.69 54.31 2oi7 s MET 101 Cb -0.15 -3.42 -0.03 0.00 1.25 0.00 0.00 34.83 32.47 2oi7 s MET 101 CO 0.09 -0.06 -0.25 -0.51 1.05 0.00 0.00 175.02 175.34 2oi7 s LEU 102 N 1.34 2.32 -0.10 4.11 1.43 0.26 -2.96 118.68 125.07 2oi7 s LEU 102 Ca 0.06 -0.62 -0.06 0.00 -1.03 0.00 0.00 54.13 52.48 2oi7 s LEU 102 Cb -0.15 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 2oi7 s LEU 102 CO 0.05 0.23 0.14 -0.31 0.23 0.00 0.00 176.35 176.69 2oi7 s TYR 103 N -0.93 3.58 -1.54 0.29 4.12 -1.26 -1.36 117.35 120.25 2oi7 s TYR 103 Ca 0.13 0.49 0.25 0.00 0.02 0.00 0.00 57.07 57.97 2oi7 s TYR 103 Cb -0.10 -1.92 1.31 0.00 -1.52 0.00 0.00 41.96 39.73 2oi7 s TYR 103 CO 0.04 0.72 1.84 0.41 0.02 0.00 0.00 175.55 178.58 2oi7 n GLY 104 N 1.80 -1.05 0.79 0.71 0.00 -0.56 -2.89 105.19 104.00 2oi7 n GLY 104 Ca -0.18 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.78 2oi7 n GLY 104 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2oi7 n ASP 105 N -1.23 3.41 -3.43 1.61 5.75 -1.26 -3.54 116.55 117.86 2oi7 n ASP 105 Ca 0.13 -2.43 -0.27 0.00 -0.01 0.00 0.00 54.79 52.21 2oi7 n ASP 105 Cb 0.18 -0.37 -0.08 0.00 -1.03 0.00 0.00 41.12 39.81 2oi7 n ASP 105 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2oi7 n VAL 106 N 0.13 2.05 0.39 2.12 0.31 -1.14 -1.23 118.33 120.96 2oi7 n VAL 106 Ca 0.16 -5.09 -0.19 0.00 -0.01 0.00 0.00 64.34 59.21 2oi7 n VAL 106 Cb 0.64 -2.09 -0.09 0.00 -0.91 0.00 0.00 33.84 31.38 2oi7 n VAL 106 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2oi7 h PRO 107 N 4.24 -1.03 0.00 5.55 0.13 -1.81 -3.32 132.00 135.76 2oi7 h PRO 107 Ca 0.19 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 2oi7 h PRO 107 Cb 0.69 0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2oi7 h PRO 107 CO 0.80 -0.68 0.00 1.28 -0.23 0.00 0.00 178.00 179.16 2oi7 n LEU 108 N -5.57 0.00 -4.69 1.56 4.77 -1.26 -4.12 117.00 107.69 2oi7 n LEU 108 Ca -0.14 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.40 2oi7 n LEU 108 Cb 0.45 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.50 2oi7 n LEU 108 CO 0.36 0.00 1.33 0.00 -1.33 0.00 0.00 177.39 177.75 2oi7 n ILE 109 N -0.50 0.12 -3.35 -0.08 0.13 -0.50 -4.35 119.36 110.82 2oi7 n ILE 109 Ca 0.00 -0.02 -0.29 0.00 -1.10 0.00 0.00 62.75 61.34 2oi7 n ILE 109 Cb 0.00 -1.82 -0.03 0.00 -0.84 0.00 0.00 39.64 36.94 2oi7 n ILE 109 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 2oi7 s SER 110 N 1.60 6.45 0.15 9.51 1.04 -1.26 -4.90 113.70 126.30 2oi7 s SER 110 Ca 0.79 0.71 -0.16 0.00 0.48 0.00 0.00 55.95 57.77 2oi7 s SER 110 Cb -0.59 -2.14 0.06 0.00 0.10 0.00 0.00 66.02 63.46 2oi7 s SER 110 CO 0.37 -0.18 1.74 0.58 0.98 0.00 0.00 173.24 176.73 2oi7 h VAL 111 N 1.40 0.87 -0.09 5.02 2.07 -1.93 -2.83 116.25 120.75 2oi7 h VAL 111 Ca -0.48 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 66.98 2oi7 h VAL 111 Cb 1.19 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 2oi7 h VAL 111 CO 0.66 0.04 -0.17 -0.33 0.02 0.00 0.00 177.57 177.80 2oi7 h GLU 112 N 0.24 -0.14 -1.00 1.57 3.07 -1.99 -1.24 114.58 115.09 2oi7 h GLU 112 Ca 0.16 0.01 0.32 0.00 -0.50 0.00 0.00 59.36 59.35 2oi7 h GLU 112 Cb 0.16 0.03 -0.15 0.00 -0.84 0.00 0.00 28.75 27.95 2oi7 h GLU 112 CO -0.19 -0.09 0.57 1.15 -1.40 0.00 0.00 179.01 179.05 2oi7 h THR 113 N -0.14 0.32 0.09 1.13 2.02 -1.95 -1.24 112.91 113.13 2oi7 h THR 113 Ca 0.02 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 2oi7 h THR 113 Cb 0.19 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 2oi7 h THR 113 CO -0.16 0.06 -0.04 -0.07 0.37 0.00 0.00 175.52 175.68 2oi7 h LEU 114 N 0.34 -0.10 -1.27 2.58 3.38 -1.07 -0.83 115.31 118.33 2oi7 h LEU 114 Ca 0.73 -0.26 0.13 0.00 0.09 0.00 0.00 57.88 58.56 2oi7 h LEU 114 Cb 1.64 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 42.34 2oi7 h LEU 114 CO -0.60 0.21 0.57 1.56 0.09 0.00 0.00 178.44 180.27 2oi7 h GLN 115 N -0.42 0.73 -0.43 1.13 1.08 -0.15 0.20 115.11 117.25 2oi7 h GLN 115 Ca -0.01 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.06 2oi7 h GLN 115 Cb 0.35 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 2oi7 h GLN 115 CO 0.02 0.48 -0.09 0.00 -0.95 0.00 0.00 178.83 178.29 2oi7 h ARG 116 N 0.75 0.76 -0.40 1.46 3.08 -1.05 -2.14 114.38 116.83 2oi7 h ARG 116 Ca 0.43 -0.24 -0.12 0.00 0.07 0.00 0.00 59.98 60.12 2oi7 h ARG 116 Cb 0.60 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 2oi7 h ARG 116 CO -0.19 0.82 -0.22 1.25 -1.07 0.00 0.00 179.97 180.56 2oi7 h LEU 117 N 0.69 0.90 -1.44 3.04 5.85 0.54 -2.24 115.31 122.65 2oi7 h LEU 117 Ca 0.12 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 2oi7 h LEU 117 Cb 0.55 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2oi7 h LEU 117 CO 0.03 1.11 0.29 -0.09 -0.34 0.00 0.00 178.44 179.45 2oi7 h ARG 118 N 0.68 0.67 0.00 1.25 2.43 -0.33 -1.80 114.38 117.28 2oi7 h ARG 118 Ca 0.09 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 2oi7 h ARG 118 Cb 0.79 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2oi7 h ARG 118 CO 0.06 0.47 -0.16 -0.44 -1.51 0.00 0.00 179.97 178.40 2oi7 h ASP 119 N 0.68 0.00 0.62 -3.80 3.32 -1.14 -3.22 116.42 112.88 2oi7 h ASP 119 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2oi7 h ASP 119 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2oi7 h ASP 119 CO -0.03 0.09 -0.21 0.00 -1.72 0.00 0.00 179.24 177.36 2oi7 n ALA 120 N -2.13 2.90 -1.75 3.45 0.00 -0.71 -4.83 120.51 117.44 2oi7 n ALA 120 Ca 0.03 -0.24 -0.43 0.00 0.00 0.00 0.00 53.44 52.80 2oi7 n ALA 120 Cb 0.57 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 2oi7 n ALA 120 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2oi7 s LYS 121 N -2.84 3.19 0.76 0.00 2.20 -1.04 -4.76 119.74 117.24 2oi7 s LYS 121 Ca 0.17 1.80 -0.13 0.00 -0.36 0.00 0.00 55.97 57.45 2oi7 s LYS 121 Cb 0.19 -4.31 0.05 0.00 -1.51 0.00 0.00 37.83 32.25 2oi7 s LYS 121 CO 0.57 -2.03 1.15 -1.25 -0.36 0.00 0.00 175.35 173.43 2oi7 s PRO 122 N 6.12 2.12 0.20 4.03 0.04 -1.26 -4.91 135.00 141.34 2oi7 s PRO 122 Ca 0.93 1.50 -0.31 0.00 0.04 0.00 0.00 61.00 63.16 2oi7 s PRO 122 Cb -0.29 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.29 2oi7 s PRO 122 CO 0.34 -1.80 1.61 -1.14 0.04 0.00 0.00 177.00 176.05 2oi7 s GLN 123 N -4.30 4.18 -1.84 4.56 -0.44 -1.26 -1.48 119.66 119.08 2oi7 s GLN 123 Ca 0.68 2.46 0.00 0.00 -2.50 0.00 0.00 55.36 56.00 2oi7 s GLN 123 Cb -0.23 -3.11 0.00 0.00 -1.64 0.00 0.00 33.01 28.03 2oi7 s GLN 123 CO 0.49 -0.64 0.00 0.41 0.50 0.00 0.00 175.29 176.05 2oi7 n GLY 124 N 3.47 1.65 0.00 2.59 0.00 -1.26 -4.83 105.19 106.81 2oi7 n GLY 124 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2oi7 n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oi7 n GLY 125 N -0.28 7.49 3.17 -0.02 0.00 -0.55 -4.62 105.19 110.39 2oi7 n GLY 125 Ca -0.17 -1.96 -0.22 0.00 0.00 0.00 0.00 46.02 43.66 2oi7 n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oi7 s ILE 126 N 0.73 1.29 -0.42 -0.61 1.01 -0.47 -4.35 121.20 118.38 2oi7 s ILE 126 Ca 0.00 -0.95 -0.08 0.00 0.00 0.00 0.00 60.65 59.62 2oi7 s ILE 126 Cb 0.00 -1.13 0.09 0.00 0.01 0.00 0.00 42.46 41.43 2oi7 s ILE 126 CO 0.00 0.16 0.26 -0.83 0.00 0.00 0.00 174.94 174.53 2oi7 s GLY 127 N -0.91 1.98 -0.22 6.18 0.00 0.19 -1.15 107.32 113.39 2oi7 s GLY 127 Ca 0.04 -2.25 -0.08 0.00 0.00 0.00 0.00 44.72 42.44 2oi7 s GLY 127 CO 0.01 0.99 0.08 -2.27 0.00 0.00 0.00 173.10 171.91 2oi7 s LEU 128 N 1.38 3.67 -0.25 0.66 2.96 -0.82 -0.98 118.68 125.29 2oi7 s LEU 128 Ca 0.04 -0.05 -0.24 0.00 -0.22 0.00 0.00 54.13 53.66 2oi7 s LEU 128 Cb -0.24 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 2oi7 s LEU 128 CO 0.01 0.06 0.79 -0.22 -1.32 0.00 0.00 176.35 175.67 2oi7 s LEU 129 N 1.03 4.08 0.19 -0.68 2.96 -0.61 -1.40 118.68 124.25 2oi7 s LEU 129 Ca 0.04 0.94 0.04 0.00 -0.22 0.00 0.00 54.13 54.94 2oi7 s LEU 129 Cb -0.14 -3.12 -0.05 0.00 0.50 0.00 0.00 46.19 43.38 2oi7 s LEU 129 CO 0.03 -0.50 -0.06 0.42 -1.32 0.00 0.00 176.35 174.92 2oi7 s THR 130 N 2.80 1.15 0.09 3.68 -4.23 0.49 -2.60 115.64 117.03 2oi7 s THR 130 Ca 0.33 -2.06 -0.24 0.00 -1.18 0.00 0.00 61.69 58.54 2oi7 s THR 130 Cb -0.15 -2.10 0.06 0.00 1.34 0.00 0.00 72.50 71.65 2oi7 s THR 130 CO 0.08 -0.53 0.59 0.54 -0.54 0.00 0.00 174.62 174.76 2oi7 s VAL 131 N -3.34 0.01 -0.10 2.29 0.11 -1.12 -4.03 120.40 114.21 2oi7 s VAL 131 Ca 0.23 -0.08 -0.12 0.00 -2.93 0.00 0.00 61.98 59.08 2oi7 s VAL 131 Cb 0.04 -1.01 -0.05 0.00 -1.53 0.00 0.00 36.38 33.83 2oi7 s VAL 131 CO 0.05 -0.04 0.28 -0.75 -3.33 0.00 0.00 175.10 171.30 2oi7 s LYS 132 N -3.00 3.92 0.02 1.54 2.20 -1.26 -1.20 119.74 121.96 2oi7 s LYS 132 Ca -0.02 0.11 0.05 0.00 -0.36 0.00 0.00 55.97 55.74 2oi7 s LYS 132 Cb -0.01 -3.30 -0.02 0.00 -1.51 0.00 0.00 37.83 33.00 2oi7 s LYS 132 CO -0.06 0.53 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.81 2oi7 s LEU 133 N -0.42 2.13 0.28 5.43 1.43 -0.74 -4.99 118.68 121.79 2oi7 s LEU 133 Ca 0.18 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.87 2oi7 s LEU 133 Cb -0.14 -0.65 0.39 0.00 0.03 0.00 0.00 46.19 45.82 2oi7 s LEU 133 CO 0.06 0.08 1.84 0.44 0.23 0.00 0.00 176.35 179.00 2oi7 h ASP 134 N 5.20 0.81 -3.89 2.29 3.32 -1.99 -3.34 116.42 118.81 2oi7 h ASP 134 Ca -0.37 -0.13 -0.63 0.00 0.02 0.00 0.00 57.03 55.93 2oi7 h ASP 134 Cb 1.17 -0.21 -0.40 0.00 0.22 0.00 0.00 39.33 40.11 2oi7 h ASP 134 CO 0.45 0.76 -0.69 -0.62 -1.72 0.00 0.00 179.24 177.43 2oi7 s ASP 135 N -6.54 4.01 0.00 6.45 2.15 -1.26 -4.96 116.67 116.52 2oi7 s ASP 135 Ca -0.10 -2.74 0.11 0.00 0.43 0.00 0.00 52.55 50.24 2oi7 s ASP 135 Cb 0.16 -1.33 0.63 0.00 -0.30 0.00 0.00 42.92 42.08 2oi7 s ASP 135 CO 0.80 -0.26 1.38 -0.81 -0.17 0.00 0.00 175.17 176.11 2oi7 n PRO 136 N 3.43 0.97 -1.66 4.34 -0.04 -1.26 -4.95 135.00 135.84 2oi7 n PRO 136 Ca 0.06 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.06 2oi7 n PRO 136 Cb 0.34 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.60 2oi7 n PRO 136 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2oi7 n THR 137 N -0.67 0.56 0.00 0.52 -1.04 -1.26 -1.34 114.28 111.05 2oi7 n THR 137 Ca 0.08 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 2oi7 n THR 137 Cb 0.04 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.13 2oi7 n THR 137 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2oi7 n GLY 138 N 2.61 3.15 3.89 3.41 0.00 -1.26 -5.02 105.19 111.96 2oi7 n GLY 138 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2oi7 n GLY 138 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2oi7 s TYR 139 N -1.77 3.46 0.20 1.61 1.51 -0.45 -4.65 117.35 117.27 2oi7 s TYR 139 Ca 0.00 0.72 -0.30 0.00 -1.01 0.00 0.00 57.07 56.49 2oi7 s TYR 139 Cb 0.00 -2.16 -0.08 0.00 -0.11 0.00 0.00 41.96 39.61 2oi7 s TYR 139 CO 0.00 0.19 1.15 0.20 -1.11 0.00 0.00 175.55 175.98 2oi7 s GLY 140 N -2.93 2.82 0.30 0.71 0.00 -1.26 -3.85 107.32 103.10 2oi7 s GLY 140 Ca 0.45 0.90 -0.15 0.00 0.00 0.00 0.00 44.72 45.92 2oi7 s GLY 140 CO 0.28 1.72 0.72 0.50 0.00 0.00 0.00 173.10 176.32 2oi7 s ARG 141 N -0.54 4.03 -0.23 2.90 3.00 0.88 -0.31 118.95 128.68 2oi7 s ARG 141 Ca 0.50 0.68 -0.12 0.00 0.00 0.00 0.00 55.73 56.79 2oi7 s ARG 141 Cb -0.32 -2.52 -0.05 0.00 0.00 0.00 0.00 34.95 32.07 2oi7 s ARG 141 CO 0.37 0.20 0.24 0.42 0.00 0.00 0.00 175.30 176.53 2oi7 s ILE 142 N -1.90 5.31 0.04 1.52 -1.09 -0.27 -0.46 121.20 124.35 2oi7 s ILE 142 Ca 0.52 0.35 -0.00 0.00 -2.23 0.00 0.00 60.65 59.28 2oi7 s ILE 142 Cb -0.11 -3.57 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 2oi7 s ILE 142 CO 0.18 0.31 0.18 0.42 -1.23 0.00 0.00 174.94 174.80 2oi7 s THR 143 N 1.19 5.27 0.02 2.92 -4.23 -0.63 -4.87 115.64 115.30 2oi7 s THR 143 Ca 0.11 -0.37 -0.05 0.00 -1.18 0.00 0.00 61.69 60.20 2oi7 s THR 143 Cb -0.14 -3.53 -0.01 0.00 1.34 0.00 0.00 72.50 70.17 2oi7 s THR 143 CO 0.06 0.20 0.09 -0.13 -0.54 0.00 0.00 174.62 174.30 2oi7 s ARG 144 N -2.29 0.48 -0.18 3.99 0.52 -1.26 -0.79 118.95 119.41 2oi7 s ARG 144 Ca 0.31 -0.55 -0.05 0.00 -0.52 0.00 0.00 55.73 54.93 2oi7 s ARG 144 Cb -0.13 0.19 0.07 0.00 0.52 0.00 0.00 34.95 35.60 2oi7 s ARG 144 CO 0.24 -0.11 0.12 -1.21 0.02 0.00 0.00 175.30 174.35 2oi7 s GLU 145 N -1.74 0.09 -0.71 3.54 0.41 -0.39 -4.86 118.70 115.04 2oi7 s GLU 145 Ca -0.12 -0.05 -0.00 0.00 -0.41 0.00 0.00 54.97 54.38 2oi7 s GLU 145 Cb -0.06 -1.69 -0.00 0.00 -1.78 0.00 0.00 34.13 30.60 2oi7 s GLU 145 CO -0.01 -0.69 0.59 0.09 -0.49 0.00 0.00 175.26 174.76 2oi7 n ASN 146 N 5.29 -2.07 0.00 -0.19 3.02 -1.26 -2.83 115.26 117.23 2oi7 n ASN 146 Ca -0.07 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.12 2oi7 n ASN 146 Cb 0.49 -3.24 0.00 0.00 -0.61 0.00 0.00 39.78 36.42 2oi7 n ASN 146 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2oi7 n GLY 147 N -1.08 0.10 3.39 7.41 0.00 -1.26 -4.96 105.19 108.79 2oi7 n GLY 147 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 2oi7 n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oi7 s LYS 148 N -1.46 3.07 0.20 1.61 1.02 -1.13 -5.08 119.74 117.97 2oi7 s LYS 148 Ca 0.00 -0.71 -0.31 0.00 0.02 0.00 0.00 55.97 54.97 2oi7 s LYS 148 Cb 0.00 -2.52 -0.10 0.00 -0.52 0.00 0.00 37.83 34.69 2oi7 s LYS 148 CO 0.00 0.34 1.55 0.08 -0.92 0.00 0.00 175.35 176.40 2oi7 s VAL 149 N 0.00 2.53 -0.01 3.17 1.01 -1.26 -1.26 120.40 124.59 2oi7 s VAL 149 Ca -0.04 0.40 0.05 0.00 0.00 0.00 0.00 61.98 62.39 2oi7 s VAL 149 Cb -0.14 -3.26 -0.08 0.00 0.00 0.00 0.00 36.38 32.90 2oi7 s VAL 149 CO 0.04 0.04 0.11 0.35 0.00 0.00 0.00 175.10 175.65 2oi7 n THR 150 N 3.33 0.01 -3.13 3.92 -2.24 0.03 -4.75 114.28 111.45 2oi7 n THR 150 Ca 0.11 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2oi7 n THR 150 Cb 0.39 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 2oi7 n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oi7 n GLY 151 N 2.23 -1.37 2.94 3.38 0.00 -1.24 -3.59 105.19 107.54 2oi7 n GLY 151 Ca -0.01 -1.01 -0.23 0.00 0.00 0.00 0.00 46.02 44.76 2oi7 n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oi7 s ILE 152 N -2.91 0.85 -0.26 -0.61 1.01 -1.26 -1.60 121.20 116.43 2oi7 s ILE 152 Ca 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.32 2oi7 s ILE 152 Cb 0.00 -0.84 0.01 0.00 0.01 0.00 0.00 42.46 41.64 2oi7 s ILE 152 CO 0.00 0.30 -0.00 -0.69 0.00 0.00 0.00 174.94 174.55 2oi7 s VAL 153 N 1.00 3.45 0.78 2.92 1.01 0.40 -4.81 120.40 125.14 2oi7 s VAL 153 Ca -0.09 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.01 2oi7 s VAL 153 Cb -0.15 -2.71 0.07 0.00 0.00 0.00 0.00 36.38 33.59 2oi7 s VAL 153 CO 0.00 0.21 1.22 -0.62 0.00 0.00 0.00 175.10 175.91 2oi7 n GLU 154 N 4.78 0.33 -0.14 2.72 -0.58 -1.26 -0.08 120.64 126.41 2oi7 n GLU 154 Ca -0.16 0.19 -0.06 0.00 -0.42 0.00 0.00 57.16 56.71 2oi7 n GLU 154 Cb 0.48 -2.45 0.03 0.00 -0.57 0.00 0.00 31.44 28.93 2oi7 n GLU 154 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2oi7 h HIS 155 N -0.68 0.40 -0.20 -0.32 2.76 -1.83 0.20 115.15 115.48 2oi7 h HIS 155 Ca -0.47 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 57.70 2oi7 h HIS 155 Cb 1.31 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 30.14 2oi7 h HIS 155 CO 0.45 0.20 0.04 0.87 -1.30 0.00 0.00 177.93 178.20 2oi7 h LYS 156 N 0.43 0.28 0.00 5.26 1.79 -1.93 -2.47 116.57 119.94 2oi7 h LYS 156 Ca 0.18 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 2oi7 h LYS 156 Cb 0.09 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 2oi7 h LYS 156 CO -0.13 0.27 -0.68 -0.25 -1.08 0.00 0.00 179.45 177.58 2oi7 n ASP 157 N -4.41 0.65 -4.74 0.86 8.00 -0.81 -4.86 116.55 111.24 2oi7 n ASP 157 Ca -0.00 -0.45 -0.41 0.00 0.71 0.00 0.00 54.79 54.64 2oi7 n ASP 157 Cb 0.15 0.50 -0.04 0.00 -0.02 0.00 0.00 41.12 41.71 2oi7 n ASP 157 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2oi7 s ALA 158 N -3.02 3.35 0.78 2.24 0.00 0.65 -4.90 121.76 120.86 2oi7 s ALA 158 Ca 0.09 0.76 -0.12 0.00 0.00 0.00 0.00 51.96 52.70 2oi7 s ALA 158 Cb 0.17 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 20.03 2oi7 s ALA 158 CO 0.76 -0.11 1.15 0.95 0.00 0.00 0.00 175.76 178.50 2oi7 s THR 159 N -0.48 2.50 0.29 0.00 -4.23 -1.26 -4.76 115.64 107.71 2oi7 s THR 159 Ca 0.47 0.16 -0.00 0.00 -1.18 0.00 0.00 61.69 61.14 2oi7 s THR 159 Cb -0.28 -3.16 0.38 0.00 1.34 0.00 0.00 72.50 70.78 2oi7 s THR 159 CO 0.35 -0.21 1.59 -2.24 -0.54 0.00 0.00 174.62 173.56 2oi7 h ASP 160 N -0.93 -0.43 -0.04 3.99 2.03 -1.99 -0.35 116.42 118.70 2oi7 h ASP 160 Ca -0.46 0.26 -0.04 0.00 -0.73 0.00 0.00 57.03 56.07 2oi7 h ASP 160 Cb 1.30 0.45 0.00 0.00 -0.83 0.00 0.00 39.33 40.25 2oi7 h ASP 160 CO 0.65 -0.30 -0.12 -0.33 -1.03 0.00 0.00 179.24 178.11 2oi7 h GLU 161 N 0.04 0.14 -0.37 4.15 5.08 -2.00 -3.12 114.58 118.51 2oi7 h GLU 161 Ca 0.55 -0.11 0.11 0.00 -1.00 0.00 0.00 59.36 58.92 2oi7 h GLU 161 Cb 1.10 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2oi7 h GLU 161 CO -0.86 0.73 0.29 1.96 -1.00 0.00 0.00 179.01 180.13 2oi7 h GLN 162 N -0.42 0.00 0.00 2.33 4.20 -1.72 0.31 115.11 119.81 2oi7 h GLN 162 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2oi7 h GLN 162 Cb 0.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 2oi7 h GLN 162 CO 0.02 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 178.72 2oi7 n ARG 163 N -4.26 0.10 -0.19 1.46 1.74 -0.21 -2.18 116.66 113.11 2oi7 n ARG 163 Ca 0.06 0.24 0.09 0.00 -0.77 0.00 0.00 57.85 57.47 2oi7 n ARG 163 Cb 0.47 -1.65 0.26 0.00 -1.02 0.00 0.00 32.46 30.51 2oi7 n ARG 163 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2oi7 n GLN 164 N -1.83 2.08 -3.00 5.56 6.02 0.11 -4.80 117.38 121.51 2oi7 n GLN 164 Ca 0.04 -1.65 -0.41 0.00 -0.01 0.00 0.00 57.00 54.96 2oi7 n GLN 164 Cb 0.27 -1.40 -0.05 0.00 1.02 0.00 0.00 30.24 30.07 2oi7 n GLN 164 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2oi7 s ILE 165 N -1.49 4.89 -1.37 5.09 1.01 -0.92 -4.95 121.20 123.46 2oi7 s ILE 165 Ca 0.33 1.27 0.27 0.00 0.00 0.00 0.00 60.65 62.52 2oi7 s ILE 165 Cb 0.18 -4.05 0.20 0.00 0.01 0.00 0.00 42.46 38.80 2oi7 s ILE 165 CO 0.25 -0.08 1.60 0.00 0.00 0.00 0.00 174.94 176.70 2oi7 n GLN 166 N 5.94 0.40 -2.85 2.79 6.02 -1.26 -4.76 117.38 123.66 2oi7 n GLN 166 Ca 0.02 -0.20 -0.43 0.00 -0.01 0.00 0.00 57.00 56.38 2oi7 n GLN 166 Cb 0.48 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.20 2oi7 n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2oi7 s GLU 167 N -2.74 3.58 0.38 -1.09 2.12 -1.26 -1.78 118.70 117.91 2oi7 s GLU 167 Ca 0.19 0.19 0.08 0.00 0.36 0.00 0.00 54.97 55.79 2oi7 s GLU 167 Cb 0.19 -3.90 -0.03 0.00 0.26 0.00 0.00 34.13 30.65 2oi7 s GLU 167 CO 0.58 -1.13 0.33 0.96 -0.54 0.00 0.00 175.26 175.46 2oi7 s ILE 168 N 3.58 3.02 -0.16 -3.70 -5.25 -0.34 -1.11 121.20 117.23 2oi7 s ILE 168 Ca 0.35 -1.38 -0.20 0.00 -0.99 0.00 0.00 60.65 58.43 2oi7 s ILE 168 Cb -0.11 -3.07 -0.03 0.00 2.95 0.00 0.00 42.46 42.20 2oi7 s ILE 168 CO 0.24 -0.08 0.58 0.21 -1.79 0.00 0.00 174.94 174.10 2oi7 s ASN 169 N -4.06 6.70 0.05 4.36 2.47 0.58 -2.81 114.94 122.24 2oi7 s ASN 169 Ca 0.44 0.85 0.26 0.00 0.42 0.00 0.00 52.86 54.83 2oi7 s ASN 169 Cb -0.04 -2.33 1.06 0.00 -1.45 0.00 0.00 41.25 38.48 2oi7 s ASN 169 CO 0.27 -0.17 1.83 0.35 -3.72 0.00 0.00 177.10 175.66 2oi7 n THR 170 N 4.30 0.30 -0.02 -5.21 -2.24 -1.07 -4.55 114.28 105.78 2oi7 n THR 170 Ca -0.03 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2oi7 n THR 170 Cb 0.50 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 2oi7 n THR 170 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oi7 n GLY 171 N 1.19 1.44 3.70 3.38 0.00 -1.26 -4.95 105.19 108.68 2oi7 n GLY 171 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2oi7 n GLY 171 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oi7 s ILE 172 N -2.51 5.22 0.14 -0.61 1.01 -1.26 -4.69 121.20 118.50 2oi7 s ILE 172 Ca 0.00 0.12 -0.20 0.00 0.00 0.00 0.00 60.65 60.58 2oi7 s ILE 172 Cb 0.00 -3.38 0.05 0.00 0.01 0.00 0.00 42.46 39.15 2oi7 s ILE 172 CO 0.00 0.44 0.50 -1.48 0.00 0.00 0.00 174.94 174.40 2oi7 s LEU 173 N 0.40 -0.09 0.05 2.97 0.05 -1.16 -1.58 118.68 119.32 2oi7 s LEU 173 Ca 0.06 -0.16 0.03 0.00 0.05 0.00 0.00 54.13 54.12 2oi7 s LEU 173 Cb -0.12 2.22 -0.02 0.00 -2.05 0.00 0.00 46.19 46.22 2oi7 s LEU 173 CO -0.01 -0.91 -0.09 -0.51 -0.55 0.00 0.00 176.35 174.28 2oi7 s ILE 174 N -3.77 0.61 0.14 1.48 2.07 -0.16 -0.96 121.20 120.61 2oi7 s ILE 174 Ca 0.02 -1.11 -0.25 0.00 -1.41 0.00 0.00 60.65 57.89 2oi7 s ILE 174 Cb 0.00 -0.67 0.07 0.00 0.13 0.00 0.00 42.46 41.99 2oi7 s ILE 174 CO -0.12 -0.37 0.94 0.00 -1.91 0.00 0.00 174.94 173.48 2oi7 s ALA 175 N -1.38 -1.66 0.39 1.50 0.00 -0.82 -0.63 121.76 119.16 2oi7 s ALA 175 Ca -0.09 0.21 -0.26 0.00 0.00 0.00 0.00 51.96 51.83 2oi7 s ALA 175 Cb -0.10 0.62 -0.09 0.00 0.00 0.00 0.00 23.12 23.56 2oi7 s ALA 175 CO 0.01 -1.00 1.25 1.21 0.00 0.00 0.00 175.76 177.22 2oi7 s ASN 176 N -2.89 6.46 0.14 0.00 3.84 -1.26 0.14 114.94 121.36 2oi7 s ASN 176 Ca 0.11 2.53 -0.20 0.00 0.21 0.00 0.00 52.86 55.52 2oi7 s ASN 176 Cb -0.01 -2.63 -0.00 0.00 -0.55 0.00 0.00 41.25 38.05 2oi7 s ASN 176 CO 0.01 -0.73 1.70 1.23 -2.79 0.00 0.00 177.10 176.51 2oi7 h GLY 177 N 2.76 0.16 0.40 1.21 0.00 -1.03 0.51 103.07 107.08 2oi7 h GLY 177 Ca -0.49 0.08 0.02 0.00 0.00 0.00 0.00 47.33 46.94 2oi7 h GLY 177 CO 0.63 -0.09 -0.35 0.00 0.00 0.00 0.00 176.54 176.73 2oi7 h ALA 178 N 1.22 -0.61 -0.48 3.60 0.00 -1.67 0.44 119.26 121.77 2oi7 h ALA 178 Ca 0.11 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.03 2oi7 h ALA 178 Cb 0.18 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 2oi7 h ALA 178 CO -0.25 -0.90 0.18 -0.44 0.00 0.00 0.00 179.25 177.84 2oi7 h ASP 179 N -0.58 0.20 -0.37 0.00 3.32 -1.86 -1.36 116.42 115.77 2oi7 h ASP 179 Ca 0.03 0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.19 2oi7 h ASP 179 Cb 0.61 0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.13 2oi7 h ASP 179 CO -0.20 0.15 0.03 -0.03 -1.72 0.00 0.00 179.24 177.46 2oi7 h MET 180 N 0.36 0.13 -0.81 3.56 4.05 -0.23 -1.11 114.93 120.89 2oi7 h MET 180 Ca 0.23 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.63 2oi7 h MET 180 Cb 0.22 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.95 2oi7 h MET 180 CO -0.22 0.09 0.46 0.87 0.23 0.00 0.00 176.91 178.34 2oi7 h LYS 181 N 0.14 1.11 0.07 0.39 1.57 -0.45 -1.96 116.57 117.43 2oi7 h LYS 181 Ca 0.18 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2oi7 h LYS 181 Cb 0.24 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2oi7 h LYS 181 CO -0.28 0.80 -0.03 0.00 -0.57 0.00 0.00 179.45 179.36 2oi7 h ARG 182 N 1.12 -0.09 0.00 3.15 3.08 -0.13 -3.01 114.38 118.51 2oi7 h ARG 182 Ca 0.29 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.29 2oi7 h ARG 182 Cb -0.00 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2oi7 h ARG 182 CO -0.05 0.04 -0.26 -1.49 -1.07 0.00 0.00 179.97 177.14 2oi7 h TRP 183 N -0.20 0.00 -0.15 3.04 6.55 -1.13 -2.73 115.95 121.32 2oi7 h TRP 183 Ca -0.01 0.00 -0.13 0.00 0.95 0.00 0.00 58.89 59.70 2oi7 h TRP 183 Cb 0.17 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.46 2oi7 h TRP 183 CO -0.04 0.26 -0.48 -0.07 -1.05 0.00 0.00 178.44 177.06 2oi7 h LEU 184 N 0.00 0.43 -0.19 -4.49 3.38 -1.28 -2.69 115.31 110.47 2oi7 h LEU 184 Ca -0.00 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2oi7 h LEU 184 Cb 0.47 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2oi7 h LEU 184 CO 0.03 0.85 0.00 0.00 0.09 0.00 0.00 178.44 179.41 2oi7 n ALA 185 N -2.49 1.71 -0.30 1.53 0.00 -1.03 -2.22 120.51 117.71 2oi7 n ALA 185 Ca -0.02 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.51 2oi7 n ALA 185 Cb 0.55 -1.29 0.28 0.00 0.00 0.00 0.00 19.45 18.99 2oi7 n ALA 185 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2oi7 n LYS 186 N -1.72 2.74 -2.76 0.00 5.02 -1.01 -4.98 118.16 115.44 2oi7 n LYS 186 Ca 0.03 -2.51 -0.38 0.00 -2.02 0.00 0.00 58.31 53.43 2oi7 n LYS 186 Cb 0.20 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.65 2oi7 n LYS 186 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2oi7 s LEU 187 N -1.02 4.46 0.00 -0.35 1.43 -0.94 -5.07 118.68 117.18 2oi7 s LEU 187 Ca 0.43 1.89 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 2oi7 s LEU 187 Cb 0.23 -3.86 0.00 0.00 0.03 0.00 0.00 46.19 42.58 2oi7 s LEU 187 CO 0.30 0.01 0.00 0.35 0.23 0.00 0.00 176.35 177.24 2oi7 n THR 188 N 0.91 0.00 -2.46 5.49 -2.24 -1.26 -5.09 114.28 109.62 2oi7 n THR 188 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2oi7 n THR 188 Cb 0.49 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.77 2oi7 n THR 188 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2oi7 n ASN 189 N -2.21 1.64 -3.83 3.42 6.94 -1.26 -4.33 115.26 115.64 2oi7 n ASN 189 Ca 0.00 -2.39 -0.42 0.00 -0.02 0.00 0.00 54.58 51.74 2oi7 n ASN 189 Cb 0.00 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.03 2oi7 n ASN 189 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2oi7 n ASN 190 N -0.18 4.56 -3.54 0.53 4.13 -1.26 -3.89 115.26 115.61 2oi7 n ASN 190 Ca 0.11 -2.99 -0.16 0.00 1.68 0.00 0.00 54.58 53.23 2oi7 n ASN 190 Cb 0.96 -1.56 -0.07 0.00 -1.54 0.00 0.00 39.78 37.57 2oi7 n ASN 190 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2oi7 s ASN 191 N 1.97 1.00 0.66 6.41 2.20 -1.26 -5.02 114.94 120.88 2oi7 s ASN 191 Ca 0.43 -1.54 0.34 0.00 -0.94 0.00 0.00 52.86 51.16 2oi7 s ASN 191 Cb 0.11 0.56 1.87 0.00 -2.00 0.00 0.00 41.25 41.78 2oi7 s ASN 191 CO -0.04 -1.10 2.05 0.00 -2.94 0.00 0.00 177.10 175.07 2oi7 h ALA 192 N 2.24 1.22 -0.00 3.54 0.00 -1.89 -2.10 119.26 122.27 2oi7 h ALA 192 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2oi7 h ALA 192 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2oi7 h ALA 192 CO 0.40 -0.22 -0.27 1.04 0.00 0.00 0.00 179.25 180.20 2oi7 n GLN 193 N -2.92 4.24 -1.26 0.00 6.02 -1.26 -4.99 117.38 117.20 2oi7 n GLN 193 Ca -0.02 -0.12 -0.09 0.00 -0.01 0.00 0.00 57.00 56.76 2oi7 n GLN 193 Cb 0.28 -0.85 -0.04 0.00 1.02 0.00 0.00 30.24 30.65 2oi7 n GLN 193 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2oi7 n GLY 194 N 1.06 1.04 4.00 1.08 0.00 -0.79 -5.02 105.19 106.57 2oi7 n GLY 194 Ca 0.02 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 2oi7 n GLY 194 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2oi7 s GLU 195 N -2.57 2.75 -0.60 1.61 2.02 -1.26 -4.80 118.70 115.85 2oi7 s GLU 195 Ca 0.00 -1.31 -0.17 0.00 0.02 0.00 0.00 54.97 53.51 2oi7 s GLU 195 Cb 0.00 -2.71 0.13 0.00 0.10 0.00 0.00 34.13 31.65 2oi7 s GLU 195 CO 0.00 -0.33 0.61 0.71 0.02 0.00 0.00 175.26 176.27 2oi7 s TYR 196 N -2.40 3.23 -0.10 1.61 1.51 -0.23 -4.20 117.35 116.78 2oi7 s TYR 196 Ca 0.55 -1.28 -0.30 0.00 -1.01 0.00 0.00 57.07 55.04 2oi7 s TYR 196 Cb -0.09 -3.88 -0.04 0.00 -0.11 0.00 0.00 41.96 37.84 2oi7 s TYR 196 CO 0.33 -1.11 1.49 0.71 -1.11 0.00 0.00 175.55 175.86 2oi7 s TYR 197 N 1.78 2.35 0.38 2.71 4.12 -1.26 0.79 117.35 128.21 2oi7 s TYR 197 Ca 0.08 0.53 0.17 0.00 0.02 0.00 0.00 57.07 57.87 2oi7 s TYR 197 Cb -0.25 -3.75 0.92 0.00 -1.52 0.00 0.00 41.96 37.36 2oi7 s TYR 197 CO 0.02 -2.96 1.90 0.97 0.02 0.00 0.00 175.55 175.50 2oi7 h ILE 198 N 5.52 1.06 0.00 2.71 6.09 -1.89 -2.45 117.51 128.55 2oi7 h ILE 198 Ca -0.34 -1.02 0.00 0.00 -1.37 0.00 0.00 64.86 62.13 2oi7 h ILE 198 Cb 1.15 1.57 0.00 0.00 0.47 0.00 0.00 36.82 40.01 2oi7 h ILE 198 CO 0.96 0.28 0.00 0.35 -3.07 0.00 0.00 178.15 176.67 2oi7 n THR 199 N -3.99 1.59 0.31 2.19 -2.24 -1.26 -2.10 114.28 108.77 2oi7 n THR 199 Ca -0.02 0.49 0.15 0.00 -2.27 0.00 0.00 64.05 62.40 2oi7 n THR 199 Cb 0.35 -1.44 0.52 0.00 -2.10 0.00 0.00 70.33 67.66 2oi7 n THR 199 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2oi7 h ASP 200 N 0.00 0.00 0.36 3.42 3.45 -1.75 -3.10 116.42 118.80 2oi7 h ASP 200 Ca 0.00 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.43 2oi7 h ASP 200 Cb 0.06 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.83 2oi7 h ASP 200 CO 0.00 0.00 -0.14 0.16 -1.57 0.00 0.00 179.24 177.69 2oi7 h ILE 201 N 0.00 0.66 0.81 0.35 3.07 -1.65 -2.23 117.51 118.51 2oi7 h ILE 201 Ca 0.00 -0.59 -0.04 0.00 1.55 0.00 0.00 64.86 65.78 2oi7 h ILE 201 Cb 0.61 1.37 0.01 0.00 -0.27 0.00 0.00 36.82 38.54 2oi7 h ILE 201 CO 0.00 0.14 -0.39 0.40 -1.05 0.00 0.00 178.15 177.25 2oi7 h ILE 202 N 0.00 0.19 -0.70 0.16 1.08 -1.78 0.51 117.51 116.97 2oi7 h ILE 202 Ca -0.00 -0.04 0.08 0.00 -0.39 0.00 0.00 64.86 64.51 2oi7 h ILE 202 Cb 0.36 0.20 -0.04 0.00 -3.07 0.00 0.00 36.82 34.26 2oi7 h ILE 202 CO 0.02 0.00 0.46 0.00 -0.69 0.00 0.00 178.15 177.94 2oi7 h ALA 203 N -0.93 1.80 0.41 1.87 0.00 -1.58 -0.17 119.26 120.67 2oi7 h ALA 203 Ca -0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2oi7 h ALA 203 Cb 0.84 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2oi7 h ALA 203 CO 0.18 0.07 -0.20 -0.07 0.00 0.00 0.00 179.25 179.24 2oi7 h LEU 204 N 0.65 -0.47 -0.81 0.00 3.38 -0.81 -1.64 115.31 115.61 2oi7 h LEU 204 Ca 0.31 -0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.33 2oi7 h LEU 204 Cb 0.37 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.15 2oi7 h LEU 204 CO -0.10 -0.21 0.41 0.00 0.09 0.00 0.00 178.44 178.63 2oi7 h ALA 205 N -0.19 1.17 -0.03 1.53 0.00 0.53 -0.90 119.26 121.37 2oi7 h ALA 205 Ca -0.06 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2oi7 h ALA 205 Cb 0.51 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2oi7 h ALA 205 CO 0.09 -0.05 -0.04 -0.92 0.00 0.00 0.00 179.25 178.33 2oi7 h TYR 206 N 0.64 -0.10 -0.48 0.00 3.20 -0.80 -1.43 116.97 118.00 2oi7 h TYR 206 Ca 0.42 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.32 2oi7 h TYR 206 Cb 0.52 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 2oi7 h TYR 206 CO -0.09 -0.07 0.32 1.96 -1.64 0.00 0.00 178.16 178.64 2oi7 h GLN 207 N -0.06 0.55 0.00 1.82 1.08 -0.60 0.32 115.11 118.22 2oi7 h GLN 207 Ca 0.03 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2oi7 h GLN 207 Cb 0.10 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 2oi7 h GLN 207 CO -0.07 0.36 0.00 0.39 -0.95 0.00 0.00 178.83 178.56 2oi7 n GLU 208 N -4.47 0.61 -0.56 1.46 1.02 -0.41 -4.82 120.64 113.47 2oi7 n GLU 208 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2oi7 n GLU 208 Cb 0.12 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 2oi7 n GLU 208 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2oi7 n GLY 209 N 0.19 1.86 3.74 0.62 0.00 0.11 -5.02 105.19 106.70 2oi7 n GLY 209 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2oi7 n GLY 209 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oi7 s ARG 210 N -0.00 1.88 -0.06 1.61 1.81 -0.63 -4.99 118.95 118.57 2oi7 s ARG 210 Ca 0.00 1.22 -0.03 0.00 -1.72 0.00 0.00 55.73 55.20 2oi7 s ARG 210 Cb 0.00 -1.85 -0.04 0.00 -0.45 0.00 0.00 34.95 32.61 2oi7 s ARG 210 CO 0.00 -1.93 0.09 -2.00 -0.68 0.00 0.00 175.30 170.78 2oi7 s GLU 211 N -4.85 3.19 -0.22 3.54 2.12 -1.26 -4.30 118.70 116.93 2oi7 s GLU 211 Ca 0.63 -0.35 -0.01 0.00 0.36 0.00 0.00 54.97 55.59 2oi7 s GLU 211 Cb -0.18 -2.96 0.01 0.00 0.26 0.00 0.00 34.13 31.26 2oi7 s GLU 211 CO 0.57 0.70 -0.10 0.42 -0.54 0.00 0.00 175.26 176.30 2oi7 s ILE 212 N -1.09 2.74 -0.28 -3.70 1.09 -1.26 -1.37 121.20 117.34 2oi7 s ILE 212 Ca 0.19 -0.84 -0.11 0.00 -1.10 0.00 0.00 60.65 58.79 2oi7 s ILE 212 Cb -0.12 -2.28 -0.05 0.00 -1.06 0.00 0.00 42.46 38.96 2oi7 s ILE 212 CO 0.09 0.38 0.20 -0.69 -0.10 0.00 0.00 174.94 174.82 2oi7 s VAL 213 N 1.36 5.30 0.12 2.92 1.01 -0.30 -4.58 120.40 126.23 2oi7 s VAL 213 Ca 0.03 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 2oi7 s VAL 213 Cb -0.15 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 2oi7 s VAL 213 CO -0.07 0.24 1.04 0.00 0.00 0.00 0.00 175.10 176.31 2oi7 s ALA 214 N 1.77 3.30 -0.02 5.51 0.00 -1.26 -1.94 121.76 129.12 2oi7 s ALA 214 Ca 0.07 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.76 2oi7 s ALA 214 Cb -0.16 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 2oi7 s ALA 214 CO 0.11 -0.16 -0.14 0.08 0.00 0.00 0.00 175.76 175.65 2oi7 s VAL 215 N 0.13 1.12 0.10 0.00 1.01 -0.49 -4.96 120.40 117.30 2oi7 s VAL 215 Ca 0.50 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.94 2oi7 s VAL 215 Cb -0.26 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 2oi7 s VAL 215 CO 0.31 0.32 -0.05 -1.00 0.00 0.00 0.00 175.10 174.69 2oi7 s HIS 216 N -0.24 2.87 0.90 5.22 3.76 -1.26 -0.38 115.29 126.16 2oi7 s HIS 216 Ca 0.04 -0.09 -0.12 0.00 -0.15 0.00 0.00 55.06 54.73 2oi7 s HIS 216 Cb -0.06 -1.48 0.18 0.00 1.11 0.00 0.00 32.58 32.33 2oi7 s HIS 216 CO -0.00 0.46 1.24 -1.25 -0.85 0.00 0.00 174.74 174.34 2oi7 s PRO 217 N -2.30 0.90 -0.11 8.40 0.04 -1.26 -5.01 135.00 135.67 2oi7 s PRO 217 Ca 0.24 -0.59 -0.20 0.00 0.04 0.00 0.00 61.00 60.48 2oi7 s PRO 217 Cb -0.11 -1.97 -0.17 0.00 0.04 0.00 0.00 34.50 32.28 2oi7 s PRO 217 CO 0.16 -2.17 0.63 1.96 0.04 0.00 0.00 177.00 177.62 2oi7 h GLN 218 N -1.36 -0.04 -6.53 4.56 4.20 -2.00 -3.46 115.11 110.47 2oi7 h GLN 218 Ca -0.42 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 57.62 2oi7 h GLN 218 Cb 1.24 0.01 -0.16 0.00 0.30 0.00 0.00 27.48 28.88 2oi7 h GLN 218 CO 0.38 0.58 -0.73 1.03 -0.67 0.00 0.00 178.83 179.42 2oi7 s ARG 219 N -2.41 2.17 0.28 1.46 3.00 -1.26 -5.02 118.95 117.16 2oi7 s ARG 219 Ca -0.13 -1.00 0.04 0.00 0.00 0.00 0.00 55.73 54.64 2oi7 s ARG 219 Cb -0.01 -2.32 0.41 0.00 0.00 0.00 0.00 34.95 33.02 2oi7 s ARG 219 CO 0.48 0.51 1.70 -0.07 0.00 0.00 0.00 175.30 177.92 2oi7 h LEU 220 N 3.66 0.40 -2.10 2.53 -0.00 -1.98 -3.12 115.31 114.70 2oi7 h LEU 220 Ca -0.49 -0.15 -0.01 0.00 -0.00 0.00 0.00 57.88 57.22 2oi7 h LEU 220 Cb 1.17 -0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 41.71 2oi7 h LEU 220 CO 0.52 0.72 -0.07 0.77 -0.00 0.00 0.00 178.44 180.39 2oi7 h SER 221 N 0.33 0.00 0.72 -0.43 4.64 -1.97 -2.85 113.55 114.00 2oi7 h SER 221 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2oi7 h SER 221 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2oi7 h SER 221 CO 0.06 0.07 0.00 -1.84 -0.87 0.00 0.00 176.83 174.25 2oi7 n GLU 222 N -3.96 0.03 -0.02 4.77 0.28 -1.18 -2.74 120.64 117.81 2oi7 n GLU 222 Ca -0.03 0.18 0.01 0.00 -0.16 0.00 0.00 57.16 57.16 2oi7 n GLU 222 Cb 0.16 -1.54 0.02 0.00 1.43 0.00 0.00 31.44 31.50 2oi7 n GLU 222 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 2oi7 n VAL 223 N -1.59 1.00 -2.40 3.84 0.24 -1.08 -1.41 118.33 116.93 2oi7 n VAL 223 Ca 0.05 -1.00 -0.41 0.00 -2.04 0.00 0.00 64.34 60.94 2oi7 n VAL 223 Cb 0.24 0.50 -0.04 0.00 -1.47 0.00 0.00 33.84 33.08 2oi7 n VAL 223 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2oi7 s GLU 224 N -1.00 4.55 0.20 7.34 0.41 -1.11 -4.83 118.70 124.26 2oi7 s GLU 224 Ca 0.02 1.87 0.05 0.00 -0.41 0.00 0.00 54.97 56.50 2oi7 s GLU 224 Cb 0.01 -3.20 -0.03 0.00 -1.78 0.00 0.00 34.13 29.12 2oi7 s GLU 224 CO 0.02 0.04 0.24 0.20 -0.49 0.00 0.00 175.26 175.27 2oi7 s GLY 225 N -0.37 1.52 -0.24 -1.39 0.00 -1.26 -4.55 107.32 101.04 2oi7 s GLY 225 Ca 0.49 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.99 2oi7 s GLY 225 CO 0.40 -1.23 -0.10 0.14 0.00 0.00 0.00 173.10 172.30 2oi7 s VAL 226 N -1.89 2.50 -0.06 1.40 1.01 -0.37 -4.85 120.40 118.14 2oi7 s VAL 226 Ca 0.33 -1.19 0.02 0.00 0.00 0.00 0.00 61.98 61.14 2oi7 s VAL 226 Cb -0.10 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 2oi7 s VAL 226 CO 0.26 0.20 0.07 0.59 0.00 0.00 0.00 175.10 176.22 2oi7 n ASN 227 N 4.59 1.67 -3.95 3.32 3.02 -1.26 -4.85 115.26 117.80 2oi7 n ASN 227 Ca -0.17 -0.35 -0.09 0.00 -0.03 0.00 0.00 54.58 53.94 2oi7 n ASN 227 Cb 0.46 1.03 -0.05 0.00 -0.61 0.00 0.00 39.78 40.61 2oi7 n ASN 227 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2oi7 s ASN 228 N -1.55 -0.11 0.29 6.41 2.20 -1.26 -3.61 114.94 117.30 2oi7 s ASN 228 Ca 0.00 -0.83 -0.00 0.00 -0.94 0.00 0.00 52.86 51.09 2oi7 s ASN 228 Cb 0.01 0.58 0.50 0.00 -2.00 0.00 0.00 41.25 40.34 2oi7 s ASN 228 CO 0.08 -1.11 1.90 0.03 -2.94 0.00 0.00 177.10 175.05 2oi7 h ARG 229 N 2.26 1.04 -0.36 3.55 2.47 -1.87 -1.91 114.38 119.56 2oi7 h ARG 229 Ca -0.27 -0.06 0.01 0.00 -1.26 0.00 0.00 59.98 58.40 2oi7 h ARG 229 Cb 1.25 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 29.32 2oi7 h ARG 229 CO 0.36 0.69 0.23 1.25 0.56 0.00 0.00 179.97 183.06 2oi7 h LEU 230 N 1.07 0.40 -0.66 3.04 5.85 -1.97 0.46 115.31 123.50 2oi7 h LEU 230 Ca 0.41 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 59.02 2oi7 h LEU 230 Cb 0.21 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2oi7 h LEU 230 CO -0.16 0.29 -0.04 1.56 -0.34 0.00 0.00 178.44 179.74 2oi7 h GLN 231 N 0.48 1.00 -0.28 1.25 4.20 -1.81 -2.08 115.11 117.87 2oi7 h GLN 231 Ca 0.13 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 2oi7 h GLN 231 Cb -0.04 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 2oi7 h GLN 231 CO -0.04 1.01 0.15 1.25 -0.67 0.00 0.00 178.83 180.53 2oi7 h LEU 232 N 0.91 0.34 -0.58 1.46 5.85 -1.02 -1.36 115.31 120.91 2oi7 h LEU 232 Ca 0.16 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.80 2oi7 h LEU 232 Cb 0.59 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2oi7 h LEU 232 CO 0.04 0.33 0.38 -1.28 -0.34 0.00 0.00 178.44 177.56 2oi7 h SER 233 N 0.33 0.64 -0.43 1.25 0.87 -0.72 0.62 113.55 116.11 2oi7 h SER 233 Ca 0.10 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.58 2oi7 h SER 233 Cb 0.06 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 2oi7 h SER 233 CO -0.02 0.46 0.06 0.03 -0.53 0.00 0.00 176.83 176.83 2oi7 h ARG 234 N 0.76 0.80 -0.34 2.24 3.08 -1.19 -0.34 114.38 119.39 2oi7 h ARG 234 Ca 0.22 -0.19 -0.15 0.00 0.07 0.00 0.00 59.98 59.93 2oi7 h ARG 234 Cb -0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 2oi7 h ARG 234 CO -0.06 0.77 -0.37 1.25 -1.07 0.00 0.00 179.97 180.49 2oi7 h LEU 235 N 0.76 0.86 0.00 3.04 5.85 -0.74 -0.88 115.31 124.19 2oi7 h LEU 235 Ca 0.16 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.51 2oi7 h LEU 235 Cb 0.38 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 2oi7 h LEU 235 CO 0.01 1.13 -0.10 -0.08 -0.34 0.00 0.00 178.44 179.07 2oi7 h GLU 236 N 0.67 -0.16 -0.71 1.25 4.57 -0.40 -0.17 114.58 119.63 2oi7 h GLU 236 Ca 0.06 0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.34 2oi7 h GLU 236 Cb 0.93 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.49 2oi7 h GLU 236 CO 0.09 -0.11 0.36 0.00 -1.18 0.00 0.00 179.01 178.17 2oi7 h ARG 237 N -0.17 0.61 -0.37 1.92 2.47 -0.67 0.15 114.38 118.33 2oi7 h ARG 237 Ca 0.04 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 2oi7 h ARG 237 Cb 0.21 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 2oi7 h ARG 237 CO -0.10 0.40 0.13 0.28 0.56 0.00 0.00 179.97 181.25 2oi7 h VAL 238 N 0.63 1.20 -0.48 2.04 2.07 -0.80 -1.16 116.25 119.75 2oi7 h VAL 238 Ca 0.34 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 2oi7 h VAL 238 Cb 0.34 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2oi7 h VAL 238 CO -0.25 0.23 0.21 0.22 0.02 0.00 0.00 177.57 177.99 2oi7 h TYR 239 N 0.45 0.71 -0.79 1.57 3.20 -0.25 -0.27 116.97 121.59 2oi7 h TYR 239 Ca 0.12 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 2oi7 h TYR 239 Cb 0.22 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 2oi7 h TYR 239 CO 0.00 0.59 0.34 1.96 -1.64 0.00 0.00 178.16 179.41 2oi7 h GLN 240 N 0.63 1.15 -0.86 1.82 1.08 -0.62 -1.99 115.11 116.32 2oi7 h GLN 240 Ca 0.16 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 2oi7 h GLN 240 Cb 0.16 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.36 2oi7 h GLN 240 CO -0.02 0.91 0.45 0.77 -0.95 0.00 0.00 178.83 179.99 2oi7 h SER 241 N 1.14 1.10 0.20 1.46 0.02 -0.54 -0.38 113.55 116.54 2oi7 h SER 241 Ca 0.27 -0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 60.98 2oi7 h SER 241 Cb 0.17 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2oi7 h SER 241 CO -0.03 0.90 -0.44 -0.33 -1.14 0.00 0.00 176.83 175.79 2oi7 h GLU 242 N 1.21 0.31 -0.10 3.45 5.08 -0.68 -2.54 114.58 121.31 2oi7 h GLU 242 Ca 0.30 -0.16 -0.23 0.00 -1.00 0.00 0.00 59.36 58.27 2oi7 h GLU 242 Cb 0.07 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.34 2oi7 h GLU 242 CO -0.04 0.70 -0.85 1.96 -1.00 0.00 0.00 179.01 179.77 2oi7 h GLN 243 N 0.25 0.71 -0.35 2.33 1.08 -0.98 -2.85 115.11 115.30 2oi7 h GLN 243 Ca 0.02 -0.63 -0.07 0.00 -1.45 0.00 0.00 58.65 56.51 2oi7 h GLN 243 Cb 0.88 0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 28.45 2oi7 h GLN 243 CO 0.07 1.24 -0.09 0.00 -0.95 0.00 0.00 178.83 179.10 2oi7 h ALA 244 N 0.57 1.19 -0.08 3.87 0.00 -1.06 -1.77 119.26 121.97 2oi7 h ALA 244 Ca -0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2oi7 h ALA 244 Cb 1.48 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2oi7 h ALA 244 CO 0.17 0.52 -0.03 0.93 0.00 0.00 0.00 179.25 180.84 2oi7 h GLU 245 N 0.55 0.17 -0.69 0.00 5.08 -1.47 -1.54 114.58 116.68 2oi7 h GLU 245 Ca 0.10 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2oi7 h GLU 245 Cb 0.49 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2oi7 h GLU 245 CO 0.03 0.51 0.43 0.87 -1.00 0.00 0.00 179.01 179.84 2oi7 h LYS 246 N -0.19 0.92 -0.24 2.33 1.57 -1.38 0.48 116.57 120.06 2oi7 h LYS 246 Ca 0.02 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 2oi7 h LYS 246 Cb 0.46 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2oi7 h LYS 246 CO 0.01 0.63 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.31 2oi7 h LEU 247 N 0.94 0.55 0.12 2.94 3.38 -1.27 -2.37 115.31 119.59 2oi7 h LEU 247 Ca 0.25 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2oi7 h LEU 247 Cb -0.06 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2oi7 h LEU 247 CO -0.05 0.85 -0.06 -0.07 0.09 0.00 0.00 178.44 179.20 2oi7 h LEU 248 N 0.24 -0.14 -2.58 1.67 3.38 -0.85 -0.29 115.31 116.75 2oi7 h LEU 248 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2oi7 h LEU 248 Cb 0.66 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 2oi7 h LEU 248 CO 0.04 -0.10 -0.01 -0.07 0.09 0.00 0.00 178.44 178.39 2oi7 h LEU 249 N -0.16 0.00 -0.01 1.67 3.38 -0.92 0.05 115.31 119.32 2oi7 h LEU 249 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2oi7 h LEU 249 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2oi7 h LEU 249 CO 0.03 0.01 -0.21 0.00 0.09 0.00 0.00 178.44 178.36 2oi7 n ALA 250 N -2.21 2.85 0.00 1.53 0.00 -0.70 -4.91 120.51 117.08 2oi7 n ALA 250 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2oi7 n ALA 250 Cb 0.11 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2oi7 n ALA 250 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oi7 n GLY 251 N 1.49 1.01 3.71 0.00 0.00 0.00 -5.04 105.19 106.36 2oi7 n GLY 251 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2oi7 n GLY 251 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oi7 s VAL 252 N -2.00 4.96 -0.55 1.61 1.01 -0.20 -4.29 120.40 120.94 2oi7 s VAL 252 Ca 0.00 1.70 -0.19 0.00 0.00 0.00 0.00 61.98 63.48 2oi7 s VAL 252 Cb 0.00 -4.16 0.08 0.00 0.00 0.00 0.00 36.38 32.30 2oi7 s VAL 252 CO 0.00 0.19 0.68 -0.32 0.00 0.00 0.00 175.10 175.65 2oi7 s MET 253 N 1.06 3.10 -0.28 2.72 1.75 -0.32 -3.86 119.30 123.47 2oi7 s MET 253 Ca 0.43 -1.03 -0.10 0.00 -1.25 0.00 0.00 55.69 53.73 2oi7 s MET 253 Cb -0.19 -4.17 -0.04 0.00 2.84 0.00 0.00 34.83 33.27 2oi7 s MET 253 CO 0.21 -1.38 0.17 -0.51 -0.65 0.00 0.00 175.02 172.86 2oi7 s LEU 254 N 2.75 3.93 0.51 4.11 1.43 -1.26 -0.90 118.68 129.25 2oi7 s LEU 254 Ca 0.14 -0.10 0.20 0.00 -1.03 0.00 0.00 54.13 53.35 2oi7 s LEU 254 Cb -0.21 -2.07 1.30 0.00 0.03 0.00 0.00 46.19 45.24 2oi7 s LEU 254 CO 0.10 -0.06 2.05 0.03 0.23 0.00 0.00 176.35 178.69 2oi7 h ARG 255 N 8.35 0.06 -1.60 1.70 -0.00 -1.56 -3.39 114.38 117.95 2oi7 h ARG 255 Ca -0.35 -0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.02 2oi7 h ARG 255 Cb 1.18 -0.01 -0.27 0.00 0.00 0.00 0.00 29.97 30.87 2oi7 h ARG 255 CO 0.56 0.04 -0.45 0.34 0.00 0.00 0.00 179.97 180.47 2oi7 s ASP 256 N -6.53 -0.19 0.39 7.04 -1.08 -1.26 -4.94 116.67 110.09 2oi7 s ASP 256 Ca -0.05 0.19 0.05 0.00 -0.52 0.00 0.00 52.55 52.22 2oi7 s ASP 256 Cb 0.19 1.40 0.77 0.00 -1.46 0.00 0.00 42.92 43.82 2oi7 s ASP 256 CO 0.71 -0.31 2.03 -0.65 0.52 0.00 0.00 175.17 177.48 2oi7 h PRO 257 N 8.13 0.66 0.00 4.34 0.11 -1.96 -1.68 132.00 141.60 2oi7 h PRO 257 Ca -0.16 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2oi7 h PRO 257 Cb 1.15 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2oi7 h PRO 257 CO 0.26 0.43 0.00 0.00 -0.21 0.00 0.00 178.00 178.48 2oi7 n ALA 258 N -2.46 1.66 -2.58 -0.75 0.00 -1.26 -3.38 120.51 111.74 2oi7 n ALA 258 Ca 0.05 0.08 -0.25 0.00 0.00 0.00 0.00 53.44 53.31 2oi7 n ALA 258 Cb 0.07 -1.38 -0.00 0.00 0.00 0.00 0.00 19.45 18.14 2oi7 n ALA 258 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2oi7 n ARG 259 N -2.18 3.12 -3.85 0.00 1.74 -0.63 -5.03 116.66 109.83 2oi7 n ARG 259 Ca 0.02 -4.41 -0.12 0.00 -0.77 0.00 0.00 57.85 52.57 2oi7 n ARG 259 Cb 0.22 -2.13 -0.13 0.00 -1.02 0.00 0.00 32.46 29.40 2oi7 n ARG 259 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2oi7 s PHE 260 N -3.47 -0.07 -0.05 -1.55 5.36 -1.22 -0.04 117.98 116.94 2oi7 s PHE 260 Ca 0.46 0.18 -0.00 0.00 -0.96 0.00 0.00 56.93 56.61 2oi7 s PHE 260 Cb 0.39 0.02 0.02 0.00 -0.34 0.00 0.00 43.02 43.12 2oi7 s PHE 260 CO -0.16 -0.05 -0.02 -0.51 -1.46 0.00 0.00 175.22 173.03 2oi7 s ASP 261 N -0.01 1.14 -0.31 6.13 1.11 -0.91 -4.93 116.67 118.89 2oi7 s ASP 261 Ca -0.01 -0.10 0.01 0.00 0.18 0.00 0.00 52.55 52.64 2oi7 s ASP 261 Cb -0.01 -0.42 0.07 0.00 1.07 0.00 0.00 42.92 43.64 2oi7 s ASP 261 CO 0.00 -0.12 -0.01 -0.22 1.18 0.00 0.00 175.17 176.01 2oi7 s LEU 262 N 1.35 4.08 -0.73 1.23 2.96 -1.26 -0.57 118.68 125.74 2oi7 s LEU 262 Ca -0.04 -1.60 0.04 0.00 -0.22 0.00 0.00 54.13 52.31 2oi7 s LEU 262 Cb -0.13 -1.65 0.26 0.00 0.50 0.00 0.00 46.19 45.17 2oi7 s LEU 262 CO -0.02 -0.29 0.88 0.54 -1.32 0.00 0.00 176.35 176.14 2oi7 n ARG 263 N 4.47 2.90 0.00 1.98 1.74 0.11 -4.91 116.66 122.95 2oi7 n ARG 263 Ca -0.09 -4.65 0.00 0.00 -0.77 0.00 0.00 57.85 52.35 2oi7 n ARG 263 Cb 0.42 -2.31 0.00 0.00 -1.02 0.00 0.00 32.46 29.55 2oi7 n ARG 263 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2oi7 n GLY 264 N 1.00 -0.11 3.12 -0.13 0.00 -1.26 -1.20 105.19 106.61 2oi7 n GLY 264 Ca 0.29 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 2oi7 n GLY 264 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oi7 s THR 265 N -0.97 1.28 -0.12 2.61 2.01 -0.32 -4.94 115.64 115.18 2oi7 s THR 265 Ca 0.00 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.34 2oi7 s THR 265 Cb 0.00 -1.08 0.02 0.00 0.01 0.00 0.00 72.50 71.45 2oi7 s THR 265 CO 0.00 0.37 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.97 2oi7 s LEU 266 N -0.14 1.43 -0.17 4.42 2.96 -1.26 -1.03 118.68 124.89 2oi7 s LEU 266 Ca 0.01 -0.37 -0.06 0.00 -0.22 0.00 0.00 54.13 53.49 2oi7 s LEU 266 Cb -0.09 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.61 2oi7 s LEU 266 CO 0.01 -0.07 0.03 -0.89 -1.32 0.00 0.00 176.35 174.11 2oi7 s THR 267 N 1.46 4.55 0.17 3.68 2.01 -0.11 -5.01 115.64 122.39 2oi7 s THR 267 Ca 0.02 -0.12 0.02 0.00 0.31 0.00 0.00 61.69 61.91 2oi7 s THR 267 Cb -0.13 -3.03 -0.05 0.00 0.01 0.00 0.00 72.50 69.31 2oi7 s THR 267 CO -0.07 0.48 -0.02 -1.38 -0.69 0.00 0.00 174.62 172.95 2oi7 s HIS 268 N 0.25 1.23 0.00 4.92 -3.43 -1.26 0.72 115.29 117.71 2oi7 s HIS 268 Ca 0.02 -0.97 0.00 0.00 -0.80 0.00 0.00 55.06 53.31 2oi7 s HIS 268 Cb -0.13 -0.69 0.00 0.00 -1.43 0.00 0.00 32.58 30.33 2oi7 s HIS 268 CO 0.01 -0.16 0.00 0.41 -2.00 0.00 0.00 174.74 173.00 2oi7 n GLY 269 N -0.24 4.01 3.82 -1.38 0.00 -0.32 -4.92 105.19 106.16 2oi7 n GLY 269 Ca -0.07 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 43.59 2oi7 n GLY 269 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oi7 s ARG 270 N 2.41 4.24 -1.26 1.61 1.81 -1.26 -4.36 118.95 122.14 2oi7 s ARG 270 Ca 0.00 0.89 -0.01 0.00 -1.72 0.00 0.00 55.73 54.89 2oi7 s ARG 270 Cb 0.00 -2.78 0.00 0.00 -0.45 0.00 0.00 34.95 31.72 2oi7 s ARG 270 CO 0.00 0.33 0.85 -0.25 -0.68 0.00 0.00 175.30 175.55 2oi7 n ASP 271 N 0.49 -1.74 -4.72 0.23 8.00 -1.26 0.34 116.55 117.89 2oi7 n ASP 271 Ca -0.01 -0.72 -0.39 0.00 0.71 0.00 0.00 54.79 54.38 2oi7 n ASP 271 Cb 0.51 -4.56 -0.05 0.00 -0.02 0.00 0.00 41.12 37.00 2oi7 n ASP 271 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2oi7 s VAL 272 N -3.52 5.11 -0.20 2.53 1.01 -1.26 -3.45 120.40 120.62 2oi7 s VAL 272 Ca 0.03 1.23 -0.04 0.00 0.00 0.00 0.00 61.98 63.20 2oi7 s VAL 272 Cb -0.01 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 2oi7 s VAL 272 CO 0.77 0.28 -0.04 -1.61 0.00 0.00 0.00 175.10 174.50 2oi7 s GLU 273 N 0.78 3.48 -0.21 2.72 2.02 -0.03 -1.18 118.70 126.29 2oi7 s GLU 273 Ca 0.32 -0.59 0.01 0.00 0.02 0.00 0.00 54.97 54.74 2oi7 s GLU 273 Cb -0.17 -2.99 0.04 0.00 0.10 0.00 0.00 34.13 31.11 2oi7 s GLU 273 CO 0.14 -0.06 -0.13 0.42 0.02 0.00 0.00 175.26 175.65 2oi7 s ILE 274 N 1.15 1.87 0.24 -1.63 1.01 -0.08 0.19 121.20 123.95 2oi7 s ILE 274 Ca 0.02 -1.13 -0.04 0.00 0.00 0.00 0.00 60.65 59.50 2oi7 s ILE 274 Cb -0.15 -1.88 0.06 0.00 0.01 0.00 0.00 42.46 40.50 2oi7 s ILE 274 CO -0.00 0.22 0.27 -0.67 0.00 0.00 0.00 174.94 174.76 2oi7 n ASP 275 N 4.61 -0.55 -4.73 3.58 -0.08 -0.15 -1.60 116.55 117.63 2oi7 n ASP 275 Ca -0.16 -0.90 -0.34 0.00 -1.51 0.00 0.00 54.79 51.88 2oi7 n ASP 275 Cb 0.46 -0.23 0.08 0.00 2.34 0.00 0.00 41.12 43.78 2oi7 n ASP 275 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2oi7 s THR 276 N -1.56 2.50 -1.47 5.18 -4.23 -1.26 -3.99 115.64 110.80 2oi7 s THR 276 Ca 0.16 0.24 -0.09 0.00 -1.18 0.00 0.00 61.69 60.82 2oi7 s THR 276 Cb -0.01 -2.80 0.06 0.00 1.34 0.00 0.00 72.50 71.10 2oi7 s THR 276 CO 0.12 -0.13 0.85 0.59 -0.54 0.00 0.00 174.62 175.50 2oi7 n ASN 277 N -2.65 -3.34 -4.83 3.99 3.02 0.94 -1.49 115.26 110.89 2oi7 n ASN 277 Ca 0.13 -0.83 -0.36 0.00 -0.03 0.00 0.00 54.58 53.49 2oi7 n ASN 277 Cb 0.51 -3.78 -0.07 0.00 -0.61 0.00 0.00 39.78 35.82 2oi7 n ASN 277 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2oi7 s VAL 278 N -3.46 5.26 -0.12 2.41 1.01 -1.23 -2.66 120.40 121.62 2oi7 s VAL 278 Ca 0.44 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.56 2oi7 s VAL 278 Cb -0.22 -3.29 -0.00 0.00 0.00 0.00 0.00 36.38 32.87 2oi7 s VAL 278 CO 0.84 0.61 -0.20 -0.63 0.00 0.00 0.00 175.10 175.71 2oi7 s ILE 279 N -0.91 2.34 -0.21 2.22 1.01 0.08 -2.14 121.20 123.59 2oi7 s ILE 279 Ca 0.14 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.86 2oi7 s ILE 279 Cb -0.12 -1.93 0.01 0.00 0.01 0.00 0.00 42.46 40.43 2oi7 s ILE 279 CO 0.03 0.55 -0.09 -0.63 0.00 0.00 0.00 174.94 174.80 2oi7 s ILE 280 N 0.43 2.88 0.09 2.92 1.09 0.26 -1.06 121.20 127.82 2oi7 s ILE 280 Ca -0.15 -0.73 0.10 0.00 -1.10 0.00 0.00 60.65 58.76 2oi7 s ILE 280 Cb -0.17 -2.32 -0.04 0.00 -1.06 0.00 0.00 42.46 38.87 2oi7 s ILE 280 CO 0.06 0.41 -0.25 -1.61 -0.10 0.00 0.00 174.94 173.46 2oi7 s GLU 281 N 1.39 1.66 3.02 2.79 2.02 -0.10 0.10 118.70 129.57 2oi7 s GLU 281 Ca 0.04 -1.21 0.00 0.00 0.02 0.00 0.00 54.97 53.83 2oi7 s GLU 281 Cb -0.14 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.10 2oi7 s GLU 281 CO -0.06 0.48 0.00 0.41 0.02 0.00 0.00 175.26 176.11 2oi7 n GLY 282 N 1.25 0.04 3.61 -1.39 0.00 -0.34 -2.01 105.19 106.35 2oi7 n GLY 282 Ca -0.17 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 2oi7 n GLY 282 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2oi7 s ASN 283 N -4.00 6.37 -0.06 1.61 0.01 -1.26 -1.18 114.94 116.43 2oi7 s ASN 283 Ca 0.00 0.41 0.04 0.00 -0.71 0.00 0.00 52.86 52.60 2oi7 s ASN 283 Cb 0.00 -2.26 -0.00 0.00 0.41 0.00 0.00 41.25 39.40 2oi7 s ASN 283 CO 0.00 -0.27 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.44 2oi7 s VAL 284 N 2.24 1.63 -0.12 1.60 1.01 -0.19 -2.55 120.40 124.02 2oi7 s VAL 284 Ca 0.19 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.36 2oi7 s VAL 284 Cb -0.16 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 2oi7 s VAL 284 CO 0.10 0.46 -0.14 -0.89 0.00 0.00 0.00 175.10 174.63 2oi7 s THR 285 N 0.11 3.01 -0.10 3.92 2.01 -0.73 -0.93 115.64 122.93 2oi7 s THR 285 Ca -0.07 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.26 2oi7 s THR 285 Cb -0.13 -2.25 0.01 0.00 0.01 0.00 0.00 72.50 70.14 2oi7 s THR 285 CO 0.04 0.54 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.59 2oi7 s LEU 286 N 0.18 1.72 0.00 4.42 1.43 0.22 -0.69 118.68 125.95 2oi7 s LEU 286 Ca -0.08 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 52.57 2oi7 s LEU 286 Cb -0.15 -1.05 0.07 0.00 0.03 0.00 0.00 46.19 45.09 2oi7 s LEU 286 CO 0.05 0.03 0.28 0.61 0.23 0.00 0.00 176.35 177.54 2oi7 n GLY 287 N 4.08 -2.07 3.77 -3.19 0.00 0.58 -1.17 105.19 107.19 2oi7 n GLY 287 Ca -0.20 -1.54 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 2oi7 n GLY 287 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2oi7 s HIS 288 N -1.54 3.10 -1.58 1.61 0.09 -1.26 -3.59 115.29 112.11 2oi7 s HIS 288 Ca 0.17 1.53 -0.03 0.00 -0.00 0.00 0.00 55.06 56.74 2oi7 s HIS 288 Cb -0.01 -3.46 0.01 0.00 -0.00 0.00 0.00 32.58 29.12 2oi7 s HIS 288 CO 0.13 -1.40 0.31 0.54 -0.00 0.00 0.00 174.74 174.33 2oi7 n ARG 289 N 0.34 -3.34 -2.71 1.40 1.74 0.15 -0.10 116.66 114.14 2oi7 n ARG 289 Ca 0.03 0.89 -0.42 0.00 -0.77 0.00 0.00 57.85 57.58 2oi7 n ARG 289 Cb 0.45 -5.65 -0.03 0.00 -1.02 0.00 0.00 32.46 26.21 2oi7 n ARG 289 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2oi7 s VAL 290 N -3.06 4.84 -0.23 1.55 1.01 -1.24 -3.91 120.40 119.36 2oi7 s VAL 290 Ca 0.17 2.06 -0.05 0.00 0.00 0.00 0.00 61.98 64.15 2oi7 s VAL 290 Cb -0.08 -4.32 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 2oi7 s VAL 290 CO 0.21 0.17 0.01 -0.54 0.00 0.00 0.00 175.10 174.95 2oi7 s LYS 291 N 0.93 3.54 -0.20 2.72 1.02 -0.16 -0.85 119.74 126.75 2oi7 s LYS 291 Ca 0.52 -0.54 -0.02 0.00 0.02 0.00 0.00 55.97 55.94 2oi7 s LYS 291 Cb -0.21 -3.15 -0.00 0.00 -0.52 0.00 0.00 37.83 33.94 2oi7 s LYS 291 CO 0.28 -0.15 -0.09 0.42 -0.92 0.00 0.00 175.35 174.88 2oi7 s ILE 292 N 1.44 2.99 0.96 2.17 1.01 0.13 -0.36 121.20 129.55 2oi7 s ILE 292 Ca 0.05 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 2oi7 s ILE 292 Cb -0.15 -2.33 0.17 0.00 0.01 0.00 0.00 42.46 40.16 2oi7 s ILE 292 CO 0.01 0.46 1.10 -0.83 0.00 0.00 0.00 174.94 175.68 2oi7 s GLY 293 N 1.31 1.57 0.51 6.18 0.00 0.19 -0.97 107.32 116.10 2oi7 s GLY 293 Ca 0.04 -0.38 -0.22 0.00 0.00 0.00 0.00 44.72 44.16 2oi7 s GLY 293 CO -0.05 0.21 1.29 -1.08 0.00 0.00 0.00 173.10 173.47 2oi7 s THR 294 N -3.05 2.47 0.00 0.90 -1.32 -1.26 -3.45 115.64 109.94 2oi7 s THR 294 Ca 0.65 0.36 0.00 0.00 -1.21 0.00 0.00 61.69 61.49 2oi7 s THR 294 Cb -0.17 -3.18 0.00 0.00 -1.51 0.00 0.00 72.50 67.63 2oi7 s THR 294 CO 0.56 -0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.58 2oi7 n GLY 295 N 0.62 0.42 3.78 6.08 0.00 -0.56 -0.33 105.19 115.19 2oi7 n GLY 295 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 2oi7 n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi7 s VAL 297 N -1.60 1.58 -0.15 0.00 1.01 -0.48 -0.74 120.40 120.02 2oi7 s VAL 297 Ca 0.56 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2oi7 s VAL 297 Cb -0.23 -1.59 0.02 0.00 0.00 0.00 0.00 36.38 34.58 2oi7 s VAL 297 CO 0.29 0.30 -0.16 -0.63 0.00 0.00 0.00 175.10 174.90 2oi7 s ILE 298 N 1.45 1.69 -0.05 2.22 1.01 -0.22 -0.37 121.20 126.93 2oi7 s ILE 298 Ca 0.02 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 60.01 2oi7 s ILE 298 Cb -0.15 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 2oi7 s ILE 298 CO -0.09 0.48 -0.21 -0.75 0.00 0.00 0.00 174.94 174.37 2oi7 s LYS 299 N 1.39 2.09 -0.53 2.79 2.20 0.14 -0.92 119.74 126.90 2oi7 s LYS 299 Ca 0.04 -0.75 -0.06 0.00 -0.36 0.00 0.00 55.97 54.84 2oi7 s LYS 299 Cb -0.13 -1.81 0.01 0.00 -1.51 0.00 0.00 37.83 34.38 2oi7 s LYS 299 CO -0.10 0.32 0.35 0.09 -0.36 0.00 0.00 175.35 175.65 2oi7 n ASN 300 N 3.01 -2.57 -4.13 1.43 3.02 -0.85 -1.22 115.26 113.94 2oi7 n ASN 300 Ca -0.18 -0.61 -0.09 0.00 -0.03 0.00 0.00 54.58 53.68 2oi7 n ASN 300 Cb 0.52 -0.89 -0.10 0.00 -0.61 0.00 0.00 39.78 38.71 2oi7 n ASN 300 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2oi7 s SER 301 N -3.03 0.56 -0.14 6.41 0.01 -1.06 -1.60 113.70 114.85 2oi7 s SER 301 Ca 0.08 -1.08 0.02 0.00 1.31 0.00 0.00 55.95 56.27 2oi7 s SER 301 Cb -0.05 0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.41 2oi7 s SER 301 CO 0.52 -0.63 -0.20 -0.69 0.41 0.00 0.00 173.24 172.66 2oi7 s VAL 302 N -3.91 1.91 -0.17 3.43 1.01 -1.01 -1.77 120.40 119.89 2oi7 s VAL 302 Ca 0.15 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.26 2oi7 s VAL 302 Cb 0.07 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.75 2oi7 s VAL 302 CO -0.04 0.52 -0.18 -0.63 0.00 0.00 0.00 175.10 174.77 2oi7 s ILE 303 N 1.03 2.34 1.17 2.22 -1.09 0.13 -0.99 121.20 126.01 2oi7 s ILE 303 Ca -0.03 -0.86 -0.19 0.00 -2.23 0.00 0.00 60.65 57.34 2oi7 s ILE 303 Cb -0.15 -1.99 0.28 0.00 -1.58 0.00 0.00 42.46 39.03 2oi7 s ILE 303 CO -0.05 0.52 1.17 -0.83 -1.23 0.00 0.00 174.94 174.52 2oi7 s GLY 304 N 1.13 1.64 0.71 6.18 0.00 -0.25 -0.30 107.32 116.43 2oi7 s GLY 304 Ca 0.01 -1.10 -0.16 0.00 0.00 0.00 0.00 44.72 43.47 2oi7 s GLY 304 CO -0.07 -0.20 1.25 0.99 0.00 0.00 0.00 173.10 175.07 2oi7 s ASP 305 N -4.20 4.20 -1.58 1.64 1.01 -1.26 -3.16 116.67 113.32 2oi7 s ASP 305 Ca 0.73 2.51 0.00 0.00 0.71 0.00 0.00 52.55 56.49 2oi7 s ASP 305 Cb -0.07 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.26 2oi7 s ASP 305 CO 0.55 -2.27 0.00 0.47 0.21 0.00 0.00 175.17 174.14 2oi7 n ASP 306 N -2.48 -3.95 -4.79 0.27 9.92 0.85 -0.85 116.55 115.53 2oi7 n ASP 306 Ca 0.15 0.36 -0.36 0.00 -0.53 0.00 0.00 54.79 54.42 2oi7 n ASP 306 Cb 0.49 -3.62 -0.06 0.00 -0.64 0.00 0.00 41.12 37.29 2oi7 n ASP 306 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2oi7 s GLU 308 N -2.55 1.84 -0.47 0.00 2.02 -0.05 -0.99 118.70 118.51 2oi7 s GLU 308 Ca 0.56 -0.77 -0.15 0.00 0.02 0.00 0.00 54.97 54.63 2oi7 s GLU 308 Cb -0.17 -2.33 0.08 0.00 0.10 0.00 0.00 34.13 31.81 2oi7 s GLU 308 CO 0.21 -0.45 0.39 0.42 0.02 0.00 0.00 175.26 175.86 2oi7 s ILE 309 N 1.46 5.16 0.90 -1.63 -1.09 0.52 -2.14 121.20 124.37 2oi7 s ILE 309 Ca -0.01 -1.11 -0.11 0.00 -2.23 0.00 0.00 60.65 57.19 2oi7 s ILE 309 Cb -0.16 -4.10 0.13 0.00 -1.58 0.00 0.00 42.46 36.75 2oi7 s ILE 309 CO -0.08 -0.59 1.11 -0.44 -1.23 0.00 0.00 174.94 173.71 2oi7 s SER 310 N 2.61 3.27 0.47 3.58 0.01 0.42 0.55 113.70 124.61 2oi7 s SER 310 Ca 0.04 1.88 -0.20 0.00 1.31 0.00 0.00 55.95 58.98 2oi7 s SER 310 Cb -0.24 -2.45 -0.13 0.00 0.21 0.00 0.00 66.02 63.40 2oi7 s SER 310 CO 0.06 -2.83 0.28 -2.65 0.41 0.00 0.00 173.24 168.51 2oi7 n PRO 311 N -4.04 0.29 -3.78 12.44 -0.02 -1.26 -3.83 135.00 134.80 2oi7 n PRO 311 Ca 0.09 0.11 -0.33 0.00 -2.02 0.00 0.00 63.50 61.35 2oi7 n PRO 311 Cb 0.53 -1.31 0.03 0.00 -0.02 0.00 0.00 33.50 32.72 2oi7 n PRO 311 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2oi7 n TYR 312 N -1.24 -1.85 -5.08 6.00 4.02 0.55 -2.52 117.16 117.04 2oi7 n TYR 312 Ca 0.11 0.45 -0.29 0.00 -0.01 0.00 0.00 57.90 58.16 2oi7 n TYR 312 Cb 0.43 -3.15 -0.16 0.00 -0.02 0.00 0.00 39.34 36.44 2oi7 n TYR 312 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2oi7 s THR 313 N -3.35 1.76 -0.16 -0.72 2.01 -1.25 -1.96 115.64 111.97 2oi7 s THR 313 Ca 0.35 -0.93 -0.03 0.00 0.31 0.00 0.00 61.69 61.40 2oi7 s THR 313 Cb -0.16 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 2oi7 s THR 313 CO 0.90 0.50 -0.05 -0.69 -0.69 0.00 0.00 174.62 174.58 2oi7 s VAL 314 N -0.30 3.78 -0.09 3.82 1.01 0.24 -1.38 120.40 127.47 2oi7 s VAL 314 Ca 0.02 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 2oi7 s VAL 314 Cb -0.11 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.66 2oi7 s VAL 314 CO 0.01 0.49 0.00 -0.69 0.00 0.00 0.00 175.10 174.91 2oi7 s VAL 315 N 0.42 0.45 -0.06 2.92 1.01 0.50 0.10 120.40 125.74 2oi7 s VAL 315 Ca -0.05 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.93 2oi7 s VAL 315 Cb -0.14 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.60 2oi7 s VAL 315 CO 0.03 0.19 -0.09 -0.70 0.00 0.00 0.00 175.10 174.54 2oi7 s GLU 316 N 1.93 1.29 -1.60 2.72 2.12 0.02 0.25 118.70 125.44 2oi7 s GLU 316 Ca 0.04 -0.27 -0.11 0.00 0.36 0.00 0.00 54.97 54.99 2oi7 s GLU 316 Cb -0.13 -1.14 0.09 0.00 0.26 0.00 0.00 34.13 33.22 2oi7 s GLU 316 CO -0.06 -0.02 0.58 -0.25 -0.54 0.00 0.00 175.26 174.97 2oi7 n ASP 317 N 3.92 -1.83 -4.92 -1.70 8.00 -0.36 -2.53 116.55 117.13 2oi7 n ASP 317 Ca -0.24 -1.04 -0.20 0.00 0.71 0.00 0.00 54.79 54.02 2oi7 n ASP 317 Cb 0.51 -2.70 -0.02 0.00 -0.02 0.00 0.00 41.12 38.89 2oi7 n ASP 317 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2oi7 s ALA 318 N -3.62 4.15 -0.14 2.24 0.00 -1.25 -2.27 121.76 120.87 2oi7 s ALA 318 Ca 0.42 -1.70 -0.04 0.00 0.00 0.00 0.00 51.96 50.65 2oi7 s ALA 318 Cb -0.23 -1.32 0.05 0.00 0.00 0.00 0.00 23.12 21.62 2oi7 s ALA 318 CO 0.93 -0.14 0.07 1.21 0.00 0.00 0.00 175.76 177.82 2oi7 s ASN 319 N -4.15 2.12 -0.13 0.00 2.47 0.31 -2.39 114.94 113.17 2oi7 s ASN 319 Ca 0.47 -0.46 -0.00 0.00 0.42 0.00 0.00 52.86 53.29 2oi7 s ASN 319 Cb -0.07 -0.28 -0.02 0.00 -1.45 0.00 0.00 41.25 39.43 2oi7 s ASN 319 CO 0.29 -0.31 -0.13 -0.76 -3.72 0.00 0.00 177.10 172.47 2oi7 s LEU 320 N 2.09 2.72 0.00 3.21 1.02 -0.16 -0.23 118.68 127.34 2oi7 s LEU 320 Ca 0.02 -0.32 -0.14 0.00 0.02 0.00 0.00 54.13 53.72 2oi7 s LEU 320 Cb -0.15 -1.61 0.19 0.00 0.02 0.00 0.00 46.19 44.64 2oi7 s LEU 320 CO -0.07 0.17 1.01 0.00 0.02 0.00 0.00 176.35 177.48 2oi7 n ALA 321 N 3.48 -1.47 -1.76 4.21 0.00 -0.55 -1.09 120.51 123.33 2oi7 n ALA 321 Ca -0.18 -1.34 -0.36 0.00 0.00 0.00 0.00 53.44 51.56 2oi7 n ALA 321 Cb 0.53 -0.07 0.02 0.00 0.00 0.00 0.00 19.45 19.93 2oi7 n ALA 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oi7 s ALA 322 N -3.80 2.63 -1.24 0.00 0.00 -1.26 -3.75 121.76 114.33 2oi7 s ALA 322 Ca 0.58 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.52 2oi7 s ALA 322 Cb -0.02 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2oi7 s ALA 322 CO 0.42 -1.03 0.00 0.00 0.00 0.00 0.00 175.76 175.14 2oi7 n ALA 323 N -1.40 -0.28 -2.20 0.00 0.00 -0.03 -2.12 120.51 114.49 2oi7 n ALA 323 Ca 0.12 0.16 -0.30 0.00 0.00 0.00 0.00 53.44 53.42 2oi7 n ALA 323 Cb 0.50 -1.50 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 2oi7 n ALA 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oi7 s THR 325 N -2.34 0.10 0.03 0.00 -4.23 -0.68 -0.87 115.64 107.65 2oi7 s THR 325 Ca 0.51 0.24 0.04 0.00 -1.18 0.00 0.00 61.69 61.30 2oi7 s THR 325 Cb -0.10 -0.35 -0.02 0.00 1.34 0.00 0.00 72.50 73.37 2oi7 s THR 325 CO 0.31 0.17 -0.11 0.27 -0.54 0.00 0.00 174.62 174.71 2oi7 s ILE 326 N 2.08 0.89 0.00 2.99 -4.36 -0.91 -0.70 121.20 121.19 2oi7 s ILE 326 Ca 0.05 -0.92 0.00 0.00 -0.26 0.00 0.00 60.65 59.52 2oi7 s ILE 326 Cb -0.12 -0.83 0.00 0.00 1.25 0.00 0.00 42.46 42.76 2oi7 s ILE 326 CO -0.04 -0.07 0.00 0.61 0.24 0.00 0.00 174.94 175.68 2oi7 n GLY 327 N 1.93 -3.69 3.80 6.27 0.00 -0.06 -0.44 105.19 113.01 2oi7 n GLY 327 Ca -0.18 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.53 2oi7 n GLY 327 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2oi7 s PRO 328 N -0.85 1.89 -1.06 1.61 0.04 -1.26 -4.39 135.00 130.98 2oi7 s PRO 328 Ca 0.00 0.54 -0.06 0.00 0.04 0.00 0.00 61.00 61.52 2oi7 s PRO 328 Cb 0.00 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.64 2oi7 s PRO 328 CO 0.00 -1.74 0.92 1.19 0.04 0.00 0.00 177.00 177.42 2oi7 n PHE 329 N -3.49 -2.21 -3.96 0.56 3.72 -0.83 -3.65 117.46 107.59 2oi7 n PHE 329 Ca 0.07 0.80 -0.32 0.00 -0.05 0.00 0.00 57.45 57.95 2oi7 n PHE 329 Cb 0.57 -4.27 -0.05 0.00 -0.94 0.00 0.00 39.48 34.79 2oi7 n PHE 329 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2oi7 s ALA 330 N -3.26 3.85 -0.27 4.37 0.00 -1.25 -0.43 121.76 124.78 2oi7 s ALA 330 Ca 0.39 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 2oi7 s ALA 330 Cb -0.17 -1.75 0.08 0.00 0.00 0.00 0.00 23.12 21.28 2oi7 s ALA 330 CO 0.58 0.76 0.04 0.50 0.00 0.00 0.00 175.76 177.65 2oi7 s ARG 331 N -2.14 0.98 -0.29 0.00 3.00 -0.16 -0.60 118.95 119.74 2oi7 s ARG 331 Ca 0.29 -0.96 -0.10 0.00 -1.00 0.00 0.00 55.73 53.96 2oi7 s ARG 331 Cb -0.13 -2.26 -0.03 0.00 0.00 0.00 0.00 34.95 32.54 2oi7 s ARG 331 CO 0.21 -0.81 0.15 -0.51 0.00 0.00 0.00 175.30 174.34 2oi7 s LEU 332 N 1.56 3.93 0.52 -0.88 1.43 0.11 -1.82 118.68 123.55 2oi7 s LEU 332 Ca 0.03 -0.28 0.06 0.00 -1.03 0.00 0.00 54.13 52.91 2oi7 s LEU 332 Cb -0.18 -2.02 0.05 0.00 0.03 0.00 0.00 46.19 44.07 2oi7 s LEU 332 CO -0.15 -0.11 0.72 -0.13 0.23 0.00 0.00 176.35 176.91 2oi7 s ARG 333 N 1.66 2.49 -0.03 1.70 0.52 0.10 -0.80 118.95 124.60 2oi7 s ARG 333 Ca 0.06 -1.23 -0.38 0.00 -0.52 0.00 0.00 55.73 53.66 2oi7 s ARG 333 Cb -0.16 -2.62 -0.17 0.00 0.52 0.00 0.00 34.95 32.52 2oi7 s ARG 333 CO 0.07 -0.66 1.45 -2.30 0.02 0.00 0.00 175.30 173.88 2oi7 n PRO 334 N -2.18 1.10 0.00 3.54 -0.02 -1.05 -1.11 135.00 135.28 2oi7 n PRO 334 Ca 0.11 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2oi7 n PRO 334 Cb 0.60 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 2oi7 n PRO 334 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oi7 n GLY 335 N 2.99 2.99 3.68 -1.23 0.00 -0.96 -1.25 105.19 111.40 2oi7 n GLY 335 Ca 0.21 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.74 2oi7 n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi7 n ALA 336 N -1.17 0.79 -3.71 4.61 0.00 -0.27 -3.27 120.51 117.49 2oi7 n ALA 336 Ca 0.00 0.32 -0.19 0.00 0.00 0.00 0.00 53.44 53.57 2oi7 n ALA 336 Cb 0.00 -2.44 -0.17 0.00 0.00 0.00 0.00 19.45 16.84 2oi7 n ALA 336 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2oi7 s GLU 337 N 3.48 0.20 -0.05 0.00 2.12 0.29 -0.53 118.70 124.22 2oi7 s GLU 337 Ca 0.91 0.21 0.04 0.00 0.36 0.00 0.00 54.97 56.49 2oi7 s GLU 337 Cb -0.74 -0.60 -0.02 0.00 0.26 0.00 0.00 34.13 33.03 2oi7 s GLU 337 CO 0.51 -0.25 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.31 2oi7 s LEU 338 N 1.71 2.65 0.44 2.70 1.02 0.68 -0.55 118.68 127.32 2oi7 s LEU 338 Ca -0.00 -0.24 0.03 0.00 0.02 0.00 0.00 54.13 53.94 2oi7 s LEU 338 Cb -0.13 -1.53 0.01 0.00 0.02 0.00 0.00 46.19 44.56 2oi7 s LEU 338 CO -0.03 0.32 0.63 -0.76 0.02 0.00 0.00 176.35 176.53 2oi7 s LEU 339 N -0.61 3.64 -0.28 1.79 1.43 0.39 -1.48 118.68 123.56 2oi7 s LEU 339 Ca 0.09 -0.00 -0.43 0.00 -1.03 0.00 0.00 54.13 52.75 2oi7 s LEU 339 Cb -0.11 -2.92 -0.19 0.00 0.03 0.00 0.00 46.19 43.00 2oi7 s LEU 339 CO 0.01 -0.75 1.44 1.21 0.23 0.00 0.00 176.35 178.49 2oi7 n GLU 340 N -2.00 0.21 -0.71 1.70 2.13 -1.26 -1.53 120.64 119.18 2oi7 n GLU 340 Ca 0.03 0.08 0.00 0.00 0.66 0.00 0.00 57.16 57.93 2oi7 n GLU 340 Cb 0.58 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.69 2oi7 n GLU 340 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2oi7 n GLY 341 N 3.17 0.84 3.75 8.31 0.00 -0.90 -2.14 105.19 118.22 2oi7 n GLY 341 Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 2oi7 n GLY 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi7 s ALA 342 N -3.33 2.26 -0.02 4.61 0.00 -0.58 -3.92 121.76 120.78 2oi7 s ALA 342 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.59 2oi7 s ALA 342 Cb 0.00 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.77 2oi7 s ALA 342 CO 0.00 -1.63 0.02 -1.58 0.00 0.00 0.00 175.76 172.58 2oi7 s HIS 343 N -2.31 0.03 -0.12 0.00 2.46 -0.49 -1.68 115.29 113.19 2oi7 s HIS 343 Ca 0.69 0.10 0.02 0.00 0.47 0.00 0.00 55.06 56.34 2oi7 s HIS 343 Cb -0.23 -0.20 0.01 0.00 -0.13 0.00 0.00 32.58 32.04 2oi7 s HIS 343 CO 0.45 -0.07 -0.18 0.08 -2.47 0.00 0.00 174.74 172.55 2oi7 s VAL 344 N 0.87 1.74 0.00 0.89 1.01 0.12 -1.01 120.40 124.01 2oi7 s VAL 344 Ca -0.07 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2oi7 s VAL 344 Cb -0.10 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.72 2oi7 s VAL 344 CO -0.02 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.17 2oi7 n GLY 345 N 4.08 0.29 3.84 4.51 0.00 0.21 -0.88 105.19 117.24 2oi7 n GLY 345 Ca -0.19 -1.61 -0.34 0.00 0.00 0.00 0.00 46.02 43.87 2oi7 n GLY 345 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oi7 s ASN 346 N -1.00 6.86 -1.22 1.61 6.03 -0.72 -3.74 114.94 122.76 2oi7 s ASN 346 Ca 0.00 1.20 -0.07 0.00 -1.03 0.00 0.00 52.86 52.96 2oi7 s ASN 346 Cb 0.00 -2.34 0.01 0.00 -3.03 0.00 0.00 41.25 35.89 2oi7 s ASN 346 CO 0.00 -0.01 1.06 0.49 -2.03 0.00 0.00 177.10 176.61 2oi7 n PHE 347 N 0.40 -2.55 -5.21 1.54 3.72 0.43 -2.49 117.46 113.29 2oi7 n PHE 347 Ca -0.02 0.92 -0.32 0.00 -0.05 0.00 0.00 57.45 57.99 2oi7 n PHE 347 Cb 0.52 -4.72 -0.17 0.00 -0.94 0.00 0.00 39.48 34.18 2oi7 n PHE 347 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2oi7 s VAL 348 N -3.30 2.14 -0.03 -4.37 1.01 -1.24 -2.56 120.40 112.05 2oi7 s VAL 348 Ca 0.46 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.48 2oi7 s VAL 348 Cb -0.20 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 2oi7 s VAL 348 CO 0.67 0.56 -0.20 -0.70 0.00 0.00 0.00 175.10 175.43 2oi7 s GLU 349 N 0.09 2.29 -0.07 2.72 2.12 -0.03 -0.99 118.70 124.83 2oi7 s GLU 349 Ca -0.11 -0.82 0.01 0.00 0.36 0.00 0.00 54.97 54.42 2oi7 s GLU 349 Cb -0.16 -2.21 0.02 0.00 0.26 0.00 0.00 34.13 32.04 2oi7 s GLU 349 CO 0.06 0.59 -0.09 -1.64 -0.54 0.00 0.00 175.26 173.64 2oi7 s MET 350 N -0.69 1.46 -0.06 4.30 -1.94 -0.75 -0.86 119.30 120.75 2oi7 s MET 350 Ca 0.11 -0.31 0.01 0.00 -1.71 0.00 0.00 55.69 53.79 2oi7 s MET 350 Cb -0.10 -1.32 0.02 0.00 2.01 0.00 0.00 34.83 35.44 2oi7 s MET 350 CO -0.00 -0.06 -0.06 0.21 -0.01 0.00 0.00 175.02 175.10 2oi7 s LYS 351 N 0.96 1.05 -1.50 2.03 2.20 0.08 0.03 119.74 124.58 2oi7 s LYS 351 Ca -0.09 -0.15 -0.04 0.00 -0.36 0.00 0.00 55.97 55.33 2oi7 s LYS 351 Cb -0.15 -1.08 0.01 0.00 -1.51 0.00 0.00 37.83 35.10 2oi7 s LYS 351 CO 0.00 -0.13 0.11 1.63 -0.36 0.00 0.00 175.35 176.60 2oi7 n LYS 352 N 4.33 -1.01 -4.14 4.03 5.02 -0.38 -1.69 118.16 124.31 2oi7 n LYS 352 Ca -0.19 0.11 -0.15 0.00 -2.02 0.00 0.00 58.31 56.06 2oi7 n LYS 352 Cb 0.51 -3.52 -0.11 0.00 -0.02 0.00 0.00 35.03 31.89 2oi7 n LYS 352 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2oi7 s ALA 353 N -4.26 0.97 -0.09 7.82 0.00 -1.20 -2.27 121.76 122.72 2oi7 s ALA 353 Ca 0.06 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 51.00 2oi7 s ALA 353 Cb -0.03 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.11 2oi7 s ALA 353 CO 0.99 -0.01 -0.18 0.50 0.00 0.00 0.00 175.76 177.07 2oi7 s ARG 354 N -2.32 2.35 -0.19 0.00 3.52 -0.39 -0.55 118.95 121.36 2oi7 s ARG 354 Ca 0.00 -0.63 -0.03 0.00 -0.13 0.00 0.00 55.73 54.94 2oi7 s ARG 354 Cb -0.06 -1.87 -0.01 0.00 -1.56 0.00 0.00 34.95 31.46 2oi7 s ARG 354 CO 0.00 0.07 -0.07 -1.17 -0.81 0.00 0.00 175.30 173.32 2oi7 s LEU 355 N 0.60 2.84 1.24 -0.88 2.96 0.28 -1.33 118.68 124.41 2oi7 s LEU 355 Ca -0.15 -0.37 -0.19 0.00 -0.22 0.00 0.00 54.13 53.21 2oi7 s LEU 355 Cb -0.16 -1.70 0.30 0.00 0.50 0.00 0.00 46.19 45.12 2oi7 s LEU 355 CO 0.05 0.03 1.04 -0.83 -1.32 0.00 0.00 176.35 175.32 2oi7 s GLY 356 N 1.15 1.52 0.20 7.98 0.00 -0.45 -0.46 107.32 117.27 2oi7 s GLY 356 Ca 0.02 -0.74 -0.32 0.00 0.00 0.00 0.00 44.72 43.68 2oi7 s GLY 356 CO -0.02 0.13 1.65 0.54 0.00 0.00 0.00 173.10 175.41 2oi7 s LYS 357 N -5.13 4.16 0.00 2.90 1.02 -1.26 -2.14 119.74 119.29 2oi7 s LYS 357 Ca 0.69 2.51 0.00 0.00 0.02 0.00 0.00 55.97 59.20 2oi7 s LYS 357 Cb -0.14 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 2oi7 s LYS 357 CO 0.58 -0.68 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 2oi7 n GLY 358 N 3.64 0.32 3.88 -3.33 0.00 -0.91 -0.22 105.19 108.57 2oi7 n GLY 358 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2oi7 n GLY 358 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2oi7 s SER 359 N -2.22 6.26 -0.10 1.61 0.01 -0.91 -4.23 113.70 114.12 2oi7 s SER 359 Ca 0.00 1.33 -0.14 0.00 1.31 0.00 0.00 55.95 58.45 2oi7 s SER 359 Cb 0.00 -2.43 0.03 0.00 0.21 0.00 0.00 66.02 63.84 2oi7 s SER 359 CO 0.00 -0.79 0.36 -1.59 0.41 0.00 0.00 173.24 171.63 2oi7 s LYS 360 N -5.01 0.51 -0.37 12.44 -2.85 -0.11 -1.39 119.74 122.96 2oi7 s LYS 360 Ca 0.54 0.29 0.00 0.00 -1.00 0.00 0.00 55.97 55.80 2oi7 s LYS 360 Cb -0.11 0.24 0.13 0.00 -2.06 0.00 0.00 37.83 36.03 2oi7 s LYS 360 CO 0.51 -0.10 0.19 0.00 0.10 0.00 0.00 175.35 176.05 2oi7 s ALA 361 N -0.29 1.48 -0.65 0.59 0.00 -0.18 -0.42 121.76 122.28 2oi7 s ALA 361 Ca -0.04 -2.04 0.24 0.00 0.00 0.00 0.00 51.96 50.12 2oi7 s ALA 361 Cb -0.03 -1.70 0.41 0.00 0.00 0.00 0.00 23.12 21.80 2oi7 s ALA 361 CO 0.02 -1.97 1.38 0.41 0.00 0.00 0.00 175.76 175.60 2oi7 n GLY 362 N 4.10 -1.46 3.60 0.00 0.00 -1.26 0.66 105.19 110.84 2oi7 n GLY 362 Ca 0.07 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 2oi7 n GLY 362 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2oi7 s HIS 363 N -3.16 -0.75 -0.99 1.61 0.09 -1.26 -1.76 115.29 109.08 2oi7 s HIS 363 Ca 0.07 1.71 -0.25 0.00 -0.00 0.00 0.00 55.06 56.60 2oi7 s HIS 363 Cb 0.13 0.31 0.03 0.00 -0.00 0.00 0.00 32.58 33.05 2oi7 s HIS 363 CO 0.70 -0.43 0.46 1.28 -0.00 0.00 0.00 174.74 176.76 2oi7 n LEU 364 N 2.25 -0.16 -4.14 0.89 4.77 -1.04 -2.10 117.00 117.48 2oi7 n LEU 364 Ca -0.15 -1.03 -0.19 0.00 -0.03 0.00 0.00 56.01 54.61 2oi7 n LEU 364 Cb 0.56 -1.24 -0.13 0.00 -2.33 0.00 0.00 43.42 40.28 2oi7 n LEU 364 CO 0.08 0.62 -0.46 -0.89 -1.33 0.00 0.00 177.39 175.41 2oi7 s THR 365 N -3.88 1.06 -0.15 -5.08 2.01 -1.06 -1.88 115.64 106.66 2oi7 s THR 365 Ca 0.34 -1.05 0.02 0.00 0.31 0.00 0.00 61.69 61.31 2oi7 s THR 365 Cb -0.19 -0.98 0.01 0.00 0.01 0.00 0.00 72.50 71.35 2oi7 s THR 365 CO 0.77 -0.07 -0.19 -0.47 -0.69 0.00 0.00 174.62 173.97 2oi7 s TYR 366 N -0.96 2.53 -0.25 4.92 5.04 -0.92 -0.85 117.35 126.85 2oi7 s TYR 366 Ca 0.00 -1.34 0.02 0.00 -2.44 0.00 0.00 57.07 53.31 2oi7 s TYR 366 Cb -0.08 -1.75 0.06 0.00 0.35 0.00 0.00 41.96 40.53 2oi7 s TYR 366 CO 0.01 -0.65 -0.10 -0.51 -1.34 0.00 0.00 175.55 172.96 2oi7 s LEU 367 N 1.05 3.20 -0.02 6.97 1.43 -0.04 -1.73 118.68 129.54 2oi7 s LEU 367 Ca -0.02 -1.33 0.06 0.00 -1.03 0.00 0.00 54.13 51.81 2oi7 s LEU 367 Cb -0.14 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 2oi7 s LEU 367 CO -0.06 -0.20 -0.20 -0.83 0.23 0.00 0.00 176.35 175.30 2oi7 s GLY 368 N 1.18 0.98 -0.97 -3.19 0.00 -1.26 -0.74 107.32 103.32 2oi7 s GLY 368 Ca -0.08 -0.86 -0.13 0.00 0.00 0.00 0.00 44.72 43.66 2oi7 s GLY 368 CO -0.05 -0.69 0.64 1.22 0.00 0.00 0.00 173.10 174.21 2oi7 n ASP 369 N 2.63 -4.76 -3.83 1.64 8.00 -0.68 -4.61 116.55 114.93 2oi7 n ASP 369 Ca -0.15 -1.05 -0.10 0.00 0.71 0.00 0.00 54.79 54.20 2oi7 n ASP 369 Cb 0.53 -1.90 -0.08 0.00 -0.02 0.00 0.00 41.12 39.65 2oi7 n ASP 369 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2oi7 s ALA 370 N -3.19 -0.40 -0.26 2.24 0.00 -1.16 -0.82 121.76 118.17 2oi7 s ALA 370 Ca 0.19 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.88 2oi7 s ALA 370 Cb -0.10 0.32 0.07 0.00 0.00 0.00 0.00 23.12 23.41 2oi7 s ALA 370 CO 0.91 -0.39 -0.01 -1.21 0.00 0.00 0.00 175.76 175.06 2oi7 s GLU 371 N -2.75 1.41 -0.24 0.00 2.02 0.64 -1.27 118.70 118.52 2oi7 s GLU 371 Ca -0.04 -1.10 -0.09 0.00 0.02 0.00 0.00 54.97 53.76 2oi7 s GLU 371 Cb -0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 2oi7 s GLU 371 CO -0.05 -0.71 0.12 0.42 0.02 0.00 0.00 175.26 175.06 2oi7 s ILE 372 N 1.38 4.96 0.00 -1.63 -1.09 -0.44 -0.39 121.20 123.99 2oi7 s ILE 372 Ca -0.01 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.45 2oi7 s ILE 372 Cb -0.19 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 2oi7 s ILE 372 CO -0.10 0.35 0.00 0.61 -1.23 0.00 0.00 174.94 174.58 2oi7 n GLY 373 N 4.43 -2.97 3.89 6.18 0.00 0.15 -1.34 105.19 115.52 2oi7 n GLY 373 Ca -0.15 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 2oi7 n GLY 373 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2oi7 s ASP 374 N -1.75 6.49 -1.49 1.61 1.01 -1.26 -2.99 116.67 118.29 2oi7 s ASP 374 Ca 0.00 0.93 -0.07 0.00 0.71 0.00 0.00 52.55 54.12 2oi7 s ASP 374 Cb 0.00 -2.24 0.02 0.00 1.01 0.00 0.00 42.92 41.71 2oi7 s ASP 374 CO 0.00 -0.29 0.74 -3.20 0.21 0.00 0.00 175.17 172.63 2oi7 n ASN 375 N -1.08 -5.83 -4.88 0.27 5.15 0.69 -1.51 115.26 108.08 2oi7 n ASN 375 Ca 0.00 -0.38 -0.36 0.00 -0.60 0.00 0.00 54.58 53.25 2oi7 n ASN 375 Cb 0.54 -4.69 -0.06 0.00 -0.53 0.00 0.00 39.78 35.05 2oi7 n ASN 375 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2oi7 s VAL 376 N -3.19 5.42 -0.26 3.44 1.01 -1.26 -3.63 120.40 121.94 2oi7 s VAL 376 Ca 0.40 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.52 2oi7 s VAL 376 Cb -0.18 -3.49 0.04 0.00 0.00 0.00 0.00 36.38 32.75 2oi7 s VAL 376 CO 0.49 0.49 -0.07 0.21 0.00 0.00 0.00 175.10 176.23 2oi7 s ASN 377 N -1.39 4.40 -0.48 3.32 3.84 -0.12 -0.93 114.94 123.58 2oi7 s ASN 377 Ca 0.21 -1.07 -0.20 0.00 0.21 0.00 0.00 52.86 52.01 2oi7 s ASN 377 Cb -0.13 -1.64 0.04 0.00 -0.55 0.00 0.00 41.25 38.97 2oi7 s ASN 377 CO 0.11 -0.17 0.65 -0.63 -2.79 0.00 0.00 177.10 174.28 2oi7 s ILE 378 N 1.26 4.82 0.73 -5.21 -1.09 0.43 -0.83 121.20 121.30 2oi7 s ILE 378 Ca -0.03 -0.16 -0.15 0.00 -2.23 0.00 0.00 60.65 58.08 2oi7 s ILE 378 Cb -0.18 -4.27 0.04 0.00 -1.58 0.00 0.00 42.46 36.47 2oi7 s ILE 378 CO -0.04 -0.73 1.21 -0.83 -1.23 0.00 0.00 174.94 173.32 2oi7 s GLY 379 N 2.38 2.38 0.53 6.18 0.00 0.58 -4.21 107.32 115.16 2oi7 s GLY 379 Ca 0.20 0.90 -0.22 0.00 0.00 0.00 0.00 44.72 45.60 2oi7 s GLY 379 CO 0.16 1.31 1.36 0.00 0.00 0.00 0.00 173.10 175.92 2oi7 n ALA 380 N -2.68 1.60 -0.66 3.20 0.00 -1.26 -2.62 120.51 118.09 2oi7 n ALA 380 Ca 0.14 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2oi7 n ALA 380 Cb 0.50 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.60 2oi7 n ALA 380 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oi7 n GLY 381 N 0.75 1.04 3.76 0.00 0.00 -0.79 0.62 105.19 110.56 2oi7 n GLY 381 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2oi7 n GLY 381 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oi7 s THR 382 N -3.42 3.26 -0.01 2.61 2.01 -1.08 -3.93 115.64 115.10 2oi7 s THR 382 Ca 0.00 1.20 0.01 0.00 0.31 0.00 0.00 61.69 63.21 2oi7 s THR 382 Cb 0.00 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.75 2oi7 s THR 382 CO 0.00 0.26 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.53 2oi7 s ILE 383 N -0.81 0.25 -0.34 1.82 1.01 -0.15 -2.17 121.20 120.82 2oi7 s ILE 383 Ca 0.49 -0.11 -0.17 0.00 0.00 0.00 0.00 60.65 60.86 2oi7 s ILE 383 Cb -0.35 -0.23 -0.01 0.00 0.01 0.00 0.00 42.46 41.89 2oi7 s ILE 383 CO 0.43 0.08 0.44 0.42 0.00 0.00 0.00 174.94 176.31 2oi7 s THR 384 N 0.06 5.10 -1.03 2.92 -4.23 -0.71 -1.38 115.64 116.38 2oi7 s THR 384 Ca -0.00 0.25 -0.21 0.00 -1.18 0.00 0.00 61.69 60.54 2oi7 s THR 384 Cb -0.03 -3.88 0.08 0.00 1.34 0.00 0.00 72.50 70.01 2oi7 s THR 384 CO -0.00 -0.12 1.38 0.00 -0.54 0.00 0.00 174.62 175.33 2oi7 n ASN 386 N 8.03 1.25 -4.22 0.00 0.23 -1.26 -1.72 115.26 117.57 2oi7 n ASN 386 Ca 0.32 -1.09 -0.33 0.00 -0.53 0.00 0.00 54.58 52.95 2oi7 n ASN 386 Cb 0.50 0.79 -0.16 0.00 -2.08 0.00 0.00 39.78 38.83 2oi7 n ASN 386 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 2oi7 s TYR 387 N -2.85 2.77 -1.87 -2.53 5.04 -1.26 -0.06 117.35 116.60 2oi7 s TYR 387 Ca 0.11 -1.20 0.18 0.00 -2.44 0.00 0.00 57.07 53.72 2oi7 s TYR 387 Cb 0.17 -1.89 0.33 0.00 0.35 0.00 0.00 41.96 40.92 2oi7 s TYR 387 CO 0.77 -0.57 1.26 -0.40 -1.34 0.00 0.00 175.55 175.27 2oi7 n ASP 388 N 4.20 3.05 0.00 4.32 5.75 -1.02 -4.94 116.55 127.91 2oi7 n ASP 388 Ca -0.20 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 2oi7 n ASP 388 Cb 0.51 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 2oi7 n ASP 388 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2oi7 n GLY 389 N 1.09 2.15 1.96 6.12 0.00 -1.26 -4.86 105.19 110.39 2oi7 n GLY 389 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2oi7 n GLY 389 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi7 n ALA 390 N -0.83 3.00 -2.29 4.61 0.00 -1.26 -5.13 120.51 118.61 2oi7 n ALA 390 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 2oi7 n ALA 390 Cb 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.44 2oi7 n ALA 390 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2oi7 s ASN 391 N -5.01 5.07 -0.06 0.00 -0.87 -1.26 -5.14 114.94 107.67 2oi7 s ASN 391 Ca 0.00 -0.70 0.02 0.00 -1.57 0.00 0.00 52.86 50.61 2oi7 s ASN 391 Cb 0.00 -0.65 0.01 0.00 -0.02 0.00 0.00 41.25 40.59 2oi7 s ASN 391 CO 0.00 -0.58 -0.13 -0.54 -2.57 0.00 0.00 177.10 173.28 2oi7 s LYS 392 N -4.09 1.70 0.16 -0.60 1.02 -1.25 -2.42 119.74 114.26 2oi7 s LYS 392 Ca 0.46 -0.44 0.09 0.00 0.02 0.00 0.00 55.97 56.11 2oi7 s LYS 392 Cb -0.04 -1.41 -0.04 0.00 -0.52 0.00 0.00 37.83 35.82 2oi7 s LYS 392 CO 0.27 0.06 -0.14 -0.06 -0.92 0.00 0.00 175.35 174.56 2oi7 s PHE 393 N 0.57 2.57 0.27 3.18 0.40 0.92 -5.00 117.98 120.90 2oi7 s PHE 393 Ca -0.13 -0.24 -0.09 0.00 -0.60 0.00 0.00 56.93 55.87 2oi7 s PHE 393 Cb -0.15 -1.30 -0.07 0.00 0.51 0.00 0.00 43.02 42.01 2oi7 s PHE 393 CO 0.04 0.47 0.58 0.21 0.70 0.00 0.00 175.22 177.22 2oi7 s LYS 394 N -2.55 3.77 -0.07 0.44 2.20 -1.26 -4.52 119.74 117.75 2oi7 s LYS 394 Ca 0.22 0.25 0.03 0.00 -0.36 0.00 0.00 55.97 56.11 2oi7 s LYS 394 Cb -0.09 -2.61 -0.02 0.00 -1.51 0.00 0.00 37.83 33.60 2oi7 s LYS 394 CO 0.13 0.24 -0.16 0.99 -0.36 0.00 0.00 175.35 176.19 2oi7 s THR 395 N -1.96 2.90 -0.06 3.43 2.01 -0.00 -3.25 115.64 118.71 2oi7 s THR 395 Ca 0.47 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.73 2oi7 s THR 395 Cb -0.11 -2.14 0.01 0.00 0.01 0.00 0.00 72.50 70.27 2oi7 s THR 395 CO 0.24 0.57 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.97 2oi7 s ILE 396 N -0.44 1.28 -0.09 1.82 1.01 -0.40 -0.26 121.20 124.11 2oi7 s ILE 396 Ca 0.05 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.12 2oi7 s ILE 396 Cb -0.12 -1.14 0.02 0.00 0.01 0.00 0.00 42.46 41.23 2oi7 s ILE 396 CO 0.02 0.38 -0.07 -0.63 0.00 0.00 0.00 174.94 174.64 2oi7 s ILE 397 N 0.48 0.93 0.29 2.92 1.01 0.47 -0.35 121.20 126.95 2oi7 s ILE 397 Ca -0.13 -0.26 -0.05 0.00 0.00 0.00 0.00 60.65 60.22 2oi7 s ILE 397 Cb -0.15 -0.94 0.07 0.00 0.01 0.00 0.00 42.46 41.45 2oi7 s ILE 397 CO 0.04 0.34 0.29 0.61 0.00 0.00 0.00 174.94 176.22 2oi7 n GLY 398 N 4.71 -2.18 3.79 6.18 0.00 -0.09 0.31 105.19 117.91 2oi7 n GLY 398 Ca -0.14 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 2oi7 n GLY 398 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2oi7 s ASP 399 N -2.23 4.35 -1.00 1.61 1.01 -1.26 -3.76 116.67 115.38 2oi7 s ASP 399 Ca 0.18 1.38 -0.04 0.00 0.71 0.00 0.00 52.55 54.78 2oi7 s ASP 399 Cb -0.01 -2.12 0.03 0.00 1.01 0.00 0.00 42.92 41.83 2oi7 s ASP 399 CO 0.13 -2.07 0.21 0.47 0.21 0.00 0.00 175.17 174.13 2oi7 n ASP 400 N -3.50 -3.34 -4.80 0.27 8.00 -0.57 -0.21 116.55 112.40 2oi7 n ASP 400 Ca 0.07 -0.03 -0.38 0.00 0.71 0.00 0.00 54.79 55.17 2oi7 n ASP 400 Cb 0.56 -2.83 -0.06 0.00 -0.02 0.00 0.00 41.12 38.76 2oi7 n ASP 400 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2oi7 s VAL 401 N -2.66 5.15 -0.31 2.53 1.01 -1.25 -3.46 120.40 121.40 2oi7 s VAL 401 Ca 0.18 0.75 -0.05 0.00 0.00 0.00 0.00 61.98 62.87 2oi7 s VAL 401 Cb -0.10 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.63 2oi7 s VAL 401 CO 0.22 0.50 0.06 0.12 0.00 0.00 0.00 175.10 176.00 2oi7 s PHE 402 N -0.50 3.23 -0.34 5.22 5.36 -0.79 -0.94 117.98 129.21 2oi7 s PHE 402 Ca 0.22 -1.51 -0.14 0.00 -0.96 0.00 0.00 56.93 54.55 2oi7 s PHE 402 Cb -0.15 -2.21 -0.01 0.00 -0.34 0.00 0.00 43.02 40.31 2oi7 s PHE 402 CO 0.10 -0.73 0.28 0.08 -1.46 0.00 0.00 175.22 173.49 2oi7 s VAL 403 N 1.37 5.25 0.93 3.12 1.01 -0.01 -0.97 120.40 131.10 2oi7 s VAL 403 Ca -0.02 -0.16 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 2oi7 s VAL 403 Cb -0.19 -3.76 0.14 0.00 0.00 0.00 0.00 36.38 32.57 2oi7 s VAL 403 CO 0.01 -0.05 1.06 0.61 0.00 0.00 0.00 175.10 176.73 2oi7 n GLY 404 N 5.06 -0.64 3.72 4.51 0.00 0.44 -0.31 105.19 117.99 2oi7 n GLY 404 Ca -0.11 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 2oi7 n GLY 404 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2oi7 n SER 405 N -3.96 2.30 -3.37 1.61 7.64 -1.26 -3.22 113.62 113.36 2oi7 n SER 405 Ca 0.11 0.92 -0.24 0.00 1.01 0.00 0.00 58.87 60.67 2oi7 n SER 405 Cb 0.52 -1.55 0.04 0.00 -1.01 0.00 0.00 64.21 62.22 2oi7 n SER 405 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2oi7 n ASP 406 N -1.22 -5.79 -4.85 6.43 2.03 0.20 -0.32 116.55 113.03 2oi7 n ASP 406 Ca 0.12 -0.45 -0.37 0.00 0.52 0.00 0.00 54.79 54.61 2oi7 n ASP 406 Cb 0.46 -4.64 -0.06 0.00 -0.72 0.00 0.00 41.12 36.16 2oi7 n ASP 406 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2oi7 s THR 407 N -3.22 5.09 -0.15 5.18 2.01 -1.20 -3.72 115.64 119.65 2oi7 s THR 407 Ca 0.46 0.69 0.02 0.00 0.31 0.00 0.00 61.69 63.16 2oi7 s THR 407 Cb -0.21 -3.66 0.01 0.00 0.01 0.00 0.00 72.50 68.64 2oi7 s THR 407 CO 0.57 0.52 -0.19 0.00 -0.69 0.00 0.00 174.62 174.83 2oi7 s GLN 408 N -1.25 3.09 -0.35 4.92 -2.07 -0.56 -0.97 119.66 122.47 2oi7 s GLN 408 Ca 0.25 -0.82 -0.13 0.00 -1.82 0.00 0.00 55.36 52.85 2oi7 s GLN 408 Cb -0.16 -2.51 -0.01 0.00 -1.09 0.00 0.00 33.01 29.24 2oi7 s GLN 408 CO 0.13 -0.02 0.23 -0.51 -1.32 0.00 0.00 175.29 173.81 2oi7 s LEU 409 N 0.85 4.57 -0.91 2.60 1.43 -0.48 -1.40 118.68 125.35 2oi7 s LEU 409 Ca -0.06 -0.56 -0.20 0.00 -1.03 0.00 0.00 54.13 52.29 2oi7 s LEU 409 Cb -0.15 -2.11 0.11 0.00 0.03 0.00 0.00 46.19 44.07 2oi7 s LEU 409 CO -0.02 -0.28 1.14 -0.69 0.23 0.00 0.00 176.35 176.74 2oi7 s VAL 410 N 1.69 4.59 0.76 -1.59 1.01 0.38 -0.14 120.40 127.10 2oi7 s VAL 410 Ca 0.05 -1.33 -0.14 0.00 0.00 0.00 0.00 61.98 60.56 2oi7 s VAL 410 Cb -0.18 -4.80 0.06 0.00 0.00 0.00 0.00 36.38 31.46 2oi7 s VAL 410 CO 0.09 -1.55 1.21 0.00 0.00 0.00 0.00 175.10 174.86 2oi7 s ALA 411 N 3.11 2.00 0.13 5.51 0.00 -0.70 -4.30 121.76 127.52 2oi7 s ALA 411 Ca 0.33 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 52.87 2oi7 s ALA 411 Cb -0.06 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.51 2oi7 s ALA 411 CO -0.07 -2.06 1.02 -1.25 0.00 0.00 0.00 175.76 173.40 2oi7 s PRO 412 N -3.99 4.65 -0.04 0.00 0.04 -1.26 -4.82 135.00 129.57 2oi7 s PRO 412 Ca 0.74 1.56 -0.24 0.00 0.04 0.00 0.00 61.00 63.11 2oi7 s PRO 412 Cb -0.29 -3.34 0.05 0.00 0.04 0.00 0.00 34.50 30.96 2oi7 s PRO 412 CO 0.48 0.14 0.52 0.54 0.04 0.00 0.00 177.00 178.72 2oi7 s VAL 413 N -0.03 0.02 -0.05 -0.36 0.11 -1.20 -4.92 120.40 113.97 2oi7 s VAL 413 Ca 0.48 -0.20 0.05 0.00 -2.93 0.00 0.00 61.98 59.39 2oi7 s VAL 413 Cb -0.26 -0.84 -0.01 0.00 -1.53 0.00 0.00 36.38 33.75 2oi7 s VAL 413 CO 0.32 -0.11 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.88 2oi7 s THR 414 N -1.21 1.75 -0.30 5.04 2.01 -1.26 -1.28 115.64 120.38 2oi7 s THR 414 Ca -0.12 -0.89 -0.00 0.00 0.31 0.00 0.00 61.69 60.99 2oi7 s THR 414 Cb -0.02 -1.49 0.06 0.00 0.01 0.00 0.00 72.50 71.06 2oi7 s THR 414 CO 0.07 0.49 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.79 2oi7 s VAL 415 N -0.02 2.74 0.65 3.82 1.01 0.52 -1.01 120.40 128.11 2oi7 s VAL 415 Ca -0.05 -1.57 -0.17 0.00 0.00 0.00 0.00 61.98 60.19 2oi7 s VAL 415 Cb -0.13 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 2oi7 s VAL 415 CO 0.03 -0.16 0.90 0.61 0.00 0.00 0.00 175.10 176.48 2oi7 n GLY 416 N 4.54 -0.54 3.73 4.51 0.00 0.56 -0.91 105.19 117.09 2oi7 n GLY 416 Ca -0.11 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 2oi7 n GLY 416 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2oi7 n LYS 417 N -1.21 1.93 0.00 1.61 2.85 -1.26 -2.39 118.16 119.70 2oi7 n LYS 417 Ca 0.13 0.70 0.00 0.00 -1.05 0.00 0.00 58.31 58.09 2oi7 n LYS 417 Cb 0.48 -2.52 0.00 0.00 -0.65 0.00 0.00 35.03 32.34 2oi7 n LYS 417 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2oi7 n GLY 418 N 0.73 2.75 3.69 2.58 0.00 0.71 -1.77 105.19 113.89 2oi7 n GLY 418 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2oi7 n GLY 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi7 s ALA 419 N -2.89 1.67 -0.07 4.61 0.00 -1.00 -4.06 121.76 120.01 2oi7 s ALA 419 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.57 2oi7 s ALA 419 Cb 0.00 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.71 2oi7 s ALA 419 CO 0.00 -2.51 -0.06 0.99 0.00 0.00 0.00 175.76 174.18 2oi7 s THR 420 N -2.57 0.72 -0.22 0.00 2.01 0.32 -1.89 115.64 114.01 2oi7 s THR 420 Ca 0.67 -0.18 -0.07 0.00 0.31 0.00 0.00 61.69 62.43 2oi7 s THR 420 Cb -0.23 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 2oi7 s THR 420 CO 0.56 0.29 0.07 -0.63 -0.69 0.00 0.00 174.62 174.21 2oi7 s ILE 421 N 1.26 4.50 0.63 1.82 1.01 -0.14 -0.51 121.20 129.77 2oi7 s ILE 421 Ca -0.05 -0.12 -0.18 0.00 0.00 0.00 0.00 60.65 60.30 2oi7 s ILE 421 Cb -0.14 -3.07 -0.02 0.00 0.01 0.00 0.00 42.46 39.25 2oi7 s ILE 421 CO -0.02 0.39 1.28 0.00 0.00 0.00 0.00 174.94 176.58 2oi7 s ALA 422 N 1.10 2.43 0.38 9.38 0.00 -0.14 -0.42 121.76 134.49 2oi7 s ALA 422 Ca 0.04 1.18 -0.28 0.00 0.00 0.00 0.00 51.96 52.90 2oi7 s ALA 422 Cb -0.14 -3.53 -0.11 0.00 0.00 0.00 0.00 23.12 19.33 2oi7 s ALA 422 CO 0.03 -1.50 1.49 0.00 0.00 0.00 0.00 175.76 175.78 2oi7 s ALA 423 N -1.43 3.58 -0.93 0.00 0.00 -1.26 -2.68 121.76 119.04 2oi7 s ALA 423 Ca 0.81 1.58 -0.02 0.00 0.00 0.00 0.00 51.96 54.34 2oi7 s ALA 423 Cb -0.36 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.15 2oi7 s ALA 423 CO 0.39 -1.06 0.21 0.41 0.00 0.00 0.00 175.76 175.71 2oi7 n GLY 424 N 0.47 -0.04 3.89 0.00 0.00 0.56 -4.93 105.19 105.14 2oi7 n GLY 424 Ca 0.01 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 2oi7 n GLY 424 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oi7 s THR 425 N -2.78 5.29 -0.41 2.61 2.01 -1.09 -4.82 115.64 116.45 2oi7 s THR 425 Ca 0.11 0.06 -0.06 0.00 0.31 0.00 0.00 61.69 62.11 2oi7 s THR 425 Cb -0.05 -3.59 0.09 0.00 0.01 0.00 0.00 72.50 68.97 2oi7 s THR 425 CO 0.13 0.27 0.22 -0.89 -0.69 0.00 0.00 174.62 173.65 2oi7 s THR 426 N -1.40 3.66 -0.35 -0.82 2.01 -1.26 -1.49 115.64 115.99 2oi7 s THR 426 Ca 0.31 -1.74 -0.25 0.00 0.31 0.00 0.00 61.69 60.32 2oi7 s THR 426 Cb -0.13 -3.36 0.01 0.00 0.01 0.00 0.00 72.50 69.03 2oi7 s THR 426 CO 0.19 -0.58 0.90 -0.69 -0.69 0.00 0.00 174.62 173.76 2oi7 s VAL 427 N 1.27 4.63 -0.01 3.82 1.01 -0.49 -4.87 120.40 125.75 2oi7 s VAL 427 Ca 0.05 1.22 0.05 0.00 0.00 0.00 0.00 61.98 63.30 2oi7 s VAL 427 Cb -0.23 -4.30 -0.08 0.00 0.00 0.00 0.00 36.38 31.77 2oi7 s VAL 427 CO -0.01 -0.47 0.11 0.35 0.00 0.00 0.00 175.10 175.08 2oi7 n THR 428 N 5.87 0.02 -4.46 3.92 -2.24 -1.26 -0.47 114.28 115.66 2oi7 n THR 428 Ca 0.07 -0.13 -0.25 0.00 -2.27 0.00 0.00 64.05 61.47 2oi7 n THR 428 Cb 0.48 0.31 -0.10 0.00 -2.10 0.00 0.00 70.33 68.91 2oi7 n THR 428 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2oi7 s ARG 429 N -2.36 1.64 0.54 -0.78 0.52 -1.26 -4.91 118.95 112.33 2oi7 s ARG 429 Ca -0.02 -1.71 -0.22 0.00 -0.52 0.00 0.00 55.73 53.26 2oi7 s ARG 429 Cb 0.03 -1.78 -0.05 0.00 0.52 0.00 0.00 34.95 33.67 2oi7 s ARG 429 CO 0.22 0.35 1.36 -0.80 0.02 0.00 0.00 175.30 176.45 2oi7 s ASN 430 N -3.30 5.31 -0.17 0.23 0.01 -1.26 -4.77 114.94 110.98 2oi7 s ASN 430 Ca 0.28 2.76 -0.06 0.00 -0.71 0.00 0.00 52.86 55.13 2oi7 s ASN 430 Cb -0.06 -2.64 -0.03 0.00 0.41 0.00 0.00 41.25 38.93 2oi7 s ASN 430 CO 0.14 -1.54 0.02 -0.69 -1.51 0.00 0.00 177.10 173.51 2oi7 s VAL 431 N -1.30 4.35 1.05 1.60 1.01 -0.18 -4.98 120.40 121.94 2oi7 s VAL 431 Ca 0.71 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.38 2oi7 s VAL 431 Cb -0.40 -2.94 0.22 0.00 0.00 0.00 0.00 36.38 33.25 2oi7 s VAL 431 CO 0.48 0.47 1.07 -0.83 0.00 0.00 0.00 175.10 176.29 2oi7 s GLY 432 N 0.42 1.58 0.33 4.51 0.00 -1.26 -0.32 107.32 112.58 2oi7 s GLY 432 Ca -0.00 -0.13 -0.27 0.00 0.00 0.00 0.00 44.72 44.32 2oi7 s GLY 432 CO 0.02 0.49 1.07 -0.54 0.00 0.00 0.00 173.10 174.13 2oi7 s GLU 433 N -4.72 4.46 -2.10 2.90 2.02 -1.26 -2.86 118.70 117.13 2oi7 s GLU 433 Ca 0.66 1.66 0.00 0.00 0.02 0.00 0.00 54.97 57.31 2oi7 s GLU 433 Cb -0.22 -2.92 0.00 0.00 0.10 0.00 0.00 34.13 31.09 2oi7 s GLU 433 CO 0.61 0.09 0.00 0.09 0.02 0.00 0.00 175.26 176.06 2oi7 n ASN 434 N 0.68 -5.51 -4.63 -0.19 3.02 -0.73 -4.84 115.26 103.06 2oi7 n ASN 434 Ca 0.01 0.41 -0.29 0.00 -0.03 0.00 0.00 54.58 54.68 2oi7 n ASN 434 Cb 0.47 -4.81 -0.09 0.00 -0.61 0.00 0.00 39.78 34.74 2oi7 n ASN 434 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2oi7 s ALA 435 N -2.80 3.12 -0.45 5.41 0.00 -1.14 -4.85 121.76 121.05 2oi7 s ALA 435 Ca 0.00 -1.26 -0.14 0.00 0.00 0.00 0.00 51.96 50.56 2oi7 s ALA 435 Cb 0.00 -1.00 0.07 0.00 0.00 0.00 0.00 23.12 22.19 2oi7 s ALA 435 CO 0.00 0.60 0.35 -1.17 0.00 0.00 0.00 175.76 175.55 2oi7 s LEU 436 N -2.48 5.46 -0.09 0.00 2.96 -1.26 -0.52 118.68 122.75 2oi7 s LEU 436 Ca 0.25 -1.33 -0.27 0.00 -0.22 0.00 0.00 54.13 52.56 2oi7 s LEU 436 Cb -0.11 -2.13 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 2oi7 s LEU 436 CO 0.16 -0.60 0.86 0.00 -1.32 0.00 0.00 176.35 175.46 2oi7 s ALA 437 N 1.59 3.36 0.07 5.97 0.00 0.33 -4.95 121.76 128.14 2oi7 s ALA 437 Ca 0.04 0.24 -0.05 0.00 0.00 0.00 0.00 51.96 52.19 2oi7 s ALA 437 Cb -0.23 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 2oi7 s ALA 437 CO 0.06 -0.40 0.08 -1.50 0.00 0.00 0.00 175.76 174.00 2oi7 s ILE 438 N 1.50 0.18 -0.42 0.00 2.07 -1.26 -0.97 121.20 122.30 2oi7 s ILE 438 Ca 0.43 -1.51 0.05 0.00 -1.41 0.00 0.00 60.65 58.20 2oi7 s ILE 438 Cb -0.18 -1.46 0.30 0.00 0.13 0.00 0.00 42.46 41.25 2oi7 s ILE 438 CO 0.19 -0.81 1.14 -1.54 -1.91 0.00 0.00 174.94 172.01 2oi7 n SER 439 N 0.02 -2.10 -4.34 4.50 3.41 -1.26 -4.98 113.62 108.86 2oi7 n SER 439 Ca -0.14 -2.96 -0.23 0.00 -0.26 0.00 0.00 58.87 55.27 2oi7 n SER 439 Cb 0.62 1.59 -0.12 0.00 -0.26 0.00 0.00 64.21 66.04 2oi7 n SER 439 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2oi7 s ARG 440 N 0.30 1.29 0.04 4.33 1.70 -1.26 -4.72 118.95 120.63 2oi7 s ARG 440 Ca 0.25 -1.38 -0.20 0.00 -0.47 0.00 0.00 55.73 53.93 2oi7 s ARG 440 Cb 0.27 -1.45 -0.06 0.00 -0.57 0.00 0.00 34.95 33.14 2oi7 s ARG 440 CO -0.14 0.31 0.59 0.08 -1.08 0.00 0.00 175.30 175.06 2oi7 s VAL 441 N -1.78 4.81 0.19 4.99 1.01 -1.26 -5.02 120.40 123.33 2oi7 s VAL 441 Ca 0.15 1.25 -0.31 0.00 0.00 0.00 0.00 61.98 63.07 2oi7 s VAL 441 Cb -0.07 -3.92 -0.10 0.00 0.00 0.00 0.00 36.38 32.29 2oi7 s VAL 441 CO 0.07 0.48 1.47 -2.84 0.00 0.00 0.00 175.10 174.28 2oi7 s PRO 442 N -0.64 4.26 -0.10 2.72 0.02 -1.26 -4.92 135.00 135.08 2oi7 s PRO 442 Ca 0.30 2.26 -0.29 0.00 0.02 0.00 0.00 61.00 63.29 2oi7 s PRO 442 Cb -0.19 -3.16 -0.06 0.00 0.02 0.00 0.00 34.50 31.11 2oi7 s PRO 442 CO 0.18 -0.48 1.92 -1.14 -0.33 0.00 0.00 177.00 177.15 2oi7 s GLN 443 N 0.51 3.79 0.57 5.54 0.74 -1.26 -4.99 119.66 124.56 2oi7 s GLN 443 Ca 0.64 2.19 0.06 0.00 0.05 0.00 0.00 55.36 58.30 2oi7 s GLN 443 Cb -0.41 -4.17 0.06 0.00 1.10 0.00 0.00 33.01 29.59 2oi7 s GLN 443 CO 0.36 -1.34 0.52 0.95 -0.55 0.00 0.00 175.29 175.23 2oi7 s THR 444 N 5.64 1.63 0.03 -0.34 -4.23 -1.26 -5.15 115.64 111.96 2oi7 s THR 444 Ca 0.86 -1.37 -0.04 0.00 -1.18 0.00 0.00 61.69 59.96 2oi7 s THR 444 Cb -0.35 -2.00 -0.02 0.00 1.34 0.00 0.00 72.50 71.47 2oi7 s THR 444 CO 0.36 0.00 0.05 -1.58 -0.54 0.00 0.00 174.62 172.91 2oi7 s GLN 445 N -4.42 0.53 -0.17 3.99 0.74 -1.26 -5.13 119.66 113.94 2oi7 s GLN 445 Ca 0.39 -0.78 -0.03 0.00 0.05 0.00 0.00 55.36 55.00 2oi7 s GLN 445 Cb -0.03 0.20 0.05 0.00 1.10 0.00 0.00 33.01 34.34 2oi7 s GLN 445 CO 0.25 -0.12 0.03 0.21 -0.55 0.00 0.00 175.29 175.11 2oi7 s LYS 446 N -2.52 0.62 0.81 1.67 2.20 -1.26 -5.14 119.74 116.11 2oi7 s LYS 446 Ca -0.06 -0.32 -0.10 0.00 -0.36 0.00 0.00 55.97 55.13 2oi7 s LYS 446 Cb -0.02 -1.92 0.08 0.00 -1.51 0.00 0.00 37.83 34.46 2oi7 s LYS 446 CO -0.04 -0.59 1.11 -1.21 -0.36 0.00 0.00 175.35 174.25 2oi7 s GLU 447 N 1.89 1.92 -1.50 4.03 0.41 -1.26 -4.02 118.70 120.17 2oi7 s GLU 447 Ca 0.00 1.28 -0.04 0.00 -0.41 0.00 0.00 54.97 55.80 2oi7 s GLU 447 Cb -0.16 -1.85 0.01 0.00 -1.78 0.00 0.00 34.13 30.34 2oi7 s GLU 447 CO -0.08 -1.91 0.11 0.41 -0.49 0.00 0.00 175.26 173.30 2oi7 n GLY 448 N -0.82 -0.21 3.69 -1.39 0.00 -1.26 -4.91 105.19 100.29 2oi7 n GLY 448 Ca 0.10 0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.92 2oi7 n GLY 448 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2oi7 s TRP 449 N -4.26 3.45 -0.16 1.61 -0.00 -1.26 -5.06 118.94 113.27 2oi7 s TRP 449 Ca 0.06 0.98 -0.05 0.00 -0.00 0.00 0.00 56.10 57.09 2oi7 s TRP 449 Cb -0.03 -2.74 -0.03 0.00 -0.00 0.00 0.00 33.47 30.66 2oi7 s TRP 449 CO 0.99 -0.04 0.01 -0.98 -0.00 0.00 0.00 176.95 176.94 2oi7 s ARG 450 N 1.36 3.79 0.40 5.86 1.70 -1.26 -5.10 118.95 125.70 2oi7 s ARG 450 Ca 0.30 -0.43 -0.24 0.00 -0.47 0.00 0.00 55.73 54.89 2oi7 s ARG 450 Cb -0.16 -3.05 -0.09 0.00 -0.57 0.00 0.00 34.95 31.08 2oi7 s ARG 450 CO 0.12 0.29 1.05 1.03 -1.08 0.00 0.00 175.30 176.71 2oi7 s ARG 451 N 0.29 4.17 0.00 3.89 0.52 -1.26 -5.30 118.95 121.26 2oi7 s ARG 451 Ca 0.00 1.52 0.00 0.00 -0.52 0.00 0.00 55.73 56.73 2oi7 s ARG 451 Cb -0.13 -2.56 0.00 0.00 0.52 0.00 0.00 34.95 32.78 2oi7 s ARG 451 CO 0.02 -0.13 0.34 -2.30 0.02 0.00 0.00 175.30 173.24