#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m72 s VAL 41 N 0.00 0.40 0.27 1.55 0.11 -1.26 -5.15 120.40 116.33 1m72 s VAL 41 Ca 0.00 -0.08 0.07 0.00 -2.93 0.00 0.00 61.98 59.05 1m72 s VAL 41 Cb 0.00 -0.43 -0.06 0.00 -1.53 0.00 0.00 36.38 34.36 1m72 s VAL 41 CO 0.00 0.18 -0.08 0.00 -3.33 0.00 0.00 175.10 171.87 1m72 s ALA 42 N 0.75 2.37 0.18 1.54 0.00 -1.26 -5.08 121.76 120.26 1m72 s ALA 42 Ca -0.09 -1.89 -0.31 0.00 0.00 0.00 0.00 51.96 49.68 1m72 s ALA 42 Cb -0.12 0.11 -0.09 0.00 0.00 0.00 0.00 23.12 23.02 1m72 s ALA 42 CO -0.00 -0.02 1.46 0.50 0.00 0.00 0.00 175.76 177.69 1m72 s ARG 43 N -3.70 4.27 -0.20 0.00 3.52 -1.26 -4.95 118.95 116.64 1m72 s ARG 43 Ca 0.29 2.25 -0.29 0.00 -0.13 0.00 0.00 55.73 57.84 1m72 s ARG 43 Cb 0.03 -3.16 -0.01 0.00 -1.56 0.00 0.00 34.95 30.24 1m72 s ARG 43 CO 0.12 -0.47 1.35 1.41 -0.81 0.00 0.00 175.30 176.89 1m72 s MET 44 N 0.52 4.10 0.09 5.12 -2.45 -1.26 -4.89 119.30 120.53 1m72 s MET 44 Ca 0.64 1.60 0.24 0.00 -1.25 0.00 0.00 55.69 56.93 1m72 s MET 44 Cb -0.41 -3.84 0.37 0.00 1.25 0.00 0.00 34.83 32.20 1m72 s MET 44 CO 0.36 -0.89 1.33 -0.35 1.05 0.00 0.00 175.02 176.51 1m72 n PRO 45 N 6.95 0.23 -3.72 4.11 -0.04 -1.26 -4.95 135.00 136.33 1m72 n PRO 45 Ca 0.15 0.06 -0.10 0.00 -0.04 0.00 0.00 63.50 63.57 1m72 n PRO 45 Cb 0.45 -1.64 -0.04 0.00 -0.04 0.00 0.00 33.50 32.23 1m72 n PRO 45 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1m72 s VAL 46 N -3.14 0.04 0.53 0.52 0.11 -1.26 -4.62 120.40 112.58 1m72 s VAL 46 Ca 0.07 -0.75 -0.16 0.00 -2.93 0.00 0.00 61.98 58.21 1m72 s VAL 46 Cb 0.14 -1.45 -0.07 0.00 -1.53 0.00 0.00 36.38 33.47 1m72 s VAL 46 CO 0.72 -0.20 0.99 1.51 -3.33 0.00 0.00 175.10 174.79 1m72 s ASP 47 N -2.86 6.55 0.12 3.54 -4.77 -1.26 -4.96 116.67 113.03 1m72 s ASP 47 Ca 0.08 1.56 -0.24 0.00 -3.30 0.00 0.00 52.55 50.65 1m72 s ASP 47 Cb 0.00 -2.51 -0.05 0.00 -1.09 0.00 0.00 42.92 39.28 1m72 s ASP 47 CO -0.06 -0.64 1.35 -1.14 0.70 0.00 0.00 175.17 175.38 1m72 n ARG 48 N -1.73 -0.33 -0.60 2.11 0.63 -1.26 -1.82 116.66 113.65 1m72 n ARG 48 Ca 0.07 1.32 0.04 0.00 -0.92 0.00 0.00 57.85 58.35 1m72 n ARG 48 Cb 0.54 -1.95 0.26 0.00 0.45 0.00 0.00 32.46 31.76 1m72 n ARG 48 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1m72 n ASN 49 N -4.75 4.09 -4.73 6.15 3.02 -1.26 -4.97 115.26 112.81 1m72 n ASN 49 Ca 0.02 -2.64 -0.42 0.00 -0.03 0.00 0.00 54.58 51.51 1m72 n ASN 49 Cb 0.20 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 38.71 1m72 n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1m72 s ALA 50 N -2.16 3.68 0.35 5.41 0.00 -0.75 -4.89 121.76 123.40 1m72 s ALA 50 Ca 0.36 1.33 0.20 0.00 0.00 0.00 0.00 51.96 53.85 1m72 s ALA 50 Cb 0.28 -3.58 1.02 0.00 0.00 0.00 0.00 23.12 20.83 1m72 s ALA 50 CO 0.10 -0.75 1.92 -1.35 0.00 0.00 0.00 175.76 175.68 1m72 h PRO 51 N 5.80 0.00 -6.41 0.00 0.11 -1.93 -3.45 132.00 126.11 1m72 h PRO 51 Ca -0.44 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.03 1m72 h PRO 51 Cb 1.21 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.07 1m72 h PRO 51 CO 0.83 0.25 -0.86 0.71 -0.21 0.00 0.00 178.00 178.73 1m72 s TYR 52 N -4.12 2.05 0.80 0.65 1.51 -1.26 -0.72 117.35 116.26 1m72 s TYR 52 Ca -0.02 -0.39 -0.13 0.00 -1.01 0.00 0.00 57.07 55.52 1m72 s TYR 52 Cb 0.13 -1.22 0.08 0.00 -0.11 0.00 0.00 41.96 40.84 1m72 s TYR 52 CO 0.66 0.13 1.17 0.71 -1.11 0.00 0.00 175.55 177.10 1m72 s TYR 53 N -0.84 1.99 -0.53 2.71 2.02 -0.75 -4.89 117.35 117.07 1m72 s TYR 53 Ca 0.10 1.66 -0.24 0.00 -0.37 0.00 0.00 57.07 58.22 1m72 s TYR 53 Cb -0.09 -3.36 0.04 0.00 -0.40 0.00 0.00 41.96 38.15 1m72 s TYR 53 CO 0.02 -2.53 0.90 1.21 -1.57 0.00 0.00 175.55 173.58 1m72 s ASN 54 N -2.46 6.35 -0.50 2.29 2.47 -1.26 -4.88 114.94 116.95 1m72 s ASN 54 Ca 0.70 -0.32 0.02 0.00 0.42 0.00 0.00 52.86 53.68 1m72 s ASN 54 Cb -0.25 -2.42 0.55 0.00 -1.45 0.00 0.00 41.25 37.68 1m72 s ASN 54 CO 0.51 -1.15 1.85 0.23 -3.72 0.00 0.00 177.10 174.82 1m72 n MET 55 N 7.26 2.47 -0.59 0.43 2.81 -1.26 -4.50 117.12 123.74 1m72 n MET 55 Ca 0.02 -3.23 0.02 0.00 -1.81 0.00 0.00 57.70 52.69 1m72 n MET 55 Cb 0.47 -2.18 0.21 0.00 -0.71 0.00 0.00 33.22 31.01 1m72 n MET 55 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1m72 n ASN 56 N -1.02 2.65 -4.73 7.83 3.02 -1.26 -4.94 115.26 116.80 1m72 n ASN 56 Ca 0.56 -3.53 -0.29 0.00 -0.03 0.00 0.00 54.58 51.29 1m72 n ASN 56 Cb 1.14 -0.57 0.15 0.00 -0.61 0.00 0.00 39.78 39.89 1m72 n ASN 56 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1m72 s HIS 57 N -3.10 2.34 0.25 3.10 3.76 -1.26 -4.94 115.29 115.44 1m72 s HIS 57 Ca 0.41 1.01 -0.05 0.00 -0.15 0.00 0.00 55.06 56.28 1m72 s HIS 57 Cb 0.37 -3.26 0.30 0.00 1.11 0.00 0.00 32.58 31.10 1m72 s HIS 57 CO 0.01 -2.52 1.90 0.87 -0.85 0.00 0.00 174.74 174.14 1m72 h LYS 58 N -1.63 1.17 -6.75 1.40 1.57 -1.93 -3.43 116.57 106.97 1m72 h LYS 58 Ca -0.52 -0.07 -0.69 0.00 -1.87 0.00 0.00 60.65 57.50 1m72 h LYS 58 Cb 1.32 -0.26 -0.25 0.00 0.08 0.00 0.00 32.23 33.11 1m72 h LYS 58 CO 0.59 0.77 -0.87 -1.01 -0.57 0.00 0.00 179.45 178.36 1m72 s HIS 59 N -6.09 2.35 0.14 -1.35 3.76 -0.31 -4.62 115.29 109.17 1m72 s HIS 59 Ca -0.13 -0.38 -0.15 0.00 -0.15 0.00 0.00 55.06 54.25 1m72 s HIS 59 Cb 0.18 -1.37 0.01 0.00 1.11 0.00 0.00 32.58 32.51 1m72 s HIS 59 CO 0.81 0.19 1.70 -0.09 -0.85 0.00 0.00 174.74 176.49 1m72 h ARG 60 N 4.56 0.66 0.00 1.40 9.65 -1.84 -1.47 114.38 127.34 1m72 h ARG 60 Ca -0.48 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.29 1m72 h ARG 60 Cb 1.15 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 1m72 h ARG 60 CO 0.43 0.60 0.00 0.41 2.80 0.00 0.00 179.97 184.21 1m72 n GLY 61 N -0.79 0.79 3.80 2.80 0.00 -1.26 -1.48 105.19 109.05 1m72 n GLY 61 Ca 0.01 -2.23 -0.35 0.00 0.00 0.00 0.00 46.02 43.44 1m72 n GLY 61 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1m72 s MET 62 N -0.88 4.43 -0.18 1.61 -1.94 -1.26 -1.24 119.30 119.84 1m72 s MET 62 Ca 0.00 1.22 -0.01 0.00 -1.71 0.00 0.00 55.69 55.19 1m72 s MET 62 Cb 0.00 -2.56 0.05 0.00 2.01 0.00 0.00 34.83 34.33 1m72 s MET 62 CO 0.00 0.16 -0.02 0.00 -0.01 0.00 0.00 175.02 175.15 1m72 s ALA 63 N -1.84 1.36 -0.18 3.03 0.00 -0.58 -1.81 121.76 121.74 1m72 s ALA 63 Ca 0.55 -0.84 -0.03 0.00 0.00 0.00 0.00 51.96 51.64 1m72 s ALA 63 Cb -0.15 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 1m72 s ALA 63 CO 0.19 -0.96 -0.05 0.96 0.00 0.00 0.00 175.76 175.90 1m72 s ILE 64 N 1.68 3.53 -0.25 0.00 -4.36 -0.53 -0.63 121.20 120.64 1m72 s ILE 64 Ca -0.01 -0.46 -0.05 0.00 -0.26 0.00 0.00 60.65 59.87 1m72 s ILE 64 Cb -0.16 -2.57 -0.00 0.00 1.25 0.00 0.00 42.46 40.97 1m72 s ILE 64 CO -0.07 0.46 0.02 -0.63 0.24 0.00 0.00 174.94 174.96 1m72 s ILE 65 N 0.91 3.72 -0.48 8.37 1.01 0.09 -0.69 121.20 134.13 1m72 s ILE 65 Ca -0.01 -0.53 -0.16 0.00 0.00 0.00 0.00 60.65 59.96 1m72 s ILE 65 Cb -0.15 -2.79 0.08 0.00 0.01 0.00 0.00 42.46 39.61 1m72 s ILE 65 CO 0.01 0.28 0.40 -0.36 0.00 0.00 0.00 174.94 175.27 1m72 s PHE 66 N 1.50 3.25 -0.30 3.97 0.40 0.30 0.04 117.98 127.14 1m72 s PHE 66 Ca 0.04 -0.96 -0.10 0.00 -0.60 0.00 0.00 56.93 55.32 1m72 s PHE 66 Cb -0.16 -3.22 -0.02 0.00 0.51 0.00 0.00 43.02 40.14 1m72 s PHE 66 CO -0.00 -0.81 0.15 1.21 0.70 0.00 0.00 175.22 176.47 1m72 s ASN 67 N 2.68 5.59 -0.25 1.36 3.04 -0.86 -1.23 114.94 125.27 1m72 s ASN 67 Ca 0.04 -0.42 -0.02 0.00 0.04 0.00 0.00 52.86 52.50 1m72 s ASN 67 Cb -0.25 -2.02 0.02 0.00 -1.54 0.00 0.00 41.25 37.47 1m72 s ASN 67 CO 0.06 -0.16 -0.06 -1.00 -3.04 0.00 0.00 177.10 172.91 1m72 s HIS 68 N 1.64 3.05 -0.10 0.43 3.76 -0.29 -0.22 115.29 123.56 1m72 s HIS 68 Ca 0.05 -1.48 0.12 0.00 -0.15 0.00 0.00 55.06 53.60 1m72 s HIS 68 Cb -0.17 -2.07 -0.17 0.00 1.11 0.00 0.00 32.58 31.29 1m72 s HIS 68 CO 0.07 -0.71 0.11 -1.91 -0.85 0.00 0.00 174.74 171.44 1m72 n GLU 69 N 4.69 1.57 -4.04 1.40 2.13 -1.26 -4.60 120.64 120.53 1m72 n GLU 69 Ca -0.17 -0.04 -0.12 0.00 0.66 0.00 0.00 57.16 57.50 1m72 n GLU 69 Cb 0.47 -1.32 -0.12 0.00 0.27 0.00 0.00 31.44 30.74 1m72 n GLU 69 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1m72 s HIS 70 N -2.46 0.46 0.04 4.31 3.76 -1.26 -0.50 115.29 119.63 1m72 s HIS 70 Ca -0.06 -0.39 0.04 0.00 -0.15 0.00 0.00 55.06 54.50 1m72 s HIS 70 Cb 0.05 -0.29 -0.02 0.00 1.11 0.00 0.00 32.58 33.43 1m72 s HIS 70 CO 0.52 -0.09 -0.13 -0.06 -0.85 0.00 0.00 174.74 174.13 1m72 s PHE 71 N -1.06 1.14 -1.68 1.40 0.40 -1.26 -4.79 117.98 112.13 1m72 s PHE 71 Ca -0.09 -0.35 0.06 0.00 -0.60 0.00 0.00 56.93 55.95 1m72 s PHE 71 Cb -0.08 -0.68 0.20 0.00 0.51 0.00 0.00 43.02 42.98 1m72 s PHE 71 CO -0.00 0.02 1.07 -0.25 0.70 0.00 0.00 175.22 176.77 1m72 n ASP 72 N 1.91 1.45 -4.37 1.36 8.00 -0.53 -4.65 116.55 119.72 1m72 n ASP 72 Ca -0.18 -2.07 -0.42 0.00 0.71 0.00 0.00 54.79 52.82 1m72 n ASP 72 Cb 0.55 -0.25 -0.09 0.00 -0.02 0.00 0.00 41.12 41.30 1m72 n ASP 72 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1m72 s ILE 73 N -1.66 4.85 0.27 0.53 1.01 -1.26 -4.97 121.20 119.97 1m72 s ILE 73 Ca 0.14 -1.04 -0.02 0.00 0.00 0.00 0.00 60.65 59.73 1m72 s ILE 73 Cb 0.09 -3.84 0.40 0.00 0.01 0.00 0.00 42.46 39.11 1m72 s ILE 73 CO 0.08 -0.44 1.41 1.57 0.00 0.00 0.00 174.94 177.56 1m72 n HIS 74 N 5.08 0.47 0.33 3.97 -0.00 -1.26 -0.32 115.22 123.48 1m72 n HIS 74 Ca -0.11 1.09 0.13 0.00 -0.00 0.00 0.00 57.72 58.83 1m72 n HIS 74 Cb 0.44 -1.11 0.59 0.00 -0.00 0.00 0.00 29.99 29.92 1m72 n HIS 74 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1m72 h SER 75 N 0.00 0.00 -3.46 0.26 4.64 -1.95 -3.43 113.55 109.60 1m72 h SER 75 Ca 0.50 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 61.22 1m72 h SER 75 Cb 0.92 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.90 1m72 h SER 75 CO -0.88 0.00 -0.19 -0.76 -0.87 0.00 0.00 176.83 174.12 1m72 s LEU 76 N -4.92 4.16 0.59 5.97 1.43 0.56 -5.08 118.68 121.40 1m72 s LEU 76 Ca 0.02 0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 53.58 1m72 s LEU 76 Cb 0.09 -2.53 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 1m72 s LEU 76 CO 0.39 -0.07 0.95 -0.54 0.23 0.00 0.00 176.35 177.30 1m72 s LYS 77 N 1.26 3.31 0.58 1.70 1.02 -1.26 -4.65 119.74 121.70 1m72 s LYS 77 Ca 0.20 0.40 -0.20 0.00 0.02 0.00 0.00 55.97 56.39 1m72 s LYS 77 Cb -0.15 -2.19 -0.04 0.00 -0.52 0.00 0.00 37.83 34.94 1m72 s LYS 77 CO 0.08 -0.58 1.24 -1.12 -0.92 0.00 0.00 175.35 174.05 1m72 s SER 78 N -4.22 5.21 -0.95 2.83 0.01 -1.26 -4.76 113.70 110.56 1m72 s SER 78 Ca 0.53 2.47 -0.01 0.00 1.31 0.00 0.00 55.95 60.26 1m72 s SER 78 Cb -0.11 -2.61 0.33 0.00 0.21 0.00 0.00 66.02 63.85 1m72 s SER 78 CO 0.49 -1.58 1.85 0.54 0.41 0.00 0.00 173.24 174.95 1m72 n ARG 79 N -1.44 4.56 -1.59 12.44 1.74 0.35 -5.02 116.66 127.71 1m72 n ARG 79 Ca 0.13 -4.34 -0.53 0.00 -0.77 0.00 0.00 57.85 52.34 1m72 n ARG 79 Cb 0.49 -2.40 -0.06 0.00 -1.02 0.00 0.00 32.46 29.46 1m72 n ARG 79 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1m72 n THR 80 N -0.21 0.02 0.00 0.55 -1.04 -1.26 -1.34 114.28 110.99 1m72 n THR 80 Ca 0.48 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.49 1m72 n THR 80 Cb 0.26 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 68.01 1m72 n THR 80 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1m72 n GLY 81 N 2.52 0.79 0.23 3.41 0.00 -1.22 -4.09 105.19 106.83 1m72 n GLY 81 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 1m72 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m72 h THR 82 N 0.00 0.86 -0.14 2.61 1.03 -1.54 -1.70 112.91 114.04 1m72 h THR 82 Ca 0.00 -0.88 -0.08 0.00 -0.01 0.00 0.00 66.41 65.43 1m72 h THR 82 Cb 0.00 1.52 -0.01 0.00 -1.07 0.00 0.00 68.15 68.59 1m72 h THR 82 CO 0.00 0.22 -0.29 0.78 -0.01 0.00 0.00 175.52 176.22 1m72 h ASN 83 N 0.00 0.26 -0.32 0.00 -0.26 -1.92 -0.10 115.58 113.23 1m72 h ASN 83 Ca -0.00 -0.08 -0.01 0.00 -0.56 0.00 0.00 56.30 55.64 1m72 h ASN 83 Cb 0.50 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.68 1m72 h ASN 83 CO 0.03 0.55 0.16 0.58 -1.06 0.00 0.00 177.43 177.69 1m72 h VAL 84 N 0.23 1.15 -0.41 2.81 2.07 -1.68 -1.06 116.25 119.36 1m72 h VAL 84 Ca 0.03 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.20 1m72 h VAL 84 Cb 0.64 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1m72 h VAL 84 CO 0.05 0.15 0.13 0.44 0.02 0.00 0.00 177.57 178.35 1m72 h ASP 85 N 0.39 0.12 -0.48 0.57 5.19 -1.25 -0.75 116.42 120.19 1m72 h ASP 85 Ca 0.11 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.55 1m72 h ASP 85 Cb 0.09 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.63 1m72 h ASP 85 CO -0.02 0.10 0.21 -1.28 -3.12 0.00 0.00 179.24 175.14 1m72 h SER 86 N 0.28 0.65 -0.43 6.45 0.87 -0.67 0.28 113.55 120.98 1m72 h SER 86 Ca 0.19 -0.15 -0.09 0.00 -1.23 0.00 0.00 61.79 60.52 1m72 h SER 86 Cb 0.19 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1m72 h SER 86 CO -0.21 0.62 -0.07 0.44 -0.53 0.00 0.00 176.83 177.08 1m72 h ASP 87 N 0.64 0.80 -0.13 6.23 3.32 -1.04 -0.78 116.42 125.45 1m72 h ASP 87 Ca 0.16 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 1m72 h ASP 87 Cb 0.16 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1m72 h ASP 87 CO -0.02 0.96 0.06 -1.13 -1.72 0.00 0.00 179.24 177.39 1m72 h ASN 88 N 0.63 0.18 -0.46 6.45 -1.24 -0.96 -0.39 115.58 119.80 1m72 h ASN 88 Ca 0.11 -0.14 -0.08 0.00 0.71 0.00 0.00 56.30 56.90 1m72 h ASN 88 Cb 0.59 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.58 1m72 h ASN 88 CO 0.04 0.27 -0.04 0.25 -1.29 0.00 0.00 177.43 176.65 1m72 h LEU 89 N 0.08 0.82 -0.60 0.34 5.85 -0.94 -1.87 115.31 119.00 1m72 h LEU 89 Ca 0.05 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1m72 h LEU 89 Cb 0.14 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1m72 h LEU 89 CO -0.01 0.96 0.38 -1.28 -0.34 0.00 0.00 178.44 178.15 1m72 h SER 90 N 0.67 0.70 0.02 1.25 0.87 -0.93 -0.80 113.55 115.33 1m72 h SER 90 Ca 0.12 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1m72 h SER 90 Cb 0.56 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1m72 h SER 90 CO 0.03 0.53 -0.01 0.50 -0.53 0.00 0.00 176.83 177.35 1m72 h LYS 91 N 0.81 -0.02 -0.30 2.24 3.64 -0.88 -2.10 116.57 119.95 1m72 h LYS 91 Ca 0.22 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.54 1m72 h LYS 91 Cb -0.06 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1m72 h LYS 91 CO -0.04 0.27 -0.05 -0.24 -2.27 0.00 0.00 179.45 177.12 1m72 h VAL 92 N -0.32 1.20 -0.13 2.00 3.04 -1.21 -2.48 116.25 118.35 1m72 h VAL 92 Ca -0.00 -0.83 -0.11 0.00 -1.01 0.00 0.00 66.70 64.75 1m72 h VAL 92 Cb 0.30 1.03 -0.01 0.00 -2.01 0.00 0.00 31.29 30.60 1m72 h VAL 92 CO 0.00 0.28 -0.39 -0.07 -1.01 0.00 0.00 177.57 176.38 1m72 h LEU 93 N 0.45 0.30 -0.50 3.16 3.38 -1.06 -2.66 115.31 118.38 1m72 h LEU 93 Ca 0.09 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1m72 h LEU 93 Cb 0.37 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1m72 h LEU 93 CO 0.02 0.67 0.05 0.11 0.09 0.00 0.00 178.44 179.38 1m72 h LYS 94 N 0.24 0.86 0.00 1.13 1.57 -0.95 -1.28 116.57 118.14 1m72 h LYS 94 Ca 0.02 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1m72 h LYS 94 Cb 0.80 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1m72 h LYS 94 CO 0.06 0.86 0.00 1.79 -0.57 0.00 0.00 179.45 181.60 1m72 h THR 95 N 0.73 0.00 -0.51 -0.16 1.35 -1.13 0.65 112.91 113.84 1m72 h THR 95 Ca 0.15 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 1m72 h THR 95 Cb 0.44 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1m72 h THR 95 CO 0.02 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.47 1m72 n LEU 96 N -2.69 2.75 0.00 3.87 4.77 -0.55 -4.93 117.00 120.22 1m72 n LEU 96 Ca -0.01 -1.38 0.00 0.00 -0.03 0.00 0.00 56.01 54.59 1m72 n LEU 96 Cb 0.12 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1m72 n LEU 96 CO 0.18 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 1m72 n GLY 97 N 1.30 1.16 3.77 -0.72 0.00 0.22 -4.80 105.19 106.12 1m72 n GLY 97 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1m72 n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1m72 s PHE 98 N -2.28 2.68 -0.47 1.61 0.40 -0.77 -4.23 117.98 114.92 1m72 s PHE 98 Ca 0.00 1.34 -0.20 0.00 -0.60 0.00 0.00 56.93 57.47 1m72 s PHE 98 Cb 0.00 -3.79 0.04 0.00 0.51 0.00 0.00 43.02 39.78 1m72 s PHE 98 CO 0.00 -2.46 0.63 0.21 0.70 0.00 0.00 175.22 174.30 1m72 s LYS 99 N -2.28 3.19 -0.04 0.44 2.20 -0.38 -4.39 119.74 118.48 1m72 s LYS 99 Ca 0.58 -0.62 -0.18 0.00 -0.36 0.00 0.00 55.97 55.38 1m72 s LYS 99 Cb -0.41 -4.02 -0.05 0.00 -1.51 0.00 0.00 37.83 31.84 1m72 s LYS 99 CO 0.53 -1.10 0.50 0.08 -0.36 0.00 0.00 175.35 175.00 1m72 s VAL 100 N 2.72 5.03 -0.12 4.02 1.01 -1.26 -1.53 120.40 130.27 1m72 s VAL 100 Ca 0.19 1.03 -0.00 0.00 0.00 0.00 0.00 61.98 63.19 1m72 s VAL 100 Cb -0.16 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.41 1m72 s VAL 100 CO 0.15 0.44 -0.08 -0.89 0.00 0.00 0.00 175.10 174.72 1m72 s THR 101 N -0.19 1.06 -0.18 3.92 2.01 0.20 -4.97 115.64 117.48 1m72 s THR 101 Ca 0.27 -0.31 -0.13 0.00 0.31 0.00 0.00 61.69 61.83 1m72 s THR 101 Cb -0.17 -1.07 -0.05 0.00 0.01 0.00 0.00 72.50 71.22 1m72 s THR 101 CO 0.14 0.37 0.24 -0.69 -0.69 0.00 0.00 174.62 174.00 1m72 s VAL 102 N 1.69 5.33 -0.30 3.82 1.01 -1.26 -0.74 120.40 129.95 1m72 s VAL 102 Ca 0.05 0.43 -0.01 0.00 0.00 0.00 0.00 61.98 62.44 1m72 s VAL 102 Cb -0.13 -3.58 0.06 0.00 0.00 0.00 0.00 36.38 32.73 1m72 s VAL 102 CO -0.08 0.38 0.01 -0.36 0.00 0.00 0.00 175.10 175.05 1m72 s PHE 103 N 0.59 3.30 -0.07 5.22 0.40 0.11 -4.95 117.98 122.57 1m72 s PHE 103 Ca 0.13 -1.96 -0.26 0.00 -0.60 0.00 0.00 56.93 54.24 1m72 s PHE 103 Cb -0.13 -2.18 -0.03 0.00 0.51 0.00 0.00 43.02 41.19 1m72 s PHE 103 CO 0.03 -0.82 0.84 -1.25 0.70 0.00 0.00 175.22 174.72 1m72 s PRO 104 N 1.23 4.45 -1.43 0.24 0.05 -1.26 -2.04 135.00 136.24 1m72 s PRO 104 Ca -0.04 1.13 -0.01 0.00 0.05 0.00 0.00 61.00 62.13 1m72 s PRO 104 Cb -0.20 -3.48 0.00 0.00 0.05 0.00 0.00 34.50 30.87 1m72 s PRO 104 CO -0.02 -0.08 0.34 0.09 0.05 0.00 0.00 177.00 177.38 1m72 n ASN 105 N 4.21 -0.20 -4.87 6.66 3.02 0.69 -4.96 115.26 119.82 1m72 n ASN 105 Ca 0.03 -1.07 -0.31 0.00 -0.03 0.00 0.00 54.58 53.20 1m72 n ASN 105 Cb 0.50 -2.74 0.00 0.00 -0.61 0.00 0.00 39.78 36.94 1m72 n ASN 105 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1m72 s LEU 106 N -7.05 3.30 0.51 3.41 1.43 -1.26 -4.66 118.68 114.35 1m72 s LEU 106 Ca 0.02 1.43 -0.14 0.00 -1.03 0.00 0.00 54.13 54.41 1m72 s LEU 106 Cb -0.01 -4.46 -0.07 0.00 0.03 0.00 0.00 46.19 41.69 1m72 s LEU 106 CO 0.91 -0.82 0.94 -0.54 0.23 0.00 0.00 176.35 177.07 1m72 s LYS 107 N -5.01 3.84 0.50 1.70 1.02 -1.26 -0.81 119.74 119.71 1m72 s LYS 107 Ca 0.55 0.80 0.25 0.00 0.02 0.00 0.00 55.97 57.59 1m72 s LYS 107 Cb -0.11 -2.18 1.32 0.00 -0.52 0.00 0.00 37.83 36.33 1m72 s LYS 107 CO 0.51 -0.28 1.92 1.03 -0.92 0.00 0.00 175.35 177.61 1m72 h SER 108 N 0.74 0.14 0.80 2.83 0.87 -1.91 -0.20 113.55 116.82 1m72 h SER 108 Ca -0.46 0.01 -0.22 0.00 -1.23 0.00 0.00 61.79 59.89 1m72 h SER 108 Cb 1.19 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 1m72 h SER 108 CO 0.62 0.06 -1.02 -0.33 -0.53 0.00 0.00 176.83 175.63 1m72 h GLU 109 N 0.14 0.11 -0.41 2.24 3.07 -1.98 -2.46 114.58 115.30 1m72 h GLU 109 Ca 0.38 -0.17 -0.11 0.00 -0.50 0.00 0.00 59.36 58.96 1m72 h GLU 109 Cb 1.28 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.24 1m72 h GLU 109 CO -0.06 1.03 -0.18 0.93 -1.40 0.00 0.00 179.01 179.34 1m72 h GLU 110 N 0.04 0.84 0.12 2.33 5.08 -1.46 0.25 114.58 121.78 1m72 h GLU 110 Ca -0.05 -0.36 0.01 0.00 -1.00 0.00 0.00 59.36 57.96 1m72 h GLU 110 Cb 1.74 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.95 1m72 h GLU 110 CO 0.15 1.00 -0.16 0.82 -1.00 0.00 0.00 179.01 179.81 1m72 h ILE 111 N 0.65 0.63 -0.90 3.13 2.04 -1.25 -0.90 117.51 120.92 1m72 h ILE 111 Ca 0.09 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.97 1m72 h ILE 111 Cb 0.74 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 1m72 h ILE 111 CO 0.06 0.00 0.59 -1.13 0.00 0.00 0.00 178.15 177.67 1m72 h ASN 112 N -0.33 1.01 -0.09 1.72 -0.73 -1.31 0.23 115.58 116.08 1m72 h ASN 112 Ca 0.02 -0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 1m72 h ASN 112 Cb 0.33 -0.24 -0.00 0.00 0.27 0.00 0.00 38.32 38.67 1m72 h ASN 112 CO -0.07 0.71 0.02 0.50 -0.37 0.00 0.00 177.43 178.22 1m72 h LYS 113 N 1.18 0.14 -0.75 6.67 3.64 -0.62 -1.04 116.57 125.79 1m72 h LYS 113 Ca 0.34 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.63 1m72 h LYS 113 Cb -0.08 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1m72 h LYS 113 CO -0.08 0.33 0.25 0.74 -2.27 0.00 0.00 179.45 178.41 1m72 h PHE 114 N -0.08 1.19 0.00 1.91 0.04 -0.78 -0.16 116.94 119.07 1m72 h PHE 114 Ca 0.03 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.69 1m72 h PHE 114 Cb 0.26 -0.35 -0.00 0.00 2.20 0.00 0.00 35.95 38.05 1m72 h PHE 114 CO 0.01 0.93 -0.02 0.82 -0.60 0.00 0.00 178.31 179.45 1m72 h ILE 115 N 1.11 0.95 -0.74 -0.55 1.08 -0.87 -0.41 117.51 118.08 1m72 h ILE 115 Ca 0.24 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.69 1m72 h ILE 115 Cb 0.29 0.95 -0.04 0.00 -3.07 0.00 0.00 36.82 34.95 1m72 h ILE 115 CO -0.01 0.00 0.38 1.56 -0.69 0.00 0.00 178.15 179.39 1m72 h GLN 116 N -0.04 1.04 -0.38 2.37 4.20 -1.00 -0.43 115.11 120.87 1m72 h GLN 116 Ca 0.01 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 1m72 h GLN 116 Cb 0.05 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1m72 h GLN 116 CO -0.02 0.78 0.23 1.96 -0.67 0.00 0.00 178.83 181.10 1m72 h GLN 117 N 1.04 0.51 -0.58 1.46 4.20 -0.61 -1.81 115.11 119.32 1m72 h GLN 117 Ca 0.26 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.96 1m72 h GLN 117 Cb 0.06 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 1m72 h GLN 117 CO -0.04 0.39 0.34 1.15 -0.67 0.00 0.00 178.83 179.99 1m72 h THR 118 N 0.49 1.02 0.00 -0.54 2.02 -0.25 -0.24 112.91 115.41 1m72 h THR 118 Ca 0.14 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1m72 h THR 118 Cb 0.01 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 66.73 1m72 h THR 118 CO -0.03 0.12 -0.03 0.00 0.37 0.00 0.00 175.52 175.95 1m72 h ALA 119 N 1.28 1.09 -0.01 6.16 0.00 -0.82 -1.89 119.26 125.07 1m72 h ALA 119 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1m72 h ALA 119 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1m72 h ALA 119 CO -0.13 0.04 -0.43 0.39 0.00 0.00 0.00 179.25 179.12 1m72 n GLU 120 N -3.25 0.52 -1.56 0.00 1.02 -0.17 -4.66 120.64 112.54 1m72 n GLU 120 Ca -0.01 -0.34 -0.30 0.00 -0.02 0.00 0.00 57.16 56.49 1m72 n GLU 120 Cb 0.20 -1.49 0.09 0.00 -0.02 0.00 0.00 31.44 30.21 1m72 n GLU 120 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1m72 s MET 121 N -2.71 2.12 -0.43 3.49 -1.94 -0.71 -5.00 119.30 114.12 1m72 s MET 121 Ca 0.18 0.64 -0.21 0.00 -1.71 0.00 0.00 55.69 54.59 1m72 s MET 121 Cb 0.18 -1.92 0.02 0.00 2.01 0.00 0.00 34.83 35.12 1m72 s MET 121 CO 0.62 -1.60 0.67 0.34 -0.01 0.00 0.00 175.02 175.04 1m72 s ASP 122 N -3.91 6.35 -0.13 3.03 -1.08 -1.26 -4.90 116.67 114.76 1m72 s ASP 122 Ca 0.61 -0.25 0.17 0.00 -0.52 0.00 0.00 52.55 52.56 1m72 s ASP 122 Cb -0.14 -2.33 0.72 0.00 -1.46 0.00 0.00 42.92 39.70 1m72 s ASP 122 CO 0.54 -0.79 1.63 1.41 0.52 0.00 0.00 175.17 178.49 1m72 n HIS 123 N 6.33 1.53 -0.32 -5.34 8.25 -1.26 -4.70 115.22 119.72 1m72 n HIS 123 Ca -0.01 -0.64 0.15 0.00 -0.26 0.00 0.00 57.72 56.96 1m72 n HIS 123 Cb 0.48 -0.29 0.34 0.00 1.12 0.00 0.00 29.99 31.64 1m72 n HIS 123 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1m72 h SER 124 N 3.90 0.44 -0.41 0.41 0.02 -1.92 -0.85 113.55 115.15 1m72 h SER 124 Ca 0.00 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1m72 h SER 124 Cb 1.53 0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.17 1m72 h SER 124 CO 0.27 0.02 0.00 0.47 -1.14 0.00 0.00 176.83 176.45 1m72 n ASP 125 N -5.00 4.00 -4.52 3.07 8.00 -1.26 -4.91 116.55 115.92 1m72 n ASP 125 Ca 0.24 -2.54 -0.30 0.00 0.71 0.00 0.00 54.79 52.90 1m72 n ASP 125 Cb 0.70 -0.58 -0.11 0.00 -0.02 0.00 0.00 41.12 41.11 1m72 n ASP 125 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1m72 s ALA 126 N -2.07 2.79 0.13 2.24 0.00 -0.32 -1.17 121.76 123.37 1m72 s ALA 126 Ca 0.37 -1.24 -0.03 0.00 0.00 0.00 0.00 51.96 51.06 1m72 s ALA 126 Cb 0.27 -0.81 -0.10 0.00 0.00 0.00 0.00 23.12 22.48 1m72 s ALA 126 CO 0.13 0.61 1.30 -0.44 0.00 0.00 0.00 175.76 177.36 1m72 h ASP 127 N 3.99 0.45 -1.32 0.00 3.32 -0.34 -3.46 116.42 119.05 1m72 h ASP 127 Ca -0.49 -0.37 0.02 0.00 0.02 0.00 0.00 57.03 56.21 1m72 h ASP 127 Cb 1.16 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.57 1m72 h ASP 127 CO 0.49 1.19 0.12 0.00 -1.72 0.00 0.00 179.24 179.32 1m72 s LEU 129 N 0.00 1.97 -0.05 0.00 2.96 -1.04 -3.99 118.68 118.53 1m72 s LEU 129 Ca 0.05 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 1m72 s LEU 129 Cb -0.01 -0.03 0.01 0.00 0.50 0.00 0.00 46.19 46.66 1m72 s LEU 129 CO 0.02 0.00 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.74 1m72 s LEU 130 N 0.02 1.59 -0.08 -0.68 0.20 -0.75 -0.52 118.68 118.45 1m72 s LEU 130 Ca -0.00 -0.23 0.02 0.00 0.69 0.00 0.00 54.13 54.61 1m72 s LEU 130 Cb -0.01 -0.67 0.01 0.00 -0.43 0.00 0.00 46.19 45.09 1m72 s LEU 130 CO -0.00 0.02 -0.15 -0.69 -0.29 0.00 0.00 176.35 175.24 1m72 s VAL 131 N 0.63 1.38 0.04 1.68 1.01 -0.01 -1.45 120.40 123.68 1m72 s VAL 131 Ca -0.12 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.33 1m72 s VAL 131 Cb -0.14 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1m72 s VAL 131 CO 0.02 0.41 -0.21 0.00 0.00 0.00 0.00 175.10 175.32 1m72 s ALA 132 N 0.71 1.79 -0.03 5.51 0.00 0.13 -0.96 121.76 128.91 1m72 s ALA 132 Ca -0.13 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.77 1m72 s ALA 132 Cb -0.16 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.63 1m72 s ALA 132 CO 0.03 0.40 -0.03 0.08 0.00 0.00 0.00 175.76 176.24 1m72 s VAL 133 N -0.80 0.38 -0.22 0.00 1.01 0.11 -0.54 120.40 120.33 1m72 s VAL 133 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1m72 s VAL 133 Cb -0.09 -0.41 0.06 0.00 0.00 0.00 0.00 36.38 35.94 1m72 s VAL 133 CO 0.02 0.17 -0.05 -0.76 0.00 0.00 0.00 175.10 174.47 1m72 s LEU 134 N 0.72 2.40 0.00 3.92 1.43 -0.37 -0.72 118.68 126.06 1m72 s LEU 134 Ca -0.08 -1.09 0.00 0.00 -1.03 0.00 0.00 54.13 51.93 1m72 s LEU 134 Cb -0.12 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 44.97 1m72 s LEU 134 CO -0.00 -0.22 0.00 1.07 0.23 0.00 0.00 176.35 177.42 1m72 n THR 135 N 4.71 0.00 -3.45 5.49 5.66 -0.65 -1.14 114.28 124.90 1m72 n THR 135 Ca -0.12 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.54 1m72 n THR 135 Cb 0.45 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.17 1m72 n THR 135 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1m72 s HIS 136 N -5.13 3.55 0.30 1.09 3.76 -1.26 -4.08 115.29 113.51 1m72 s HIS 136 Ca 0.00 0.91 -0.04 0.00 -0.15 0.00 0.00 55.06 55.78 1m72 s HIS 136 Cb 0.00 -2.26 -0.01 0.00 1.11 0.00 0.00 32.58 31.42 1m72 s HIS 136 CO 0.00 0.41 0.41 0.20 -0.85 0.00 0.00 174.74 174.92 1m72 s GLY 137 N -1.93 1.31 0.34 -2.22 0.00 -1.25 -0.95 107.32 102.62 1m72 s GLY 137 Ca 0.39 -1.43 0.03 0.00 0.00 0.00 0.00 44.72 43.71 1m72 s GLY 137 CO 0.20 -1.00 0.37 -0.54 0.00 0.00 0.00 173.10 172.13 1m72 s GLU 138 N -3.46 1.83 0.05 2.90 2.02 -0.50 -4.34 118.70 117.20 1m72 s GLU 138 Ca 0.30 -1.91 -0.30 0.00 0.02 0.00 0.00 54.97 53.09 1m72 s GLU 138 Cb 0.01 0.38 -0.09 0.00 0.10 0.00 0.00 34.13 34.53 1m72 s GLU 138 CO 0.17 -0.72 1.95 -1.17 0.02 0.00 0.00 175.26 175.52 1m72 s LEU 139 N -3.31 4.43 -0.16 1.80 2.96 -1.08 -1.38 118.68 121.94 1m72 s LEU 139 Ca 0.36 2.69 0.00 0.00 -0.22 0.00 0.00 54.13 56.97 1m72 s LEU 139 Cb 0.01 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.17 1m72 s LEU 139 CO 0.24 -1.05 0.00 0.61 -1.32 0.00 0.00 176.35 174.83 1m72 n GLY 140 N 4.51 0.47 3.21 7.98 0.00 -1.26 -4.98 105.19 115.11 1m72 n GLY 140 Ca 0.20 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1m72 n GLY 140 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1m72 s MET 141 N -1.05 0.63 0.13 1.61 0.23 -0.48 -4.21 119.30 116.16 1m72 s MET 141 Ca 0.00 -0.24 0.08 0.00 -1.03 0.00 0.00 55.69 54.49 1m72 s MET 141 Cb 0.00 0.27 -0.04 0.00 -1.53 0.00 0.00 34.83 33.54 1m72 s MET 141 CO 0.00 -0.17 -0.18 -0.51 -2.03 0.00 0.00 175.02 172.14 1m72 s LEU 142 N -1.35 2.38 -0.15 0.18 1.43 0.03 -1.40 118.68 119.81 1m72 s LEU 142 Ca -0.14 -0.79 -0.05 0.00 -1.03 0.00 0.00 54.13 52.12 1m72 s LEU 142 Cb -0.06 -0.76 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 1m72 s LEU 142 CO 0.04 -0.04 0.04 -0.31 0.23 0.00 0.00 176.35 176.31 1m72 s TYR 143 N -1.78 3.23 0.11 0.29 1.51 -0.12 -1.00 117.35 119.59 1m72 s TYR 143 Ca 0.10 0.10 0.00 0.00 -1.01 0.00 0.00 57.07 56.27 1m72 s TYR 143 Cb -0.07 -1.97 0.02 0.00 -0.11 0.00 0.00 41.96 39.84 1m72 s TYR 143 CO 0.05 0.28 0.15 0.00 -1.11 0.00 0.00 175.55 174.92 1m72 n ALA 144 N 2.99 0.06 0.04 3.71 0.00 -0.32 -4.57 120.51 122.41 1m72 n ALA 144 Ca -0.18 -0.31 -0.02 0.00 0.00 0.00 0.00 53.44 52.93 1m72 n ALA 144 Cb 0.53 0.06 0.24 0.00 0.00 0.00 0.00 19.45 20.28 1m72 n ALA 144 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1m72 h LYS 145 N 0.00 0.42 0.00 0.00 3.64 -1.24 -3.36 116.57 116.02 1m72 h LYS 145 Ca -0.05 -0.14 -0.37 0.00 -1.27 0.00 0.00 60.65 58.81 1m72 h LYS 145 Cb 0.19 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.91 1m72 h LYS 145 CO 0.06 0.62 -2.40 -0.40 -2.27 0.00 0.00 179.45 175.06 1m72 n ASP 146 N -4.15 0.77 -2.48 4.20 5.75 -1.26 -1.45 116.55 117.92 1m72 n ASP 146 Ca -0.00 -0.05 -0.07 0.00 -0.01 0.00 0.00 54.79 54.66 1m72 n ASP 146 Cb 0.37 0.49 0.02 0.00 -1.03 0.00 0.00 41.12 40.98 1m72 n ASP 146 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1m72 n THR 147 N -2.92 0.00 -3.74 2.12 5.66 -1.26 -4.76 114.28 109.38 1m72 n THR 147 Ca -0.37 -0.78 -0.20 0.00 -3.05 0.00 0.00 64.05 59.64 1m72 n THR 147 Cb 1.09 0.79 -0.02 0.00 -1.55 0.00 0.00 70.33 70.64 1m72 n THR 147 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 1m72 s HIS 148 N -3.38 3.08 0.17 1.09 -3.43 -1.26 -1.17 115.29 110.38 1m72 s HIS 148 Ca 0.13 -0.21 -0.09 0.00 -0.80 0.00 0.00 55.06 54.09 1m72 s HIS 148 Cb -0.04 -1.80 -0.01 0.00 -1.43 0.00 0.00 32.58 29.31 1m72 s HIS 148 CO 0.09 0.18 0.29 1.52 -2.00 0.00 0.00 174.74 174.83 1m72 s TYR 149 N -2.19 0.37 0.10 0.38 -0.85 -0.17 -4.94 117.35 110.05 1m72 s TYR 149 Ca 0.41 -0.74 -0.30 0.00 -0.52 0.00 0.00 57.07 55.92 1m72 s TYR 149 Cb -0.08 -0.04 -0.06 0.00 0.38 0.00 0.00 41.96 42.17 1m72 s TYR 149 CO 0.28 -0.73 0.95 0.15 -1.52 0.00 0.00 175.55 174.68 1m72 s LYS 150 N -3.96 4.67 0.37 -3.49 1.02 -1.26 -0.79 119.74 116.30 1m72 s LYS 150 Ca 0.17 1.41 0.15 0.00 0.02 0.00 0.00 55.97 57.72 1m72 s LYS 150 Cb 0.03 -3.38 1.00 0.00 -0.52 0.00 0.00 37.83 34.96 1m72 s LYS 150 CO -0.00 0.20 1.78 -1.35 -0.92 0.00 0.00 175.35 175.06 1m72 h PRO 151 N 5.69 0.48 -0.18 -1.68 0.11 -1.90 0.42 132.00 134.93 1m72 h PRO 151 Ca -0.43 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.71 1m72 h PRO 151 Cb 1.21 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1m72 h PRO 151 CO 0.72 0.32 0.36 -0.44 -0.21 0.00 0.00 178.00 178.75 1m72 h ASP 152 N 0.50 0.00 0.25 -2.05 3.32 -1.92 0.56 116.42 117.07 1m72 h ASP 152 Ca 0.58 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.59 1m72 h ASP 152 Cb 1.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 1m72 h ASP 152 CO -0.31 0.00 -0.17 0.78 -1.72 0.00 0.00 179.24 177.82 1m72 h ASN 153 N 0.00 0.00 -0.55 6.45 -0.26 -1.30 -1.89 115.58 118.03 1m72 h ASN 153 Ca 0.09 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.72 1m72 h ASN 153 Cb 0.80 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.04 1m72 h ASN 153 CO -0.00 0.17 -0.06 -0.07 -1.06 0.00 0.00 177.43 176.41 1m72 h LEU 154 N 0.00 1.00 0.00 1.61 3.38 -1.07 -3.31 115.31 116.92 1m72 h LEU 154 Ca -0.00 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1m72 h LEU 154 Cb 0.33 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1m72 h LEU 154 CO 0.02 1.09 -1.23 -2.67 0.09 0.00 0.00 178.44 175.75 1m72 n TRP 155 N -4.20 0.00 -0.27 1.13 2.14 -1.18 -4.59 117.44 110.47 1m72 n TRP 155 Ca 0.02 0.00 0.08 0.00 2.07 0.00 0.00 57.50 59.66 1m72 n TRP 155 Cb 0.37 -0.14 0.21 0.00 -0.81 0.00 0.00 31.31 30.94 1m72 n TRP 155 CO 0.00 0.00 0.00 -0.92 2.07 0.00 0.00 177.69 178.84 1m72 h TYR 156 N 0.00 0.22 0.00 -2.67 3.20 -1.43 -1.20 116.97 115.09 1m72 h TYR 156 Ca 0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1m72 h TYR 156 Cb 0.60 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.90 1m72 h TYR 156 CO 0.00 -0.16 0.00 0.66 -1.64 0.00 0.00 178.16 177.02 1m72 n TYR 157 N -5.22 0.00 0.38 -3.82 4.02 -1.26 -3.78 117.16 107.47 1m72 n TYR 157 Ca 0.16 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 58.13 1m72 n TYR 157 Cb 0.53 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.95 1m72 n TYR 157 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1m72 n PHE 158 N -0.97 0.17 -0.66 -0.72 3.72 -0.45 -4.19 117.46 114.36 1m72 n PHE 158 Ca 0.20 -0.14 -0.31 0.00 -0.05 0.00 0.00 57.45 57.16 1m72 n PHE 158 Cb 0.09 -0.01 0.18 0.00 -0.94 0.00 0.00 39.48 38.80 1m72 n PHE 158 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1m72 n THR 159 N 0.83 0.00 -0.03 4.37 -2.24 -1.25 -4.50 114.28 111.46 1m72 n THR 159 Ca 0.10 -0.09 0.06 0.00 -2.27 0.00 0.00 64.05 61.86 1m72 n THR 159 Cb 0.40 -0.94 0.45 0.00 -2.10 0.00 0.00 70.33 68.13 1m72 n THR 159 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1m72 h ALA 160 N -1.97 1.80 -0.12 6.98 0.00 -1.57 -0.33 119.26 124.04 1m72 h ALA 160 Ca -0.46 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 1m72 h ALA 160 Cb 1.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1m72 h ALA 160 CO 0.41 0.14 -0.38 0.38 0.00 0.00 0.00 179.25 179.80 1m72 h ASP 161 N 0.51 0.27 0.88 0.00 2.03 -1.89 -2.77 116.42 115.45 1m72 h ASP 161 Ca 0.19 -0.11 -0.14 0.00 -0.73 0.00 0.00 57.03 56.25 1m72 h ASP 161 Cb 0.13 -0.08 -0.02 0.00 -0.83 0.00 0.00 39.33 38.53 1m72 h ASP 161 CO -0.05 0.64 -1.21 0.11 -1.03 0.00 0.00 179.24 177.70 1m72 h LYS 162 N 0.22 0.00 -2.23 4.15 1.57 -1.43 -3.41 116.57 115.44 1m72 h LYS 162 Ca 0.02 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.22 1m72 h LYS 162 Cb 0.78 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.70 1m72 h LYS 162 CO 0.06 0.30 -0.99 0.00 -0.57 0.00 0.00 179.45 178.25 1m72 h PRO 164 N 4.78 0.46 0.00 0.00 0.11 -1.72 -1.38 132.00 134.24 1m72 h PRO 164 Ca 0.17 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1m72 h PRO 164 Cb 0.87 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1m72 h PRO 164 CO 0.46 0.30 0.00 0.25 -0.21 0.00 0.00 178.00 178.81 1m72 n THR 165 N -4.47 0.43 0.28 -1.15 -2.24 -1.26 -1.06 114.28 104.80 1m72 n THR 165 Ca 0.09 0.11 0.04 0.00 -2.27 0.00 0.00 64.05 62.02 1m72 n THR 165 Cb 0.33 -0.87 0.05 0.00 -2.10 0.00 0.00 70.33 67.73 1m72 n THR 165 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1m72 n LEU 166 N -1.20 1.85 -4.70 3.22 4.77 -0.53 -3.86 117.00 116.54 1m72 n LEU 166 Ca 0.08 -1.15 -0.43 0.00 -0.03 0.00 0.00 56.01 54.48 1m72 n LEU 166 Cb 0.10 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1m72 n LEU 166 CO 0.10 0.39 1.35 0.00 -1.33 0.00 0.00 177.39 177.90 1m72 n ALA 167 N 0.44 2.43 -1.00 -1.18 0.00 -0.23 -1.28 120.51 119.70 1m72 n ALA 167 Ca 0.05 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1m72 n ALA 167 Cb 0.23 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.19 1m72 n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m72 n GLY 168 N 3.89 0.55 3.43 0.00 0.00 -1.26 -4.52 105.19 107.28 1m72 n GLY 168 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1m72 n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m72 s LYS 169 N -0.07 1.79 0.32 1.61 1.02 -0.40 -4.82 119.74 119.19 1m72 s LYS 169 Ca 0.00 -1.14 -0.28 0.00 0.02 0.00 0.00 55.97 54.57 1m72 s LYS 169 Cb 0.00 -2.06 -0.09 0.00 -0.52 0.00 0.00 37.83 35.15 1m72 s LYS 169 CO 0.00 0.50 1.15 -1.25 -0.92 0.00 0.00 175.35 174.83 1m72 s PRO 170 N -1.71 4.45 -0.22 -1.68 0.04 -1.26 -4.85 135.00 129.77 1m72 s PRO 170 Ca 0.15 1.87 0.02 0.00 0.04 0.00 0.00 61.00 63.08 1m72 s PRO 170 Cb -0.10 -3.04 0.05 0.00 0.04 0.00 0.00 34.50 31.45 1m72 s PRO 170 CO 0.06 0.02 -0.11 0.15 0.04 0.00 0.00 177.00 177.16 1m72 s LYS 171 N -1.73 2.14 -0.13 4.56 1.02 -0.24 -2.50 119.74 122.87 1m72 s LYS 171 Ca 0.48 -1.04 -0.04 0.00 0.02 0.00 0.00 55.97 55.40 1m72 s LYS 171 Cb -0.33 -2.62 -0.03 0.00 -0.52 0.00 0.00 37.83 34.33 1m72 s LYS 171 CO 0.42 -0.48 -0.00 -0.51 -0.92 0.00 0.00 175.35 173.86 1m72 s LEU 172 N 1.28 3.48 -0.05 3.17 1.43 0.32 0.20 118.68 128.51 1m72 s LEU 172 Ca -0.04 0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 1m72 s LEU 172 Cb -0.18 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.24 1m72 s LEU 172 CO -0.07 0.26 -0.07 -0.36 0.23 0.00 0.00 176.35 176.33 1m72 s PHE 173 N -0.14 0.96 -0.11 0.29 0.40 0.16 -0.83 117.98 118.70 1m72 s PHE 173 Ca 0.04 -0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.08 1m72 s PHE 173 Cb -0.13 -0.79 0.01 0.00 0.51 0.00 0.00 43.02 42.63 1m72 s PHE 173 CO 0.02 -0.22 -0.16 -0.06 0.70 0.00 0.00 175.22 175.51 1m72 s PHE 174 N 0.84 2.04 -0.15 0.36 0.40 -0.14 -0.57 117.98 120.76 1m72 s PHE 174 Ca -0.12 -0.98 0.00 0.00 -0.60 0.00 0.00 56.93 55.23 1m72 s PHE 174 Cb -0.15 -1.46 0.02 0.00 0.51 0.00 0.00 43.02 41.94 1m72 s PHE 174 CO 0.01 -0.50 -0.13 0.42 0.70 0.00 0.00 175.22 175.72 1m72 s ILE 175 N 1.02 1.51 -0.41 0.64 1.09 -0.03 -0.71 121.20 124.30 1m72 s ILE 175 Ca -0.06 -0.62 -0.09 0.00 -1.10 0.00 0.00 60.65 58.78 1m72 s ILE 175 Cb -0.15 -1.44 0.08 0.00 -1.06 0.00 0.00 42.46 39.89 1m72 s ILE 175 CO -0.02 0.42 0.25 -1.58 -0.10 0.00 0.00 174.94 173.91 1m72 s GLN 176 N 1.51 2.60 -0.27 2.79 2.00 0.10 -0.64 119.66 127.74 1m72 s GLN 176 Ca 0.04 -1.44 -0.29 0.00 -2.00 0.00 0.00 55.36 51.67 1m72 s GLN 176 Cb -0.13 -3.77 0.18 0.00 0.80 0.00 0.00 33.01 30.10 1m72 s GLN 176 CO -0.10 -0.94 1.31 0.00 -0.50 0.00 0.00 175.29 175.06 1m72 s ALA 177 N 1.42 -2.10 0.58 1.58 0.00 -1.26 -1.64 121.76 120.35 1m72 s ALA 177 Ca 0.03 1.86 -0.19 0.00 0.00 0.00 0.00 51.96 53.65 1m72 s ALA 177 Cb -0.23 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 1m72 s ALA 177 CO 0.02 -0.25 1.20 0.00 0.00 0.00 0.00 175.76 176.73 1m72 n GLN 179 N -1.50 2.34 -1.83 0.00 6.02 0.21 -2.74 117.38 119.89 1m72 n GLN 179 Ca 0.13 -2.90 0.00 0.00 -0.01 0.00 0.00 57.00 54.23 1m72 n GLN 179 Cb 0.50 -1.78 0.00 0.00 1.02 0.00 0.00 30.24 29.98 1m72 n GLN 179 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1m72 n GLY 180 N -0.84 0.13 0.57 1.08 0.00 -0.99 -0.06 105.19 105.09 1m72 n GLY 180 Ca 0.23 -1.56 0.06 0.00 0.00 0.00 0.00 46.02 44.76 1m72 n GLY 180 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1m72 n ASP 181 N 1.33 1.73 -4.91 1.61 5.68 -0.98 -3.10 116.55 117.91 1m72 n ASP 181 Ca 0.00 -3.53 -0.27 0.00 -0.50 0.00 0.00 54.79 50.49 1m72 n ASP 181 Cb 0.00 -0.48 -0.00 0.00 -1.14 0.00 0.00 41.12 39.49 1m72 n ASP 181 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1m72 s ARG 182 N -2.80 3.55 0.04 0.11 0.52 -0.05 -4.75 118.95 115.58 1m72 s ARG 182 Ca 0.35 0.16 0.09 0.00 -0.52 0.00 0.00 55.73 55.82 1m72 s ARG 182 Cb 0.34 -2.41 -0.03 0.00 0.52 0.00 0.00 34.95 33.38 1m72 s ARG 182 CO -0.06 -0.16 -0.25 -0.51 0.02 0.00 0.00 175.30 174.35 1m72 s LEU 183 N -4.63 2.17 -0.43 2.53 1.43 -1.26 -1.99 118.68 116.49 1m72 s LEU 183 Ca 0.47 -0.57 -0.07 0.00 -1.03 0.00 0.00 54.13 52.92 1m72 s LEU 183 Cb -0.10 -1.20 0.10 0.00 0.03 0.00 0.00 46.19 45.02 1m72 s LEU 183 CO 0.43 0.23 0.27 -0.62 0.23 0.00 0.00 176.35 176.89 1m72 s ASP 184 N -1.22 5.54 0.51 2.29 -1.08 -1.26 -4.95 116.67 116.51 1m72 s ASP 184 Ca 0.11 -1.79 0.34 0.00 -0.52 0.00 0.00 52.55 50.69 1m72 s ASP 184 Cb -0.10 -1.95 1.62 0.00 -1.46 0.00 0.00 42.92 41.04 1m72 s ASP 184 CO 0.02 -0.59 2.03 1.23 0.52 0.00 0.00 175.17 178.37 1m72 h GLY 185 N 8.32 0.00 -1.01 2.66 0.00 -1.89 0.17 103.07 111.33 1m72 h GLY 185 Ca -0.20 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.25 1m72 h GLY 185 CO 0.78 0.00 -0.18 0.61 0.00 0.00 0.00 176.54 177.74 1m72 n GLY 186 N -0.49 -1.59 3.19 4.60 0.00 -1.26 -4.63 105.19 105.00 1m72 n GLY 186 Ca -0.01 -1.41 -0.11 0.00 0.00 0.00 0.00 46.02 44.49 1m72 n GLY 186 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1m72 s ILE 187 N -1.56 0.09 -0.21 -0.61 2.07 -1.26 -5.08 121.20 114.63 1m72 s ILE 187 Ca 0.00 -0.72 -0.12 0.00 -1.41 0.00 0.00 60.65 58.40 1m72 s ILE 187 Cb 0.00 -0.74 -0.05 0.00 0.13 0.00 0.00 42.46 41.81 1m72 s ILE 187 CO 0.00 -0.40 0.23 -0.89 -1.91 0.00 0.00 174.94 171.97 1m72 s THR 188 N -2.00 5.33 -0.24 4.00 2.01 -1.26 -5.07 115.64 118.41 1m72 s THR 188 Ca -0.09 0.36 -0.12 0.00 0.31 0.00 0.00 61.69 62.15 1m72 s THR 188 Cb -0.04 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.86 1m72 s THR 188 CO -0.01 0.35 0.21 -0.76 -0.69 0.00 0.00 174.62 173.73 1m72 s LEU 189 N 0.86 4.11 0.05 4.42 1.43 -1.26 -5.09 118.68 123.20 1m72 s LEU 189 Ca 0.12 0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.43 1m72 s LEU 189 Cb -0.13 -2.19 -0.02 0.00 0.03 0.00 0.00 46.19 43.88 1m72 s LEU 189 CO 0.04 0.02 -0.14 -0.55 0.23 0.00 0.00 176.35 175.95 1m72 s SER 190 N 1.16 1.62 0.00 2.29 0.15 -1.26 -5.36 113.70 112.30 1m72 s SER 190 Ca 0.10 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1m72 s SER 190 Cb -0.14 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 1m72 s SER 190 CO 0.06 -0.00 0.00 0.54 1.20 0.00 0.00 173.24 175.04 1m72 n ARG 191 N 1.73 0.00 0.00 5.44 1.74 -1.26 -5.36 116.66 118.95 1m72 n ARG 191 Ca -0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 1m72 n ARG 191 Cb 0.55 -0.69 0.00 0.00 -1.02 0.00 0.00 32.46 31.30 1m72 n ARG 191 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1m72 n SER 201 N 0.15 0.00 -3.69 0.55 7.64 -1.26 -5.39 113.62 111.62 1m72 n SER 201 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 1m72 n SER 201 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1m72 n SER 201 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1m72 s TYR 202 N 0.00 -0.37 -0.14 1.43 -0.85 -1.26 -5.09 117.35 111.08 1m72 s TYR 202 Ca 0.00 0.68 -0.04 0.00 -0.52 0.00 0.00 57.07 57.19 1m72 s TYR 202 Cb 0.00 0.19 -0.03 0.00 0.38 0.00 0.00 41.96 42.50 1m72 s TYR 202 CO 0.00 -0.42 0.01 1.03 -1.52 0.00 0.00 175.55 174.65 1m72 s ARG 203 N -0.99 3.53 0.24 -3.49 0.52 -1.26 -5.08 118.95 112.41 1m72 s ARG 203 Ca -0.10 -0.42 0.10 0.00 -0.52 0.00 0.00 55.73 54.79 1m72 s ARG 203 Cb -0.03 -2.97 -0.05 0.00 0.52 0.00 0.00 34.95 32.42 1m72 s ARG 203 CO 0.05 0.42 -0.18 0.96 0.02 0.00 0.00 175.30 176.58 1m72 s ILE 204 N -0.09 2.10 0.35 1.52 -4.36 -1.26 -5.13 121.20 114.33 1m72 s ILE 204 Ca 0.04 -2.28 -0.26 0.00 -0.26 0.00 0.00 60.65 57.90 1m72 s ILE 204 Cb -0.13 -2.15 -0.09 0.00 1.25 0.00 0.00 42.46 41.34 1m72 s ILE 204 CO 0.02 -0.47 1.02 -2.84 0.24 0.00 0.00 174.94 172.91 1m72 s PRO 205 N -3.49 4.39 0.06 0.37 0.02 -1.26 -4.92 135.00 130.17 1m72 s PRO 205 Ca 0.25 1.50 0.18 0.00 0.02 0.00 0.00 61.00 62.95 1m72 s PRO 205 Cb -0.03 -2.74 0.74 0.00 0.02 0.00 0.00 34.50 32.49 1m72 s PRO 205 CO 0.11 0.06 1.56 1.33 -0.33 0.00 0.00 177.00 179.72 1m72 n VAL 206 N 0.36 0.89 0.62 3.83 0.24 -1.26 -2.04 118.33 120.98 1m72 n VAL 206 Ca 0.03 0.22 0.12 0.00 -2.04 0.00 0.00 64.34 62.67 1m72 n VAL 206 Cb 0.49 -1.00 0.19 0.00 -1.47 0.00 0.00 33.84 32.05 1m72 n VAL 206 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1m72 n HIS 207 N -1.68 0.30 -1.63 6.34 8.25 -1.26 -1.63 115.22 123.90 1m72 n HIS 207 Ca 0.03 -0.15 -0.32 0.00 -0.26 0.00 0.00 57.72 57.03 1m72 n HIS 207 Cb 0.20 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.36 1m72 n HIS 207 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1m72 s ALA 208 N -1.70 2.54 -0.97 -1.41 0.00 -0.86 -4.33 121.76 115.03 1m72 s ALA 208 Ca 0.35 0.30 -0.01 0.00 0.00 0.00 0.00 51.96 52.60 1m72 s ALA 208 Cb 0.22 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 20.09 1m72 s ALA 208 CO 0.31 -1.29 0.09 -0.25 0.00 0.00 0.00 175.76 174.63 1m72 n ASP 209 N -2.84 -3.85 -4.79 0.00 8.00 0.25 -4.90 116.55 108.42 1m72 n ASP 209 Ca 0.09 -0.05 -0.33 0.00 0.71 0.00 0.00 54.79 55.20 1m72 n ASP 209 Cb 0.53 -2.98 -0.07 0.00 -0.02 0.00 0.00 41.12 38.58 1m72 n ASP 209 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1m72 s PHE 210 N -2.67 3.32 -0.12 1.24 0.08 -1.26 -1.08 117.98 117.50 1m72 s PHE 210 Ca 0.05 0.24 0.00 0.00 0.12 0.00 0.00 56.93 57.34 1m72 s PHE 210 Cb -0.02 -1.76 0.02 0.00 -0.57 0.00 0.00 43.02 40.69 1m72 s PHE 210 CO 0.06 0.57 -0.10 -1.17 -0.10 0.00 0.00 175.22 174.47 1m72 s LEU 211 N -1.66 1.38 -0.22 -0.37 2.96 0.13 -1.17 118.68 119.74 1m72 s LEU 211 Ca 0.22 -0.36 0.00 0.00 -0.22 0.00 0.00 54.13 53.77 1m72 s LEU 211 Cb -0.12 -0.95 0.06 0.00 0.50 0.00 0.00 46.19 45.67 1m72 s LEU 211 CO 0.13 -0.09 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.40 1m72 s ILE 212 N 1.55 1.33 -0.27 6.68 1.01 0.77 0.39 121.20 132.66 1m72 s ILE 212 Ca 0.03 -1.03 -0.06 0.00 0.00 0.00 0.00 60.65 59.59 1m72 s ILE 212 Cb -0.13 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.73 1m72 s ILE 212 CO -0.08 -0.07 0.04 0.00 0.00 0.00 0.00 174.94 174.83 1m72 s ALA 213 N 1.49 2.99 -0.11 9.38 0.00 0.26 -0.04 121.76 135.74 1m72 s ALA 213 Ca -0.04 -1.38 -0.06 0.00 0.00 0.00 0.00 51.96 50.48 1m72 s ALA 213 Cb -0.18 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 1m72 s ALA 213 CO -0.07 -0.80 0.10 -0.06 0.00 0.00 0.00 175.76 174.94 1m72 s PHE 214 N 1.48 3.48 0.00 0.00 0.40 -0.25 -0.85 117.98 122.26 1m72 s PHE 214 Ca 0.03 0.44 0.28 0.00 -0.60 0.00 0.00 56.93 57.08 1m72 s PHE 214 Cb -0.16 -1.91 1.48 0.00 0.51 0.00 0.00 43.02 42.94 1m72 s PHE 214 CO 0.01 0.66 1.85 0.66 0.70 0.00 0.00 175.22 179.10 1m72 h SER 215 N 5.07 0.00 -5.13 1.36 4.64 -1.17 0.97 113.55 119.28 1m72 h SER 215 Ca -0.54 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.71 1m72 h SER 215 Cb 1.22 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.18 1m72 h SER 215 CO 0.57 0.00 -0.24 0.28 -0.87 0.00 0.00 176.83 176.58 1m72 s THR 216 N -3.69 0.10 0.48 2.95 -1.32 -1.26 -3.57 115.64 109.34 1m72 s THR 216 Ca -0.03 -0.96 -0.22 0.00 -1.21 0.00 0.00 61.69 59.28 1m72 s THR 216 Cb 0.08 -1.33 -0.07 0.00 -1.51 0.00 0.00 72.50 69.67 1m72 s THR 216 CO 0.27 -0.47 1.16 -0.69 -2.21 0.00 0.00 174.62 172.68 1m72 s VAL 217 N -3.85 3.08 0.30 5.08 1.01 -1.19 -4.18 120.40 120.64 1m72 s VAL 217 Ca 0.06 0.78 -0.29 0.00 0.00 0.00 0.00 61.98 62.52 1m72 s VAL 217 Cb 0.03 -3.38 -0.13 0.00 0.00 0.00 0.00 36.38 32.91 1m72 s VAL 217 CO -0.10 -0.04 1.30 -2.65 0.00 0.00 0.00 175.10 173.61 1m72 n PRO 218 N -0.69 2.00 0.00 2.72 -0.02 -1.26 -1.51 135.00 136.23 1m72 n PRO 218 Ca 0.08 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1m72 n PRO 218 Cb 0.49 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1m72 n PRO 218 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1m72 n GLY 219 N 1.35 1.82 3.79 -1.23 0.00 0.91 -4.97 105.19 106.86 1m72 n GLY 219 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1m72 n GLY 219 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1m72 s TYR 220 N -2.34 2.93 0.69 1.61 1.51 -0.57 -0.87 117.35 120.32 1m72 s TYR 220 Ca 0.00 -0.22 -0.12 0.00 -1.01 0.00 0.00 57.07 55.71 1m72 s TYR 220 Cb 0.00 -1.52 0.01 0.00 -0.11 0.00 0.00 41.96 40.34 1m72 s TYR 220 CO 0.00 0.41 1.08 -0.06 -1.11 0.00 0.00 175.55 175.87 1m72 s PHE 221 N -2.26 2.84 -0.02 2.71 2.99 -0.84 0.65 117.98 124.05 1m72 s PHE 221 Ca 0.36 1.50 0.05 0.00 0.00 0.00 0.00 56.93 58.84 1m72 s PHE 221 Cb -0.06 -3.01 -0.01 0.00 0.00 0.00 0.00 43.02 39.94 1m72 s PHE 221 CO 0.24 -1.46 -0.17 0.45 -0.00 0.00 0.00 175.22 174.28 1m72 s SER 222 N -3.26 2.00 -0.02 1.36 0.15 -1.26 -4.80 113.70 107.86 1m72 s SER 222 Ca 0.62 -0.31 -0.06 0.00 0.70 0.00 0.00 55.95 56.89 1m72 s SER 222 Cb -0.16 -0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 63.80 1m72 s SER 222 CO 0.49 0.19 0.23 0.26 1.20 0.00 0.00 173.24 175.62 1m72 s TRP 223 N -0.29 3.58 -0.05 3.44 0.52 -1.26 -4.77 118.94 120.11 1m72 s TRP 223 Ca 0.04 0.54 0.01 0.00 0.02 0.00 0.00 56.10 56.71 1m72 s TRP 223 Cb -0.08 -1.96 0.02 0.00 -1.15 0.00 0.00 33.47 30.31 1m72 s TRP 223 CO -0.00 0.65 -0.06 0.50 0.02 0.00 0.00 176.95 178.05 1m72 s ARG 224 N -1.63 1.01 -0.17 4.98 3.52 -1.26 -1.66 118.95 123.75 1m72 s ARG 224 Ca 0.25 -0.17 -0.12 0.00 -0.13 0.00 0.00 55.73 55.56 1m72 s ARG 224 Cb -0.13 -0.96 -0.05 0.00 -1.56 0.00 0.00 34.95 32.26 1m72 s ARG 224 CO 0.14 -0.06 0.22 1.21 -0.81 0.00 0.00 175.30 176.00 1m72 s ASN 225 N 0.86 6.34 0.63 -2.12 3.84 -0.04 -4.90 114.94 119.55 1m72 s ASN 225 Ca -0.12 0.40 0.40 0.00 0.21 0.00 0.00 52.86 53.75 1m72 s ASN 225 Cb -0.15 -2.14 2.07 0.00 -0.55 0.00 0.00 41.25 40.49 1m72 s ASN 225 CO 0.01 0.16 2.25 0.71 -2.79 0.00 0.00 177.10 177.44 1m72 h THR 226 N 4.62 0.08 0.00 -5.21 1.35 -1.86 0.28 112.91 112.17 1m72 h THR 226 Ca -0.42 -0.17 -0.21 0.00 -0.55 0.00 0.00 66.41 65.06 1m72 h THR 226 Cb 1.16 1.15 -0.04 0.00 -1.73 0.00 0.00 68.15 68.69 1m72 h THR 226 CO 0.74 0.01 -1.80 0.35 -0.25 0.00 0.00 175.52 174.58 1m72 n THR 227 N -3.17 0.80 1.02 6.82 -2.24 -1.26 -3.41 114.28 112.83 1m72 n THR 227 Ca -0.02 -0.49 0.11 0.00 -2.27 0.00 0.00 64.05 61.38 1m72 n THR 227 Cb 0.14 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 1m72 n THR 227 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1m72 n ARG 228 N -2.43 0.76 0.00 -0.78 1.74 -1.14 -4.95 116.66 109.86 1m72 n ARG 228 Ca -0.19 -0.62 0.00 0.00 -0.77 0.00 0.00 57.85 56.28 1m72 n ARG 228 Cb 0.88 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.83 1m72 n ARG 228 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m72 n GLY 229 N 1.44 -3.21 3.76 -0.13 0.00 0.97 -4.77 105.19 103.26 1m72 n GLY 229 Ca 0.08 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.92 1m72 n GLY 229 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1m72 s SER 230 N -1.34 5.15 0.16 1.61 1.04 -1.26 -0.86 113.70 118.20 1m72 s SER 230 Ca 0.00 2.16 -0.15 0.00 0.48 0.00 0.00 55.95 58.45 1m72 s SER 230 Cb 0.00 -2.57 0.05 0.00 0.10 0.00 0.00 66.02 63.60 1m72 s SER 230 CO 0.00 -1.61 1.81 -0.50 0.98 0.00 0.00 173.24 173.92 1m72 h TRP 231 N 0.44 0.65 0.08 5.02 6.55 -1.69 -0.96 115.95 126.03 1m72 h TRP 231 Ca -0.48 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.36 1m72 h TRP 231 Cb 1.27 -0.21 -0.00 0.00 -0.86 0.00 0.00 29.16 29.35 1m72 h TRP 231 CO 0.51 0.44 -0.06 0.35 -1.05 0.00 0.00 178.44 178.63 1m72 h PHE 232 N 0.67 -0.15 -0.66 0.49 3.57 -1.91 -0.28 116.94 118.67 1m72 h PHE 232 Ca 0.18 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 1m72 h PHE 232 Cb -0.03 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1m72 h PHE 232 CO -0.03 -0.09 0.08 0.52 -2.23 0.00 0.00 178.31 176.56 1m72 h MET 233 N -0.14 1.11 -0.19 1.11 2.86 -1.91 0.10 114.93 117.87 1m72 h MET 233 Ca -0.00 -0.31 0.03 0.00 -2.06 0.00 0.00 59.70 57.35 1m72 h MET 233 Cb 0.13 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 1m72 h MET 233 CO -0.01 1.03 0.01 1.96 1.06 0.00 0.00 176.91 180.97 1m72 h GLN 234 N 1.03 0.08 -0.37 1.72 4.20 -1.01 0.65 115.11 121.40 1m72 h GLN 234 Ca 0.20 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.85 1m72 h GLN 234 Cb 0.48 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1m72 h GLN 234 CO 0.02 0.05 0.02 0.00 -0.67 0.00 0.00 178.83 178.25 1m72 h ALA 235 N 1.15 0.50 -0.16 3.87 0.00 -0.81 -2.17 119.26 121.65 1m72 h ALA 235 Ca 0.09 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1m72 h ALA 235 Cb 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1m72 h ALA 235 CO -0.14 0.25 0.05 1.25 0.00 0.00 0.00 179.25 180.66 1m72 h LEU 236 N 0.47 0.05 -0.76 0.00 5.85 -0.61 -0.22 115.31 120.09 1m72 h LEU 236 Ca 0.11 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1m72 h LEU 236 Cb 0.44 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1m72 h LEU 236 CO 0.02 0.05 0.32 0.00 -0.34 0.00 0.00 178.44 178.49 1m72 h GLU 238 N 1.09 0.69 -0.46 0.00 5.08 -1.08 -0.35 114.58 119.55 1m72 h GLU 238 Ca 0.26 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1m72 h GLU 238 Cb 0.19 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1m72 h GLU 238 CO -0.02 0.76 0.11 1.49 -1.00 0.00 0.00 179.01 180.34 1m72 h GLU 239 N 0.52 0.74 -0.86 2.33 4.57 -0.70 -0.55 114.58 120.63 1m72 h GLU 239 Ca 0.12 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 1m72 h GLU 239 Cb 0.43 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 1m72 h GLU 239 CO 0.01 0.73 0.45 -0.07 -1.18 0.00 0.00 179.01 178.95 1m72 h LEU 240 N 0.62 1.10 -0.56 1.64 3.38 -0.90 0.13 115.31 120.72 1m72 h LEU 240 Ca 0.14 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1m72 h LEU 240 Cb 0.33 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1m72 h LEU 240 CO 0.00 0.90 0.17 0.03 0.09 0.00 0.00 178.44 179.63 1m72 h ARG 241 N 1.21 0.87 -0.03 1.13 3.08 -0.66 0.25 114.38 120.22 1m72 h ARG 241 Ca 0.30 -0.19 -0.11 0.00 0.07 0.00 0.00 59.98 60.04 1m72 h ARG 241 Cb 0.07 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.00 1m72 h ARG 241 CO -0.04 0.79 -0.43 -0.92 -1.07 0.00 0.00 179.97 178.30 1m72 h TYR 242 N 0.78 0.49 0.00 3.04 3.20 -0.72 -3.41 116.97 120.35 1m72 h TYR 242 Ca 0.18 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1m72 h TYR 242 Cb 0.29 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.50 1m72 h TYR 242 CO 0.02 1.03 -0.22 0.00 -1.64 0.00 0.00 178.16 177.35 1m72 n ALA 243 N -2.55 1.60 0.22 1.82 0.00 0.43 -4.87 120.51 117.16 1m72 n ALA 243 Ca -0.09 -0.91 0.18 0.00 0.00 0.00 0.00 53.44 52.62 1m72 n ALA 243 Cb 0.57 -0.25 0.84 0.00 0.00 0.00 0.00 19.45 20.62 1m72 n ALA 243 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1m72 h GLY 244 N 0.00 0.00 1.61 0.00 0.00 -0.44 -0.60 103.07 103.63 1m72 h GLY 244 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 1m72 h GLY 244 CO 0.00 0.00 -1.19 -0.84 0.00 0.00 0.00 176.54 174.51 1m72 h THR 245 N 0.00 1.26 0.00 4.70 2.02 -1.90 -3.37 112.91 115.62 1m72 h THR 245 Ca 0.09 -2.95 -0.08 0.00 0.77 0.00 0.00 66.41 64.23 1m72 h THR 245 Cb 0.65 2.60 -0.02 0.00 -1.74 0.00 0.00 68.15 69.65 1m72 h THR 245 CO -0.00 0.72 -1.41 -0.62 0.37 0.00 0.00 175.52 174.57 1m72 n GLU 246 N -3.21 2.02 -3.12 6.66 1.02 -0.66 -1.08 120.64 122.27 1m72 n GLU 246 Ca -0.06 -0.02 -0.38 0.00 -0.02 0.00 0.00 57.16 56.68 1m72 n GLU 246 Cb 0.94 -1.17 -0.06 0.00 -0.02 0.00 0.00 31.44 31.13 1m72 n GLU 246 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1m72 s ARG 247 N -2.27 4.36 0.59 3.49 0.52 -0.33 -4.96 118.95 120.35 1m72 s ARG 247 Ca -0.03 0.93 -0.19 0.00 -0.52 0.00 0.00 55.73 55.92 1m72 s ARG 247 Cb 0.03 -3.16 -0.03 0.00 0.52 0.00 0.00 34.95 32.31 1m72 s ARG 247 CO 0.28 0.55 1.23 0.16 0.02 0.00 0.00 175.30 177.54 1m72 s ASP 248 N -1.27 5.14 0.28 0.23 1.47 -1.26 -4.60 116.67 116.66 1m72 s ASP 248 Ca 0.35 2.45 0.02 0.00 1.18 0.00 0.00 52.55 56.55 1m72 s ASP 248 Cb -0.20 -2.60 0.59 0.00 -0.34 0.00 0.00 42.92 40.36 1m72 s ASP 248 CO 0.22 -1.63 1.81 -0.29 0.68 0.00 0.00 175.17 175.97 1m72 h ILE 249 N 0.91 0.85 -0.39 2.11 6.09 -1.20 0.11 117.51 125.99 1m72 h ILE 249 Ca -0.51 -0.31 -0.13 0.00 -1.37 0.00 0.00 64.86 62.54 1m72 h ILE 249 Cb 1.30 -0.13 -0.01 0.00 0.47 0.00 0.00 36.82 38.45 1m72 h ILE 249 CO 0.55 0.16 -0.28 -0.07 -3.07 0.00 0.00 178.15 175.44 1m72 h LEU 250 N 0.90 0.87 -0.34 2.19 3.38 -1.90 0.15 115.31 120.56 1m72 h LEU 250 Ca 0.51 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1m72 h LEU 250 Cb 0.59 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1m72 h LEU 250 CO -0.30 1.10 -0.06 0.74 0.09 0.00 0.00 178.44 180.01 1m72 h THR 251 N 0.72 1.27 -0.44 0.22 2.02 -1.77 -0.42 112.91 114.51 1m72 h THR 251 Ca 0.08 -1.09 0.03 0.00 0.77 0.00 0.00 66.41 66.20 1m72 h THR 251 Cb 0.83 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 1m72 h THR 251 CO 0.07 0.36 0.24 0.25 0.37 0.00 0.00 175.52 176.81 1m72 h LEU 252 N 0.43 0.37 -1.17 2.58 6.46 -0.77 -1.89 115.31 121.32 1m72 h LEU 252 Ca 0.09 0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.79 1m72 h LEU 252 Cb 0.54 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 1m72 h LEU 252 CO 0.03 0.26 -0.34 -0.07 -0.62 0.00 0.00 178.44 177.70 1m72 h LEU 253 N 0.48 0.00 -0.81 2.25 3.38 -0.61 -0.62 115.31 119.37 1m72 h LEU 253 Ca 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1m72 h LEU 253 Cb 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1m72 h LEU 253 CO -0.11 0.34 0.43 0.74 0.09 0.00 0.00 178.44 179.94 1m72 h THR 254 N 0.00 1.24 0.00 0.22 2.02 -0.30 0.43 112.91 116.53 1m72 h THR 254 Ca -0.00 -0.63 -0.13 0.00 0.77 0.00 0.00 66.41 66.42 1m72 h THR 254 Cb 0.76 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1m72 h THR 254 CO 0.04 0.28 -0.61 -0.26 0.37 0.00 0.00 175.52 175.35 1m72 h PHE 255 N 1.13 0.00 -0.30 3.16 0.05 -0.80 -0.67 116.94 119.52 1m72 h PHE 255 Ca 0.28 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 62.06 1m72 h PHE 255 Cb 0.06 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 37.99 1m72 h PHE 255 CO 0.01 0.61 0.13 0.28 -0.18 0.00 0.00 178.31 179.15 1m72 h VAL 256 N 0.00 1.17 -0.48 -0.55 2.07 -0.52 0.26 116.25 118.21 1m72 h VAL 256 Ca -0.01 -0.51 0.03 0.00 0.82 0.00 0.00 66.70 67.03 1m72 h VAL 256 Cb 1.23 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 1m72 h VAL 256 CO 0.08 0.18 0.28 0.00 0.02 0.00 0.00 177.57 178.12 1m72 h GLN 258 N 0.55 0.70 -0.37 0.00 4.15 -0.90 0.34 115.11 119.58 1m72 h GLN 258 Ca 0.20 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 1m72 h GLN 258 Cb 0.04 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 1m72 h GLN 258 CO -0.10 0.46 0.17 0.87 -1.93 0.00 0.00 178.83 178.30 1m72 h LYS 259 N 0.72 0.53 -0.50 1.69 1.57 -0.05 -0.22 116.57 120.32 1m72 h LYS 259 Ca 0.25 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 1m72 h LYS 259 Cb 0.04 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1m72 h LYS 259 CO -0.11 0.48 0.08 0.28 -0.57 0.00 0.00 179.45 179.61 1m72 h VAL 260 N 0.45 1.25 -0.11 0.50 2.07 -0.63 -1.27 116.25 118.51 1m72 h VAL 260 Ca 0.13 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.64 1m72 h VAL 260 Cb 0.13 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1m72 h VAL 260 CO -0.01 0.33 -0.22 0.00 0.02 0.00 0.00 177.57 177.68 1m72 h ALA 261 N 0.97 1.42 0.00 1.67 0.00 -0.19 -3.31 119.26 119.81 1m72 h ALA 261 Ca 0.15 -0.26 -0.35 0.00 0.00 0.00 0.00 54.91 54.45 1m72 h ALA 261 Cb 0.40 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1m72 h ALA 261 CO 0.01 0.41 -2.32 1.28 0.00 0.00 0.00 179.25 178.63 1m72 n LEU 262 N -4.20 1.81 -0.30 0.00 4.77 -0.11 -4.67 117.00 114.30 1m72 n LEU 262 Ca -0.01 -0.08 0.12 0.00 -0.03 0.00 0.00 56.01 56.01 1m72 n LEU 262 Cb 0.33 -0.33 0.24 0.00 -2.33 0.00 0.00 43.42 41.33 1m72 n LEU 262 CO 0.39 0.73 0.52 0.47 -1.33 0.00 0.00 177.39 178.16 1m72 n ASP 263 N -3.00 1.31 -4.32 -1.43 8.00 -0.50 -4.90 116.55 111.71 1m72 n ASP 263 Ca -0.37 -1.06 -0.28 0.00 0.71 0.00 0.00 54.79 53.79 1m72 n ASP 263 Cb 1.01 0.27 -0.14 0.00 -0.02 0.00 0.00 41.12 42.24 1m72 n ASP 263 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1m72 s PHE 264 N -2.53 2.14 -0.23 1.24 0.08 -1.25 -5.07 117.98 112.36 1m72 s PHE 264 Ca 0.22 -0.40 -0.14 0.00 0.12 0.00 0.00 56.93 56.72 1m72 s PHE 264 Cb 0.19 -1.25 0.07 0.00 -0.57 0.00 0.00 43.02 41.46 1m72 s PHE 264 CO 0.55 0.17 0.58 -2.00 -0.10 0.00 0.00 175.22 174.42 1m72 s GLU 265 N -1.45 0.60 0.40 0.44 2.12 -1.26 -4.73 118.70 114.81 1m72 s GLU 265 Ca 0.11 1.02 -0.26 0.00 0.36 0.00 0.00 54.97 56.19 1m72 s GLU 265 Cb -0.10 0.11 -0.09 0.00 0.26 0.00 0.00 34.13 34.32 1m72 s GLU 265 CO 0.03 -0.14 1.30 -1.54 -0.54 0.00 0.00 175.26 174.37 1m72 s SER 266 N 1.36 6.37 -0.34 -1.70 1.04 0.54 -4.83 113.70 116.13 1m72 s SER 266 Ca -0.08 2.66 0.04 0.00 0.48 0.00 0.00 55.95 59.04 1m72 s SER 266 Cb -0.06 -2.64 0.10 0.00 0.10 0.00 0.00 66.02 63.52 1m72 s SER 266 CO -0.14 -0.81 0.06 0.21 0.98 0.00 0.00 173.24 173.53 1m72 s ASN 267 N -0.71 4.75 -0.41 7.02 3.04 -1.26 -0.42 114.94 126.96 1m72 s ASN 267 Ca 0.56 -2.18 0.07 0.00 0.04 0.00 0.00 52.86 51.35 1m72 s ASN 267 Cb -0.38 -1.62 0.23 0.00 -1.54 0.00 0.00 41.25 37.94 1m72 s ASN 267 CO 0.49 -0.38 0.54 0.00 -3.04 0.00 0.00 177.10 174.71 1m72 n ALA 268 N 4.23 1.94 0.30 1.71 0.00 -1.26 -5.00 120.51 122.43 1m72 n ALA 268 Ca 0.04 -3.05 0.17 0.00 0.00 0.00 0.00 53.44 50.60 1m72 n ALA 268 Cb 0.42 -0.88 0.80 0.00 0.00 0.00 0.00 19.45 19.79 1m72 n ALA 268 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1m72 h PRO 269 N 4.33 0.00 0.00 0.00 0.13 -1.94 -1.83 132.00 132.68 1m72 h PRO 269 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1m72 h PRO 269 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1m72 h PRO 269 CO 0.42 0.00 0.00 0.38 -0.23 0.00 0.00 178.00 178.57 1m72 h ASP 270 N 0.00 0.00 -2.85 1.44 2.03 -2.01 -3.40 116.42 111.63 1m72 h ASP 270 Ca 0.00 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.72 1m72 h ASP 270 Cb 0.26 0.00 -0.39 0.00 -0.83 0.00 0.00 39.33 38.36 1m72 h ASP 270 CO 0.00 0.00 -0.81 -0.55 -1.03 0.00 0.00 179.24 176.85 1m72 s SER 271 N -4.69 3.31 0.25 4.15 0.15 -0.69 -5.02 113.70 111.17 1m72 s SER 271 Ca 0.08 -2.04 -0.06 0.00 0.70 0.00 0.00 55.95 54.63 1m72 s SER 271 Cb 0.10 -0.55 0.48 0.00 -1.71 0.00 0.00 66.02 64.34 1m72 s SER 271 CO 0.54 -0.34 1.64 0.00 1.20 0.00 0.00 173.24 176.28 1m72 h ALA 272 N 7.34 0.86 -0.84 5.45 0.00 -1.78 -0.36 119.26 129.93 1m72 h ALA 272 Ca -0.02 0.24 0.15 0.00 0.00 0.00 0.00 54.91 55.28 1m72 h ALA 272 Cb 0.97 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 1m72 h ALA 272 CO 0.36 -0.43 0.55 1.98 0.00 0.00 0.00 179.25 181.71 1m72 h MET 273 N 0.12 0.52 -0.21 0.00 1.85 -1.95 -1.09 114.93 114.18 1m72 h MET 273 Ca 0.43 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.49 1m72 h MET 273 Cb 0.78 -0.12 0.00 0.00 0.43 0.00 0.00 31.60 32.69 1m72 h MET 273 CO -0.66 0.35 0.00 -1.33 -0.40 0.00 0.00 176.91 174.86 1m72 n MET 274 N -4.52 2.08 -3.69 0.39 2.00 -0.17 -4.94 117.12 108.27 1m72 n MET 274 Ca 0.16 -1.61 -0.37 0.00 0.00 0.00 0.00 57.70 55.88 1m72 n MET 274 Cb 0.53 -1.46 -0.06 0.00 0.00 0.00 0.00 33.22 32.23 1m72 n MET 274 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 1m72 s HIS 275 N -1.74 3.65 -1.36 2.03 2.46 -0.41 -4.22 115.29 115.69 1m72 s HIS 275 Ca 0.35 0.74 -0.08 0.00 0.47 0.00 0.00 55.06 56.53 1m72 s HIS 275 Cb 0.20 -2.12 0.02 0.00 -0.13 0.00 0.00 32.58 30.55 1m72 s HIS 275 CO 0.29 0.66 1.13 1.04 -2.47 0.00 0.00 174.74 175.39 1m72 n GLN 276 N 2.02 -7.44 -3.30 2.88 6.02 0.44 -4.94 117.38 113.06 1m72 n GLN 276 Ca -0.17 0.80 -0.26 0.00 -0.01 0.00 0.00 57.00 57.36 1m72 n GLN 276 Cb 0.54 -5.82 -0.02 0.00 1.02 0.00 0.00 30.24 25.95 1m72 n GLN 276 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1m72 s GLN 277 N -6.21 3.56 0.44 -1.09 -1.52 -1.26 -4.71 119.66 108.87 1m72 s GLN 277 Ca 0.50 -0.13 0.06 0.00 -1.95 0.00 0.00 55.36 53.83 1m72 s GLN 277 Cb -0.23 -2.64 -0.05 0.00 -0.22 0.00 0.00 33.01 29.88 1m72 s GLN 277 CO 0.74 0.15 0.06 0.15 -0.25 0.00 0.00 175.29 176.15 1m72 s LYS 278 N -3.98 2.09 -0.25 2.91 -0.14 0.60 -0.34 119.74 120.63 1m72 s LYS 278 Ca 0.42 -2.12 -0.23 0.00 -1.36 0.00 0.00 55.97 52.69 1m72 s LYS 278 Cb -0.10 -1.71 0.06 0.00 -1.68 0.00 0.00 37.83 34.40 1m72 s LYS 278 CO 0.34 -0.17 0.65 -1.14 -0.76 0.00 0.00 175.35 174.28 1m72 s GLN 279 N -3.82 0.76 -0.03 1.68 0.74 -1.26 -4.24 119.66 113.49 1m72 s GLN 279 Ca 0.29 0.91 0.04 0.00 0.05 0.00 0.00 55.36 56.65 1m72 s GLN 279 Cb 0.06 0.37 -0.00 0.00 1.10 0.00 0.00 33.01 34.54 1m72 s GLN 279 CO 0.15 -0.09 -0.14 0.54 -0.55 0.00 0.00 175.29 175.21 1m72 s VAL 280 N 0.36 1.12 0.91 1.34 0.11 -1.26 -3.11 120.40 119.86 1m72 s VAL 280 Ca -0.00 -0.56 -0.12 0.00 -2.93 0.00 0.00 61.98 58.36 1m72 s VAL 280 Cb -0.05 -0.97 0.13 0.00 -1.53 0.00 0.00 36.38 33.97 1m72 s VAL 280 CO 0.01 0.33 1.13 -2.84 -3.33 0.00 0.00 175.10 170.39 1m72 s PRO 281 N -0.00 1.19 -0.22 1.54 0.02 -1.23 -3.19 135.00 133.11 1m72 s PRO 281 Ca -0.01 0.36 -0.01 0.00 0.02 0.00 0.00 61.00 61.36 1m72 s PRO 281 Cb -0.09 -1.84 0.06 0.00 0.02 0.00 0.00 34.50 32.65 1m72 s PRO 281 CO 0.01 -2.18 -0.02 0.00 -0.33 0.00 0.00 177.00 174.48 1m72 s ILE 283 N 1.59 5.02 -0.25 0.00 -1.09 -1.26 -1.09 121.20 124.12 1m72 s ILE 283 Ca -0.04 -0.20 -0.05 0.00 -2.23 0.00 0.00 60.65 58.14 1m72 s ILE 283 Cb -0.18 -3.52 -0.00 0.00 -1.58 0.00 0.00 42.46 37.18 1m72 s ILE 283 CO -0.07 0.09 0.00 -0.89 -1.23 0.00 0.00 174.94 172.84 1m72 s THR 284 N 1.69 3.61 -0.07 2.92 2.01 0.94 -5.00 115.64 121.74 1m72 s THR 284 Ca 0.06 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 61.55 1m72 s THR 284 Cb -0.17 -2.72 0.00 0.00 0.01 0.00 0.00 72.50 69.62 1m72 s THR 284 CO 0.09 0.31 -0.19 -0.55 -0.69 0.00 0.00 174.62 173.59 1m72 s SER 285 N 1.49 2.45 -0.08 3.53 0.15 -1.26 -0.16 113.70 119.81 1m72 s SER 285 Ca 0.05 -0.43 0.12 0.00 0.70 0.00 0.00 55.95 56.39 1m72 s SER 285 Cb -0.15 -1.01 0.24 0.00 -1.71 0.00 0.00 66.02 63.39 1m72 s SER 285 CO -0.01 0.12 1.16 0.23 1.20 0.00 0.00 173.24 175.94 1m72 n MET 286 N 3.51 2.26 -2.00 5.44 2.81 -0.32 -5.04 117.12 123.78 1m72 n MET 286 Ca -0.20 -2.23 -0.42 0.00 -1.81 0.00 0.00 57.70 53.04 1m72 n MET 286 Cb 0.52 -1.38 -0.03 0.00 -0.71 0.00 0.00 33.22 31.63 1m72 n MET 286 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1m72 s LEU 287 N -2.09 4.38 0.00 4.03 1.43 -1.23 -0.59 118.68 124.61 1m72 s LEU 287 Ca 0.23 2.59 0.18 0.00 -1.03 0.00 0.00 54.13 56.10 1m72 s LEU 287 Cb 0.19 -3.60 0.10 0.00 0.03 0.00 0.00 46.19 42.90 1m72 s LEU 287 CO 0.04 -0.75 1.01 0.35 0.23 0.00 0.00 176.35 177.24 1m72 n THR 288 N 3.31 0.00 -4.06 5.49 -2.24 -1.26 -4.88 114.28 110.65 1m72 n THR 288 Ca 0.11 -0.45 -0.10 0.00 -2.27 0.00 0.00 64.05 61.33 1m72 n THR 288 Cb 0.40 1.32 -0.08 0.00 -2.10 0.00 0.00 70.33 69.87 1m72 n THR 288 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1m72 s ARG 289 N -1.61 1.17 0.38 -0.78 0.52 -1.26 -5.01 118.95 112.36 1m72 s ARG 289 Ca 0.19 -1.34 -0.22 0.00 -0.52 0.00 0.00 55.73 53.84 1m72 s ARG 289 Cb 0.14 0.34 -0.10 0.00 0.52 0.00 0.00 34.95 35.85 1m72 s ARG 289 CO 0.28 -0.41 0.92 -0.51 0.02 0.00 0.00 175.30 175.60 1m72 s LEU 290 N -3.03 4.08 -0.26 2.53 1.43 0.10 -4.80 118.68 118.74 1m72 s LEU 290 Ca 0.24 1.69 0.02 0.00 -1.03 0.00 0.00 54.13 55.06 1m72 s LEU 290 Cb 0.04 -4.32 0.06 0.00 0.03 0.00 0.00 46.19 42.01 1m72 s LEU 290 CO 0.04 -0.25 -0.10 -0.22 0.23 0.00 0.00 176.35 176.06 1m72 s LEU 291 N -2.79 3.26 -0.16 1.79 2.96 -1.26 -1.81 118.68 120.67 1m72 s LEU 291 Ca 0.57 -1.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.14 1m72 s LEU 291 Cb -0.12 -1.47 0.02 0.00 0.50 0.00 0.00 46.19 45.12 1m72 s LEU 291 CO 0.17 -0.20 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.10 1m72 s VAL 292 N 1.17 2.07 0.03 1.68 1.01 -1.26 -0.51 120.40 124.58 1m72 s VAL 292 Ca -0.08 -0.96 -0.24 0.00 0.00 0.00 0.00 61.98 60.70 1m72 s VAL 292 Cb -0.20 -1.85 -0.17 0.00 0.00 0.00 0.00 36.38 34.17 1m72 s VAL 292 CO -0.05 0.54 1.47 -0.26 0.00 0.00 0.00 175.10 176.80 1m72 h PHE 293 N 7.65 0.05 -2.70 5.22 0.04 -1.73 -3.46 116.94 122.02 1m72 h PHE 293 Ca -0.40 -0.01 0.29 0.00 2.80 0.00 0.00 57.97 60.65 1m72 h PHE 293 Cb 1.16 -0.01 -0.13 0.00 2.20 0.00 0.00 35.95 39.17 1m72 h PHE 293 CO 0.47 0.32 -0.81 0.41 -0.60 0.00 0.00 178.31 178.10 1m72 n GLY 294 N -0.32 -2.73 3.75 -1.45 0.00 -0.24 -4.76 105.19 99.43 1m72 n GLY 294 Ca -0.07 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.39 1m72 n GLY 294 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1m72 s LYS 295 N -3.32 4.31 0.28 1.61 2.20 -1.26 -4.90 119.74 118.66 1m72 s LYS 295 Ca 0.00 0.67 -0.29 0.00 -0.36 0.00 0.00 55.97 55.99 1m72 s LYS 295 Cb 0.00 -3.36 -0.10 0.00 -1.51 0.00 0.00 37.83 32.86 1m72 s LYS 295 CO 0.00 0.32 1.22 0.15 -0.36 0.00 0.00 175.35 176.68 1m72 s LYS 296 N 0.01 4.48 0.18 4.03 -0.14 -1.26 -4.91 119.74 122.13 1m72 s LYS 296 Ca 0.30 2.00 -0.20 0.00 -1.36 0.00 0.00 55.97 56.72 1m72 s LYS 296 Cb -0.17 -3.15 0.13 0.00 -1.68 0.00 0.00 37.83 32.95 1m72 s LYS 296 CO 0.16 -0.04 1.60 1.96 -0.76 0.00 0.00 175.35 178.27 1m72 h GLN 297 N 4.05 -0.15 0.00 1.68 4.20 -1.90 -1.69 115.11 121.30 1m72 h GLN 297 Ca -0.47 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1m72 h GLN 297 Cb 1.22 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1m72 h GLN 297 CO 0.69 -0.10 0.00 -1.13 -0.67 0.00 0.00 178.83 177.62 1m72 n SER 298 N -5.43 0.00 -4.56 1.46 3.41 -1.26 -4.80 113.62 102.44 1m72 n SER 298 Ca 0.04 -1.41 -0.41 0.00 -0.26 0.00 0.00 58.87 56.83 1m72 n SER 298 Cb 0.34 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 1m72 n SER 298 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1m72 s HIS 299 N -2.00 2.21 0.00 7.33 2.46 -0.64 -5.15 115.29 119.50 1m72 s HIS 299 Ca 0.11 0.18 0.00 0.00 0.47 0.00 0.00 55.06 55.83 1m72 s HIS 299 Cb 0.05 -4.51 0.00 0.00 -0.13 0.00 0.00 32.58 27.99 1m72 s HIS 299 CO 0.09 -2.06 0.00 1.28 -2.47 0.00 0.00 174.74 171.58