#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 0.55 0.21 1.55 -7.23 -1.26 -5.12 120.40 109.10 1m72 s VAL 41 Ca 0.00 -0.14 0.05 0.00 -1.81 0.00 0.00 61.98 60.08 1m72 s VAL 41 Cb 0.00 -0.57 -0.05 0.00 0.56 0.00 0.00 36.38 36.32 1m72 s VAL 41 CO 0.00 0.22 -0.06 0.00 -0.31 0.00 0.00 175.10 174.95 1m72 s ALA 42 N 0.84 1.86 0.24 1.32 0.00 -1.26 -5.04 121.76 119.72 1m72 s ALA 42 Ca -0.12 -1.71 -0.30 0.00 0.00 0.00 0.00 51.96 49.84 1m72 s ALA 42 Cb -0.14 0.22 -0.09 0.00 0.00 0.00 0.00 23.12 23.10 1m72 s ALA 42 CO 0.00 -0.12 1.29 0.50 0.00 0.00 0.00 175.76 177.43 1m72 s ARG 43 N -3.77 4.41 -0.20 0.00 3.52 -1.26 -4.95 118.95 116.70 1m72 s ARG 43 Ca 0.25 2.07 -0.29 0.00 -0.13 0.00 0.00 55.73 57.62 1m72 s ARG 43 Cb 0.03 -3.16 -0.01 0.00 -1.56 0.00 0.00 34.95 30.25 1m72 s ARG 43 CO 0.07 -0.18 1.28 1.41 -0.81 0.00 0.00 175.30 177.07 1m72 s MET 44 N -0.69 4.15 0.16 5.12 -2.45 -1.26 -4.89 119.30 119.43 1m72 s MET 44 Ca 0.53 1.57 0.23 0.00 -1.25 0.00 0.00 55.69 56.77 1m72 s MET 44 Cb -0.37 -3.80 0.19 0.00 1.25 0.00 0.00 34.83 32.10 1m72 s MET 44 CO 0.42 -0.82 1.20 -1.00 1.05 0.00 0.00 175.02 175.87 1m72 h PRO 45 N 8.52 0.00 -3.23 4.11 0.13 -1.91 -3.48 132.00 136.14 1m72 h PRO 45 Ca -0.26 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.82 1m72 h PRO 45 Cb 1.10 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.10 1m72 h PRO 45 CO 0.99 0.00 0.02 0.54 -0.23 0.00 0.00 178.00 179.32 1m72 s VAL 46 N -3.25 0.05 0.61 1.56 0.11 -1.26 -4.70 120.40 113.52 1m72 s VAL 46 Ca 0.03 -0.38 -0.15 0.00 -2.93 0.00 0.00 61.98 58.55 1m72 s VAL 46 Cb 0.12 -1.10 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 1m72 s VAL 46 CO 0.75 -0.21 1.07 1.51 -3.33 0.00 0.00 175.10 174.90 1m72 s ASP 47 N -2.74 5.61 0.24 3.54 -4.77 -1.26 -4.94 116.67 112.35 1m72 s ASP 47 Ca 0.02 1.86 -0.14 0.00 -3.30 0.00 0.00 52.55 50.99 1m72 s ASP 47 Cb 0.01 -2.54 0.30 0.00 -1.09 0.00 0.00 42.92 39.60 1m72 s ASP 47 CO -0.12 -1.29 1.51 -1.14 0.70 0.00 0.00 175.17 174.84 1m72 n ARG 48 N -2.14 -0.19 -0.69 2.11 0.63 -1.26 -1.94 116.66 113.19 1m72 n ARG 48 Ca 0.09 1.50 0.09 0.00 -0.92 0.00 0.00 57.85 58.61 1m72 n ARG 48 Cb 0.53 -2.23 0.37 0.00 0.45 0.00 0.00 32.46 31.57 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 -5.48 5.01 -4.74 6.15 3.02 -1.26 -5.00 115.26 112.97 1m72 n ASN 49 Ca 0.12 -2.58 -0.42 0.00 -0.03 0.00 0.00 54.58 51.67 1m72 n ASN 49 Cb 0.42 -0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 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 -2.10 3.77 -0.86 5.41 0.00 -0.82 -4.90 121.76 122.26 1m72 s ALA 50 Ca 0.52 1.55 0.27 0.00 0.00 0.00 0.00 51.96 54.31 1m72 s ALA 50 Cb 0.35 -3.65 0.95 0.00 0.00 0.00 0.00 23.12 20.77 1m72 s ALA 50 CO 0.22 -0.96 1.79 -0.35 0.00 0.00 0.00 175.76 176.47 1m72 n PRO 51 N 2.50 0.13 -4.39 0.00 -0.04 -1.26 -4.82 135.00 127.12 1m72 n PRO 51 Ca 0.09 0.10 -0.29 0.00 -0.04 0.00 0.00 63.50 63.36 1m72 n PRO 51 Cb 0.37 -1.64 -0.13 0.00 -0.04 0.00 0.00 33.50 32.06 1m72 n PRO 51 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1m72 s TYR 52 N -3.05 2.32 0.69 0.54 1.51 -1.26 -0.44 117.35 117.65 1m72 s TYR 52 Ca 0.12 -0.37 -0.12 0.00 -1.01 0.00 0.00 57.07 55.68 1m72 s TYR 52 Cb 0.16 -1.24 0.01 0.00 -0.11 0.00 0.00 41.96 40.77 1m72 s TYR 52 CO 0.58 0.36 1.07 0.71 -1.11 0.00 0.00 175.55 177.16 1m72 s TYR 53 N -1.13 2.88 -0.84 2.71 2.02 0.17 -4.83 117.35 118.33 1m72 s TYR 53 Ca 0.15 1.49 -0.23 0.00 -0.37 0.00 0.00 57.07 58.11 1m72 s TYR 53 Cb -0.10 -2.99 0.07 0.00 -0.40 0.00 0.00 41.96 38.54 1m72 s TYR 53 CO 0.07 -1.42 1.22 1.21 -1.57 0.00 0.00 175.55 175.06 1m72 s ASN 54 N -3.33 6.36 -0.50 2.29 2.47 -1.26 -4.86 114.94 116.11 1m72 s ASN 54 Ca 0.61 -1.22 -0.00 0.00 0.42 0.00 0.00 52.86 52.67 1m72 s ASN 54 Cb -0.16 -2.49 0.42 0.00 -1.45 0.00 0.00 41.25 37.57 1m72 s ASN 54 CO 0.50 -1.48 1.95 0.23 -3.72 0.00 0.00 177.10 174.58 1m72 n MET 55 N 8.20 2.28 -0.08 0.43 2.81 -1.26 -4.40 117.12 125.10 1m72 n MET 55 Ca 0.14 -2.63 0.05 0.00 -1.81 0.00 0.00 57.70 53.45 1m72 n MET 55 Cb 0.49 -2.03 0.09 0.00 -0.71 0.00 0.00 33.22 31.05 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 -0.60 2.38 -4.61 7.83 3.02 -1.26 -4.92 115.26 117.10 1m72 n ASN 56 Ca 0.51 -2.50 -0.30 0.00 -0.03 0.00 0.00 54.58 52.26 1m72 n ASN 56 Cb 0.88 -0.23 0.19 0.00 -0.61 0.00 0.00 39.78 40.01 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 -1.86 1.54 0.42 3.10 3.76 -1.26 -4.87 115.29 116.11 1m72 s HIS 57 Ca 0.18 1.58 0.15 0.00 -0.15 0.00 0.00 55.06 56.82 1m72 s HIS 57 Cb 0.15 -3.25 1.03 0.00 1.11 0.00 0.00 32.58 31.61 1m72 s HIS 57 CO 0.03 -3.16 1.91 -0.22 -0.85 0.00 0.00 174.74 172.46 1m72 h LYS 58 N -2.12 0.43 -5.59 1.40 3.64 -1.93 -3.42 116.57 108.98 1m72 h LYS 58 Ca -0.49 -0.03 -0.48 0.00 -1.27 0.00 0.00 60.65 58.38 1m72 h LYS 58 Cb 1.29 -0.10 -0.24 0.00 -0.41 0.00 0.00 32.23 32.78 1m72 h LYS 58 CO 0.45 0.29 -0.80 -1.01 -2.27 0.00 0.00 179.45 176.10 1m72 s HIS 59 N -5.44 1.41 0.07 1.91 3.76 -0.09 -5.05 115.29 111.87 1m72 s HIS 59 Ca -0.08 -0.39 -0.22 0.00 -0.15 0.00 0.00 55.06 54.22 1m72 s HIS 59 Cb 0.21 -0.82 -0.12 0.00 1.11 0.00 0.00 32.58 32.96 1m72 s HIS 59 CO 0.77 0.08 1.56 -0.09 -0.85 0.00 0.00 174.74 176.21 1m72 h ARG 60 N 4.63 0.20 0.00 1.40 9.65 -1.81 0.20 114.38 128.64 1m72 h ARG 60 Ca -0.41 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 1m72 h ARG 60 Cb 1.18 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 1m72 h ARG 60 CO 0.42 0.36 0.00 0.41 2.80 0.00 0.00 179.97 183.96 1m72 n GLY 61 N -0.52 0.87 3.90 2.80 0.00 -1.26 -0.93 105.19 110.04 1m72 n GLY 61 Ca -0.05 -2.05 -0.29 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.19 3.66 -0.14 1.61 -1.94 -1.25 -1.27 119.30 118.78 1m72 s MET 62 Ca 0.00 0.11 -0.04 0.00 -1.71 0.00 0.00 55.69 54.05 1m72 s MET 62 Cb 0.00 -2.59 0.05 0.00 2.01 0.00 0.00 34.83 34.31 1m72 s MET 62 CO 0.00 0.16 0.07 0.00 -0.01 0.00 0.00 175.02 175.24 1m72 s ALA 63 N -2.15 0.49 -0.18 3.03 0.00 -0.79 -1.63 121.76 120.53 1m72 s ALA 63 Ca 0.46 -0.26 -0.02 0.00 0.00 0.00 0.00 51.96 52.13 1m72 s ALA 63 Cb -0.11 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 1m72 s ALA 63 CO 0.30 -1.01 -0.08 0.96 0.00 0.00 0.00 175.76 175.94 1m72 s ILE 64 N 2.09 3.33 -0.25 0.00 -4.36 -0.39 -1.01 121.20 120.61 1m72 s ILE 64 Ca 0.02 -0.54 -0.04 0.00 -0.26 0.00 0.00 60.65 59.83 1m72 s ILE 64 Cb -0.15 -2.46 0.00 0.00 1.25 0.00 0.00 42.46 41.10 1m72 s ILE 64 CO -0.08 0.47 -0.01 -0.63 0.24 0.00 0.00 174.94 174.94 1m72 s ILE 65 N 0.86 3.44 -0.48 8.37 1.01 -0.42 -1.49 121.20 132.48 1m72 s ILE 65 Ca -0.02 -0.66 -0.16 0.00 0.00 0.00 0.00 60.65 59.81 1m72 s ILE 65 Cb -0.15 -2.66 0.07 0.00 0.01 0.00 0.00 42.46 39.73 1m72 s ILE 65 CO 0.01 0.28 0.45 -0.36 0.00 0.00 0.00 174.94 175.32 1m72 s PHE 66 N 1.45 3.20 -0.27 3.97 0.40 0.21 -0.72 117.98 126.23 1m72 s PHE 66 Ca 0.04 -0.84 -0.10 0.00 -0.60 0.00 0.00 56.93 55.43 1m72 s PHE 66 Cb -0.16 -3.26 -0.05 0.00 0.51 0.00 0.00 43.02 40.06 1m72 s PHE 66 CO -0.02 -0.86 0.16 1.21 0.70 0.00 0.00 175.22 176.41 1m72 s ASN 67 N 2.64 5.82 -0.31 1.36 3.04 -0.56 -1.30 114.94 125.63 1m72 s ASN 67 Ca 0.07 -0.04 0.03 0.00 0.04 0.00 0.00 52.86 52.95 1m72 s ASN 67 Cb -0.23 -2.07 0.08 0.00 -1.54 0.00 0.00 41.25 37.49 1m72 s ASN 67 CO 0.08 -0.03 -0.01 -1.00 -3.04 0.00 0.00 177.10 173.10 1m72 s HIS 68 N 1.63 3.51 -0.19 0.43 3.76 -0.37 0.19 115.29 124.24 1m72 s HIS 68 Ca 0.07 -2.59 0.17 0.00 -0.15 0.00 0.00 55.06 52.56 1m72 s HIS 68 Cb -0.15 -2.47 -0.25 0.00 1.11 0.00 0.00 32.58 30.82 1m72 s HIS 68 CO 0.08 -0.91 0.09 -1.91 -0.85 0.00 0.00 174.74 171.25 1m72 n GLU 69 N 4.38 0.68 -4.30 1.40 2.13 -1.26 -4.60 120.64 119.07 1m72 n GLU 69 Ca -0.05 0.02 -0.18 0.00 0.66 0.00 0.00 57.16 57.60 1m72 n GLU 69 Cb 0.42 -1.54 -0.14 0.00 0.27 0.00 0.00 31.44 30.46 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 -2.50 0.94 0.06 4.31 3.76 -1.26 0.45 115.29 121.04 1m72 s HIS 70 Ca -0.11 -0.29 0.07 0.00 -0.15 0.00 0.00 55.06 54.58 1m72 s HIS 70 Cb 0.06 -0.57 -0.03 0.00 1.11 0.00 0.00 32.58 33.15 1m72 s HIS 70 CO 0.82 -0.01 -0.19 -0.06 -0.85 0.00 0.00 174.74 174.46 1m72 s PHE 71 N -0.65 1.62 -2.15 1.40 0.40 -1.26 -4.78 117.98 112.56 1m72 s PHE 71 Ca 0.00 -0.38 0.18 0.00 -0.60 0.00 0.00 56.93 56.13 1m72 s PHE 71 Cb -0.06 -0.94 0.78 0.00 0.51 0.00 0.00 43.02 43.31 1m72 s PHE 71 CO 0.00 0.10 1.54 -0.25 0.70 0.00 0.00 175.22 177.32 1m72 n ASP 72 N 1.64 1.08 -4.56 1.36 8.00 -0.35 -4.69 116.55 119.02 1m72 n ASP 72 Ca -0.18 -1.66 -0.41 0.00 0.71 0.00 0.00 54.79 53.25 1m72 n ASP 72 Cb 0.54 -0.08 -0.08 0.00 -0.02 0.00 0.00 41.12 41.48 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 -1.84 5.08 0.21 0.53 1.09 -1.25 -4.98 121.20 120.03 1m72 s ILE 73 Ca 0.28 0.34 -0.16 0.00 -1.10 0.00 0.00 60.65 60.01 1m72 s ILE 73 Cb 0.15 -3.89 0.22 0.00 -1.06 0.00 0.00 42.46 37.88 1m72 s ILE 73 CO 0.22 -0.12 1.43 1.57 -0.10 0.00 0.00 174.94 177.95 1m72 n HIS 74 N 5.59 0.02 0.23 3.97 -0.00 -1.26 -1.06 115.22 122.71 1m72 n HIS 74 Ca -0.06 1.14 0.04 0.00 -0.00 0.00 0.00 57.72 58.83 1m72 n HIS 74 Cb 0.49 -0.84 0.17 0.00 -0.00 0.00 0.00 29.99 29.81 1m72 n HIS 74 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1m72 n SER 75 N -5.36 0.05 -4.61 0.26 3.41 -1.26 -4.67 113.62 101.44 1m72 n SER 75 Ca 0.09 0.52 -0.37 0.00 -0.26 0.00 0.00 58.87 58.85 1m72 n SER 75 Cb 0.37 -0.52 -0.10 0.00 -0.26 0.00 0.00 64.21 63.69 1m72 n SER 75 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1m72 s LEU 76 N -3.11 3.98 0.56 1.04 1.43 -0.23 -5.09 118.68 117.26 1m72 s LEU 76 Ca 0.03 0.03 -0.09 0.00 -1.03 0.00 0.00 54.13 53.07 1m72 s LEU 76 Cb 0.04 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1m72 s LEU 76 CO 0.13 0.03 0.93 -1.59 0.23 0.00 0.00 176.35 176.08 1m72 s LYS 77 N 1.29 3.58 0.62 1.70 0.00 -1.26 -4.64 119.74 121.03 1m72 s LYS 77 Ca 0.07 0.53 -0.19 0.00 0.00 0.00 0.00 55.97 56.38 1m72 s LYS 77 Cb -0.14 -2.20 -0.02 0.00 0.00 0.00 0.00 37.83 35.47 1m72 s LYS 77 CO 0.06 -0.42 1.28 -1.12 0.00 0.00 0.00 175.35 175.15 1m72 s SER 78 N -4.15 4.83 -0.96 0.03 0.01 -1.26 -4.78 113.70 107.42 1m72 s SER 78 Ca 0.52 2.59 -0.01 0.00 1.31 0.00 0.00 55.95 60.36 1m72 s SER 78 Cb -0.11 -2.62 0.30 0.00 0.21 0.00 0.00 66.02 63.81 1m72 s SER 78 CO 0.50 -1.85 1.37 0.54 0.41 0.00 0.00 173.24 174.21 1m72 n ARG 79 N -1.71 4.21 -1.69 12.44 1.74 0.17 -5.01 116.66 126.82 1m72 n ARG 79 Ca 0.15 -4.62 -0.45 0.00 -0.77 0.00 0.00 57.85 52.16 1m72 n ARG 79 Cb 0.48 -2.44 -0.04 0.00 -1.02 0.00 0.00 32.46 29.44 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 0.88 0.08 0.00 0.55 -1.04 -1.26 -1.72 114.28 111.77 1m72 n THR 80 Ca 0.31 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 1m72 n THR 80 Cb 0.34 -1.75 0.00 0.00 -1.82 0.00 0.00 70.33 67.10 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 3.73 1.72 0.25 3.41 0.00 -1.18 -4.04 105.19 109.08 1m72 n GLY 81 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 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 1.22 0.00 2.61 1.03 -1.65 -2.16 112.91 113.95 1m72 h THR 82 Ca 0.00 -0.95 -0.02 0.00 -0.01 0.00 0.00 66.41 65.43 1m72 h THR 82 Cb 0.00 1.13 -0.00 0.00 -1.07 0.00 0.00 68.15 68.21 1m72 h THR 82 CO 0.00 0.31 -0.09 0.78 -0.01 0.00 0.00 175.52 176.50 1m72 h ASN 83 N 0.42 0.00 -0.17 0.00 2.35 -1.92 0.11 115.58 116.37 1m72 h ASN 83 Ca 0.08 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.77 1m72 h ASN 83 Cb 0.45 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 1m72 h ASN 83 CO 0.03 0.09 -0.13 0.58 -1.65 0.00 0.00 177.43 176.35 1m72 h VAL 84 N 0.00 1.33 -0.19 2.81 2.07 -1.76 -0.29 116.25 120.23 1m72 h VAL 84 Ca -0.00 -1.24 0.05 0.00 0.82 0.00 0.00 66.70 66.32 1m72 h VAL 84 Cb 0.18 1.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 1m72 h VAL 84 CO 0.01 0.37 -0.13 0.44 0.02 0.00 0.00 177.57 178.28 1m72 h ASP 85 N 0.04 -0.41 -0.55 0.57 5.19 -1.08 0.14 116.42 120.32 1m72 h ASP 85 Ca 0.03 0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1m72 h ASP 85 Cb 0.64 0.22 -0.03 0.00 0.18 0.00 0.00 39.33 40.34 1m72 h ASP 85 CO 0.03 -0.17 0.32 -1.28 -3.12 0.00 0.00 179.24 175.03 1m72 h SER 86 N -0.12 0.66 -0.13 6.45 0.87 -0.70 0.34 113.55 120.92 1m72 h SER 86 Ca 0.11 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1m72 h SER 86 Cb 0.29 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1m72 h SER 86 CO -0.27 0.53 0.00 0.44 -0.53 0.00 0.00 176.83 177.00 1m72 h ASP 87 N 0.73 0.22 -0.26 6.23 3.32 -0.86 -1.72 116.42 124.09 1m72 h ASP 87 Ca 0.19 -0.31 0.06 0.00 0.02 0.00 0.00 57.03 56.99 1m72 h ASP 87 Cb -0.00 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.43 1m72 h ASP 87 CO -0.04 0.48 -0.11 -1.13 -1.72 0.00 0.00 179.24 176.72 1m72 h ASN 88 N -0.04 -0.38 -0.34 6.45 -0.73 -0.45 -0.44 115.58 119.65 1m72 h ASN 88 Ca 0.04 0.10 -0.03 0.00 1.87 0.00 0.00 56.30 58.27 1m72 h ASN 88 Cb 0.36 0.22 -0.01 0.00 0.27 0.00 0.00 38.32 39.16 1m72 h ASN 88 CO 0.01 -0.14 0.09 0.25 -0.37 0.00 0.00 177.43 177.27 1m72 h LEU 89 N -0.07 0.51 -0.63 0.34 5.85 -0.30 -2.46 115.31 118.55 1m72 h LEU 89 Ca 0.14 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.68 1m72 h LEU 89 Cb 0.28 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 1m72 h LEU 89 CO -0.31 0.60 0.36 -1.28 -0.34 0.00 0.00 178.44 177.47 1m72 h SER 90 N 0.40 0.54 0.17 1.25 0.87 -0.99 -1.01 113.55 114.78 1m72 h SER 90 Ca 0.11 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1m72 h SER 90 Cb 0.28 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1m72 h SER 90 CO -0.00 0.36 -0.08 0.11 -0.53 0.00 0.00 176.83 176.68 1m72 h LYS 91 N 0.67 -0.22 -0.27 2.24 1.57 -0.87 -1.39 116.57 118.30 1m72 h LYS 91 Ca 0.28 0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.97 1m72 h LYS 91 Cb 0.14 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1m72 h LYS 91 CO -0.16 -0.08 -0.26 -0.24 -0.57 0.00 0.00 179.45 178.14 1m72 h VAL 92 N -0.31 1.27 -0.42 0.50 3.04 -1.26 -2.47 116.25 116.59 1m72 h VAL 92 Ca -0.02 -1.31 -0.11 0.00 -1.01 0.00 0.00 66.70 64.25 1m72 h VAL 92 Cb 0.24 1.34 -0.02 0.00 -2.01 0.00 0.00 31.29 30.85 1m72 h VAL 92 CO 0.04 0.42 -0.18 -0.07 -1.01 0.00 0.00 177.57 176.77 1m72 h LEU 93 N 0.47 0.81 -0.75 3.16 3.38 -1.07 -1.87 115.31 119.44 1m72 h LEU 93 Ca 0.07 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.81 1m72 h LEU 93 Cb 0.70 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1m72 h LEU 93 CO 0.05 0.98 0.46 0.11 0.09 0.00 0.00 178.44 180.13 1m72 h LYS 94 N 0.71 0.85 0.00 1.13 1.57 -0.93 0.17 116.57 120.07 1m72 h LYS 94 Ca 0.11 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1m72 h LYS 94 Cb 0.68 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1m72 h LYS 94 CO 0.05 0.56 -0.06 1.79 -0.57 0.00 0.00 179.45 181.22 1m72 h THR 95 N 0.87 0.25 -0.01 -0.16 1.35 -0.92 0.19 112.91 114.49 1m72 h THR 95 Ca 0.32 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1m72 h THR 95 Cb 0.09 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1m72 h THR 95 CO -0.14 0.06 -0.10 0.18 -0.25 0.00 0.00 175.52 175.27 1m72 n LEU 96 N -3.31 0.61 0.00 3.87 4.77 0.52 -4.94 117.00 118.52 1m72 n LEU 96 Ca -0.01 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1m72 n LEU 96 Cb 0.24 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1m72 n LEU 96 CO 0.27 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1m72 n GLY 97 N 1.24 0.45 3.77 -0.72 0.00 0.05 -4.92 105.19 105.06 1m72 n GLY 97 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 2.95 -0.49 1.61 0.40 -1.01 -4.25 117.98 115.19 1m72 s PHE 98 Ca 0.00 1.54 -0.21 0.00 -0.60 0.00 0.00 56.93 57.66 1m72 s PHE 98 Cb 0.00 -3.38 0.04 0.00 0.51 0.00 0.00 43.02 40.19 1m72 s PHE 98 CO 0.00 -1.43 0.72 0.21 0.70 0.00 0.00 175.22 175.42 1m72 s LYS 99 N -2.54 3.24 0.04 0.44 2.20 -0.39 -4.46 119.74 118.27 1m72 s LYS 99 Ca 0.61 -0.54 -0.20 0.00 -0.36 0.00 0.00 55.97 55.48 1m72 s LYS 99 Cb -0.29 -4.03 -0.06 0.00 -1.51 0.00 0.00 37.83 31.93 1m72 s LYS 99 CO 0.36 -1.22 0.59 0.08 -0.36 0.00 0.00 175.35 174.80 1m72 s VAL 100 N 3.05 4.80 -0.08 4.02 1.01 -1.26 -1.89 120.40 130.05 1m72 s VAL 100 Ca 0.22 1.25 -0.01 0.00 0.00 0.00 0.00 61.98 63.44 1m72 s VAL 100 Cb -0.16 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.33 1m72 s VAL 100 CO 0.16 0.50 -0.02 -0.89 0.00 0.00 0.00 175.10 174.85 1m72 s THR 101 N -0.72 0.56 -0.20 3.92 2.01 -0.18 -4.97 115.64 116.06 1m72 s THR 101 Ca 0.30 -0.01 -0.09 0.00 0.31 0.00 0.00 61.69 62.20 1m72 s THR 101 Cb -0.19 -0.66 -0.05 0.00 0.01 0.00 0.00 72.50 71.61 1m72 s THR 101 CO 0.18 0.28 0.11 -0.69 -0.69 0.00 0.00 174.62 173.82 1m72 s VAL 102 N 1.76 5.23 -0.38 3.82 1.01 -1.26 -1.31 120.40 129.27 1m72 s VAL 102 Ca 0.03 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 1m72 s VAL 102 Cb -0.13 -3.38 0.09 0.00 0.00 0.00 0.00 36.38 32.96 1m72 s VAL 102 CO -0.05 0.44 0.15 -0.36 0.00 0.00 0.00 175.10 175.28 1m72 s PHE 103 N 0.39 3.49 -0.03 5.22 0.40 0.10 -4.97 117.98 122.58 1m72 s PHE 103 Ca 0.07 -2.21 -0.20 0.00 -0.60 0.00 0.00 56.93 53.99 1m72 s PHE 103 Cb -0.11 -2.89 -0.05 0.00 0.51 0.00 0.00 43.02 40.48 1m72 s PHE 103 CO -0.01 -0.91 0.57 -1.25 0.70 0.00 0.00 175.22 174.31 1m72 s PRO 104 N 1.19 4.30 -1.55 0.24 0.04 -1.26 -1.50 135.00 136.46 1m72 s PRO 104 Ca 0.04 0.67 -0.07 0.00 0.04 0.00 0.00 61.00 61.68 1m72 s PRO 104 Cb -0.22 -3.36 0.06 0.00 0.04 0.00 0.00 34.50 31.03 1m72 s PRO 104 CO -0.03 0.33 0.46 0.09 0.04 0.00 0.00 177.00 177.89 1m72 n ASN 105 N 2.91 -1.05 -4.85 6.66 3.02 0.13 -4.95 115.26 117.13 1m72 n ASN 105 Ca -0.07 -1.08 -0.31 0.00 -0.03 0.00 0.00 54.58 53.10 1m72 n ASN 105 Cb 0.51 -2.60 0.04 0.00 -0.61 0.00 0.00 39.78 37.12 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 -7.16 3.06 0.52 3.41 1.43 -1.26 -4.68 118.68 114.01 1m72 s LEU 106 Ca 0.27 1.42 -0.12 0.00 -1.03 0.00 0.00 54.13 54.67 1m72 s LEU 106 Cb -0.15 -4.32 -0.06 0.00 0.03 0.00 0.00 46.19 41.69 1m72 s LEU 106 CO 0.93 -1.27 0.92 -0.54 0.23 0.00 0.00 176.35 176.62 1m72 s LYS 107 N -5.16 3.76 0.29 1.70 1.02 -1.26 -1.03 119.74 119.05 1m72 s LYS 107 Ca 0.57 0.69 0.03 0.00 0.02 0.00 0.00 55.97 57.28 1m72 s LYS 107 Cb -0.12 -2.21 0.69 0.00 -0.52 0.00 0.00 37.83 35.67 1m72 s LYS 107 CO 0.54 -0.29 1.72 1.03 -0.92 0.00 0.00 175.35 177.43 1m72 h SER 108 N 0.55 0.46 1.02 2.83 0.87 -1.91 -0.11 113.55 117.27 1m72 h SER 108 Ca -0.46 0.13 -0.10 0.00 -1.23 0.00 0.00 61.79 60.13 1m72 h SER 108 Cb 1.19 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 1m72 h SER 108 CO 0.62 0.09 -0.46 -0.33 -0.53 0.00 0.00 176.83 176.23 1m72 h GLU 109 N 0.51 0.00 -0.05 2.24 5.08 -1.98 -1.69 114.58 118.70 1m72 h GLU 109 Ca 0.55 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.74 1m72 h GLU 109 Cb 0.96 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1m72 h GLU 109 CO -0.46 0.46 -0.69 0.93 -1.00 0.00 0.00 179.01 178.25 1m72 h GLU 110 N 0.00 0.22 0.21 2.33 5.08 -1.42 -0.70 114.58 120.30 1m72 h GLU 110 Ca -0.00 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1m72 h GLU 110 Cb 1.09 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1m72 h GLU 110 CO 0.06 0.82 -0.10 0.82 -1.00 0.00 0.00 179.01 179.62 1m72 h ILE 111 N 0.16 0.87 -0.75 3.13 2.04 -1.12 -1.74 117.51 120.10 1m72 h ILE 111 Ca -0.02 -0.80 0.12 0.00 1.00 0.00 0.00 64.86 65.17 1m72 h ILE 111 Cb 1.23 1.31 -0.09 0.00 -0.74 0.00 0.00 36.82 38.54 1m72 h ILE 111 CO 0.11 0.17 0.34 -1.13 0.00 0.00 0.00 178.15 177.63 1m72 h ASN 112 N -0.70 0.38 -0.09 1.72 -0.73 -1.29 0.10 115.58 114.98 1m72 h ASN 112 Ca -0.03 0.09 -0.01 0.00 1.87 0.00 0.00 56.30 58.22 1m72 h ASN 112 Cb 0.49 0.03 -0.00 0.00 0.27 0.00 0.00 38.32 39.11 1m72 h ASN 112 CO 0.05 0.18 0.03 0.50 -0.37 0.00 0.00 177.43 177.82 1m72 h LYS 113 N 0.53 0.13 -0.86 6.67 3.64 -1.08 -1.16 116.57 124.44 1m72 h LYS 113 Ca 0.40 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 1m72 h LYS 113 Cb 0.53 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 1m72 h LYS 113 CO -0.34 0.25 0.48 0.74 -2.27 0.00 0.00 179.45 178.31 1m72 h PHE 114 N -0.02 1.17 -0.41 1.91 0.04 -0.57 0.27 116.94 119.33 1m72 h PHE 114 Ca 0.03 -0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.80 1m72 h PHE 114 Cb 0.17 -0.38 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 1m72 h PHE 114 CO -0.02 0.80 0.22 0.82 -0.60 0.00 0.00 178.31 179.54 1m72 h ILE 115 N 1.20 1.01 -0.24 -0.55 1.08 -0.57 0.15 117.51 119.59 1m72 h ILE 115 Ca 0.30 -0.16 -0.08 0.00 -0.39 0.00 0.00 64.86 64.54 1m72 h ILE 115 Cb 0.01 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 34.27 1m72 h ILE 115 CO -0.05 0.08 -0.20 1.56 -0.69 0.00 0.00 178.15 178.85 1m72 h GLN 116 N 0.45 0.42 -0.32 2.37 4.20 -0.85 -0.30 115.11 121.10 1m72 h GLN 116 Ca 0.17 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1m72 h GLN 116 Cb 0.05 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1m72 h GLN 116 CO -0.10 0.61 0.12 1.96 -0.67 0.00 0.00 178.83 180.75 1m72 h GLN 117 N 0.38 0.48 -0.34 1.46 4.20 0.32 -1.86 115.11 119.75 1m72 h GLN 117 Ca 0.06 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1m72 h GLN 117 Cb 0.57 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 1m72 h GLN 117 CO 0.04 0.49 0.21 1.15 -0.67 0.00 0.00 178.83 180.05 1m72 h THR 118 N 0.36 1.11 -0.25 -0.54 2.02 -0.41 -2.04 112.91 113.15 1m72 h THR 118 Ca 0.10 -0.23 0.07 0.00 0.77 0.00 0.00 66.41 67.13 1m72 h THR 118 Cb 0.20 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1m72 h THR 118 CO -0.01 0.10 0.21 0.00 0.37 0.00 0.00 175.52 176.20 1m72 h ALA 119 N 1.10 2.08 -0.01 6.16 0.00 -0.73 -0.91 119.26 126.94 1m72 h ALA 119 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1m72 h ALA 119 Cb -0.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1m72 h ALA 119 CO -0.02 -0.34 -0.06 0.39 0.00 0.00 0.00 179.25 179.21 1m72 n GLU 120 N -4.16 1.54 -1.76 0.00 1.02 -0.73 -4.73 120.64 111.82 1m72 n GLU 120 Ca 0.03 -0.94 -0.30 0.00 -0.02 0.00 0.00 57.16 55.93 1m72 n GLU 120 Cb 0.36 -1.48 0.08 0.00 -0.02 0.00 0.00 31.44 30.38 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 -2.11 2.27 -0.48 3.49 -1.94 -0.35 -4.98 119.30 115.20 1m72 s MET 121 Ca 0.34 0.42 -0.22 0.00 -1.71 0.00 0.00 55.69 54.52 1m72 s MET 121 Cb 0.21 -1.96 0.03 0.00 2.01 0.00 0.00 34.83 35.12 1m72 s MET 121 CO 0.37 -1.44 0.74 0.34 -0.01 0.00 0.00 175.02 175.02 1m72 s ASP 122 N -4.24 6.34 -0.14 3.03 -1.08 -1.26 -4.91 116.67 114.40 1m72 s ASP 122 Ca 0.60 -0.37 0.15 0.00 -0.52 0.00 0.00 52.55 52.41 1m72 s ASP 122 Cb -0.12 -2.36 0.69 0.00 -1.46 0.00 0.00 42.92 39.67 1m72 s ASP 122 CO 0.52 -0.93 1.58 1.41 0.52 0.00 0.00 175.17 178.28 1m72 n HIS 123 N 6.62 1.56 -0.30 -5.34 8.25 -1.26 -4.69 115.22 120.06 1m72 n HIS 123 Ca -0.01 -0.59 0.14 0.00 -0.26 0.00 0.00 57.72 57.01 1m72 n HIS 123 Cb 0.47 -0.32 0.31 0.00 1.12 0.00 0.00 29.99 31.57 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 3.71 0.16 -0.98 0.41 0.02 -1.92 -0.22 113.55 114.74 1m72 h SER 124 Ca 0.00 0.18 -0.50 0.00 -0.84 0.00 0.00 61.79 60.63 1m72 h SER 124 Cb 1.53 0.21 -0.30 0.00 0.14 0.00 0.00 62.40 63.98 1m72 h SER 124 CO 0.30 -0.10 0.63 0.47 -1.14 0.00 0.00 176.83 176.99 1m72 n ASP 125 N -5.15 3.83 -4.50 3.07 8.00 -1.26 -4.94 116.55 115.60 1m72 n ASP 125 Ca 0.22 -3.58 -0.30 0.00 0.71 0.00 0.00 54.79 51.84 1m72 n ASP 125 Cb 0.70 -0.83 -0.11 0.00 -0.02 0.00 0.00 41.12 40.85 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 -3.28 2.74 0.05 2.24 0.00 -0.09 -0.91 121.76 122.51 1m72 s ALA 126 Ca 0.57 -1.23 -0.16 0.00 0.00 0.00 0.00 51.96 51.14 1m72 s ALA 126 Cb 0.48 -0.79 -0.23 0.00 0.00 0.00 0.00 23.12 22.58 1m72 s ALA 126 CO 0.11 0.60 1.17 -0.44 0.00 0.00 0.00 175.76 177.19 1m72 h ASP 127 N 4.14 0.78 -0.68 0.00 3.32 0.13 -3.46 116.42 120.65 1m72 h ASP 127 Ca -0.49 -0.74 0.00 0.00 0.02 0.00 0.00 57.03 55.83 1m72 h ASP 127 Cb 1.16 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.47 1m72 h ASP 127 CO 0.49 1.42 0.00 0.00 -1.72 0.00 0.00 179.24 179.42 1m72 s LEU 129 N 0.00 1.42 -0.04 0.00 2.96 -1.14 -3.89 118.68 118.00 1m72 s LEU 129 Ca 0.00 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.10 1m72 s LEU 129 Cb 0.00 0.60 0.02 0.00 0.50 0.00 0.00 46.19 47.31 1m72 s LEU 129 CO 0.00 -0.15 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.64 1m72 s LEU 130 N -0.33 1.23 -0.10 -0.68 0.20 -0.65 -0.74 118.68 117.62 1m72 s LEU 130 Ca -0.04 -0.09 0.03 0.00 0.69 0.00 0.00 54.13 54.72 1m72 s LEU 130 Cb -0.03 -0.36 0.01 0.00 -0.43 0.00 0.00 46.19 45.38 1m72 s LEU 130 CO 0.01 -0.08 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.12 1m72 s VAL 131 N 1.00 1.64 0.01 1.68 1.01 0.79 -1.27 120.40 125.26 1m72 s VAL 131 Ca -0.10 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.19 1m72 s VAL 131 Cb -0.14 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 1m72 s VAL 131 CO -0.01 0.47 -0.19 0.00 0.00 0.00 0.00 175.10 175.37 1m72 s ALA 132 N 0.70 1.56 -0.04 5.51 0.00 -0.56 -0.20 121.76 128.74 1m72 s ALA 132 Ca -0.12 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 50.98 1m72 s ALA 132 Cb -0.16 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.62 1m72 s ALA 132 CO 0.03 0.37 -0.08 0.08 0.00 0.00 0.00 175.76 176.15 1m72 s VAL 133 N -0.59 0.74 -0.27 0.00 1.01 0.45 -0.61 120.40 121.14 1m72 s VAL 133 Ca 0.07 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1m72 s VAL 133 Cb -0.08 -0.69 0.07 0.00 0.00 0.00 0.00 36.38 35.68 1m72 s VAL 133 CO 0.00 0.25 -0.04 -0.76 0.00 0.00 0.00 175.10 174.55 1m72 s LEU 134 N 0.46 3.16 0.00 3.92 1.43 -0.42 -0.37 118.68 126.86 1m72 s LEU 134 Ca -0.07 -1.44 -0.04 0.00 -1.03 0.00 0.00 54.13 51.55 1m72 s LEU 134 Cb -0.11 -1.33 0.01 0.00 0.03 0.00 0.00 46.19 44.79 1m72 s LEU 134 CO 0.01 -0.26 0.19 1.07 0.23 0.00 0.00 176.35 177.58 1m72 n THR 135 N 4.55 0.00 -3.12 5.49 5.66 -0.13 -1.24 114.28 125.48 1m72 n THR 135 Ca -0.09 -0.11 -0.30 0.00 -3.05 0.00 0.00 64.05 60.50 1m72 n THR 135 Cb 0.43 0.15 -0.04 0.00 -1.55 0.00 0.00 70.33 69.32 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 -5.50 3.46 0.36 1.09 3.76 -1.26 -4.02 115.29 113.17 1m72 s HIS 136 Ca 0.04 0.90 -0.15 0.00 -0.15 0.00 0.00 55.06 55.70 1m72 s HIS 136 Cb -0.01 -2.31 0.04 0.00 1.11 0.00 0.00 32.58 31.42 1m72 s HIS 136 CO 0.01 0.06 0.74 0.20 -0.85 0.00 0.00 174.74 174.90 1m72 s GLY 137 N -2.97 0.40 0.26 -2.22 0.00 -1.26 -0.99 107.32 100.55 1m72 s GLY 137 Ca 0.48 -0.76 -0.08 0.00 0.00 0.00 0.00 44.72 44.37 1m72 s GLY 137 CO 0.28 -0.35 0.40 -0.54 0.00 0.00 0.00 173.10 172.90 1m72 s GLU 138 N -2.66 1.57 -0.07 2.90 2.02 -0.43 -4.25 118.70 117.78 1m72 s GLU 138 Ca 0.16 -1.46 -0.35 0.00 0.02 0.00 0.00 54.97 53.34 1m72 s GLU 138 Cb -0.05 0.42 -0.13 0.00 0.10 0.00 0.00 34.13 34.48 1m72 s GLU 138 CO 0.11 -0.63 1.80 -0.11 0.02 0.00 0.00 175.26 176.46 1m72 n LEU 139 N -0.40 3.20 -0.82 1.80 7.94 -1.05 -0.12 117.00 127.54 1m72 n LEU 139 Ca -0.00 1.01 -0.11 0.00 -1.11 0.00 0.00 56.01 55.80 1m72 n LEU 139 Cb 0.63 -1.34 -0.05 0.00 0.53 0.00 0.00 43.42 43.19 1m72 n LEU 139 CO 0.27 -0.17 -0.10 0.61 -1.11 0.00 0.00 177.39 176.88 1m72 n GLY 140 N 4.16 1.17 3.16 -3.96 0.00 -1.26 -4.97 105.19 103.48 1m72 n GLY 140 Ca 0.22 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 1m72 n GLY 140 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1m72 s MET 141 N -2.77 0.34 0.02 1.61 0.00 0.83 -4.43 119.30 114.90 1m72 s MET 141 Ca 0.00 0.33 0.05 0.00 0.00 0.00 0.00 55.69 56.07 1m72 s MET 141 Cb 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 34.83 34.97 1m72 s MET 141 CO 0.00 -0.05 -0.16 -0.51 0.00 0.00 0.00 175.02 174.30 1m72 s LEU 142 N 0.03 2.12 -0.14 4.11 1.43 -0.40 -1.32 118.68 124.52 1m72 s LEU 142 Ca -0.01 -0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 52.60 1m72 s LEU 142 Cb -0.02 -0.74 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 1m72 s LEU 142 CO 0.01 0.11 0.12 -0.31 0.23 0.00 0.00 176.35 176.51 1m72 s TYR 143 N -0.68 3.50 0.00 0.29 1.51 -0.16 -0.83 117.35 120.98 1m72 s TYR 143 Ca 0.04 0.42 0.00 0.00 -1.01 0.00 0.00 57.07 56.53 1m72 s TYR 143 Cb -0.07 -1.99 0.00 0.00 -0.11 0.00 0.00 41.96 39.78 1m72 s TYR 143 CO 0.01 0.57 0.00 0.00 -1.11 0.00 0.00 175.55 175.02 1m72 n ALA 144 N 2.48 0.00 -0.10 3.71 0.00 0.14 -4.65 120.51 122.09 1m72 n ALA 144 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.14 1m72 n ALA 144 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 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 0.53 0.03 0.00 3.64 -1.35 -3.36 116.57 116.05 1m72 h LYS 145 Ca 0.00 -0.18 -0.32 0.00 -1.27 0.00 0.00 60.65 58.88 1m72 h LYS 145 Cb 0.00 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.73 1m72 h LYS 145 CO 0.00 0.69 -1.89 -0.40 -2.27 0.00 0.00 179.45 175.58 1m72 n ASP 146 N -4.56 1.06 -2.77 4.20 5.75 -1.26 -1.21 116.55 117.77 1m72 n ASP 146 Ca -0.03 0.30 -0.10 0.00 -0.01 0.00 0.00 54.79 54.95 1m72 n ASP 146 Cb 0.27 -0.10 0.02 0.00 -1.03 0.00 0.00 41.12 40.28 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 -3.10 0.00 -3.77 2.12 5.66 -1.26 -4.74 114.28 109.19 1m72 n THR 147 Ca -0.23 -1.12 -0.20 0.00 -3.05 0.00 0.00 64.05 59.45 1m72 n THR 147 Cb 1.06 0.98 -0.02 0.00 -1.55 0.00 0.00 70.33 70.80 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 -2.52 3.15 0.17 1.09 -3.43 -1.26 0.28 115.29 112.77 1m72 s HIS 148 Ca 0.18 -0.17 -0.10 0.00 -0.80 0.00 0.00 55.06 54.17 1m72 s HIS 148 Cb -0.04 -1.75 -0.01 0.00 -1.43 0.00 0.00 32.58 29.35 1m72 s HIS 148 CO 0.13 0.23 0.31 1.52 -2.00 0.00 0.00 174.74 174.93 1m72 s TYR 149 N -2.15 0.37 -0.01 0.38 -0.85 -0.01 -4.91 117.35 110.18 1m72 s TYR 149 Ca 0.39 -0.73 -0.28 0.00 -0.52 0.00 0.00 57.07 55.93 1m72 s TYR 149 Cb -0.08 -0.02 -0.03 0.00 0.38 0.00 0.00 41.96 42.20 1m72 s TYR 149 CO 0.29 -0.75 0.90 0.15 -1.52 0.00 0.00 175.55 174.62 1m72 s LYS 150 N -3.97 4.53 0.43 -3.49 1.02 -1.26 -1.28 119.74 115.72 1m72 s LYS 150 Ca 0.17 1.27 0.24 0.00 0.02 0.00 0.00 55.97 57.67 1m72 s LYS 150 Cb 0.03 -3.45 1.24 0.00 -0.52 0.00 0.00 37.83 35.13 1m72 s LYS 150 CO 0.01 0.00 1.74 -1.35 -0.92 0.00 0.00 175.35 174.83 1m72 h PRO 151 N 6.70 0.26 -0.10 -1.68 0.11 -1.91 0.99 132.00 136.36 1m72 h PRO 151 Ca -0.41 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.71 1m72 h PRO 151 Cb 1.21 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1m72 h PRO 151 CO 0.75 0.17 0.12 -0.44 -0.21 0.00 0.00 178.00 178.38 1m72 h ASP 152 N 0.27 0.00 0.08 -2.05 3.32 -1.94 0.11 116.42 116.21 1m72 h ASP 152 Ca 0.65 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.69 1m72 h ASP 152 Cb 1.87 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.42 1m72 h ASP 152 CO -0.29 0.00 -0.04 0.78 -1.72 0.00 0.00 179.24 177.98 1m72 h ASN 153 N 0.00 0.00 0.21 6.45 -0.26 -1.19 -0.18 115.58 120.61 1m72 h ASN 153 Ca 0.05 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.66 1m72 h ASN 153 Cb 0.28 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.53 1m72 h ASN 153 CO -0.00 0.04 -0.48 -0.07 -1.06 0.00 0.00 177.43 175.86 1m72 h LEU 154 N 0.00 0.33 0.00 1.61 3.38 -0.95 -3.33 115.31 116.36 1m72 h LEU 154 Ca -0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1m72 h LEU 154 Cb 0.09 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1m72 h LEU 154 CO 0.00 0.76 -0.81 -2.67 0.09 0.00 0.00 178.44 175.82 1m72 n TRP 155 N -3.98 0.00 -0.26 1.13 2.14 -0.97 -4.66 117.44 110.85 1m72 n TRP 155 Ca -0.02 0.00 0.07 0.00 2.07 0.00 0.00 57.50 59.62 1m72 n TRP 155 Cb 0.53 -0.08 0.20 0.00 -0.81 0.00 0.00 31.31 31.15 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 0.18 0.00 -2.67 3.20 -1.15 -1.02 116.97 115.52 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 0.33 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1m72 h TYR 156 CO 0.00 -0.17 0.00 0.66 -1.64 0.00 0.00 178.16 177.01 1m72 n TYR 157 N -5.23 0.00 -0.10 -3.82 4.02 -1.26 -3.70 117.16 107.07 1m72 n TYR 157 Ca 0.16 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 58.07 1m72 n TYR 157 Cb 0.51 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.91 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 -0.84 0.22 -1.90 -0.72 3.72 -0.38 -4.38 117.46 113.18 1m72 n PHE 158 Ca 0.12 -0.51 -0.39 0.00 -0.05 0.00 0.00 57.45 56.62 1m72 n PHE 158 Cb 0.06 -0.04 0.02 0.00 -0.94 0.00 0.00 39.48 38.57 1m72 n PHE 158 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1m72 s THR 159 N -1.03 2.31 0.35 4.37 -4.23 -1.24 -4.48 115.64 111.69 1m72 s THR 159 Ca 0.11 0.26 0.16 0.00 -1.18 0.00 0.00 61.69 61.04 1m72 s THR 159 Cb 0.06 -3.14 0.36 0.00 1.34 0.00 0.00 72.50 71.12 1m72 s THR 159 CO 0.07 0.02 1.55 0.00 -0.54 0.00 0.00 174.62 175.72 1m72 n ALA 160 N -0.43 0.90 0.20 3.99 0.00 -0.89 0.15 120.51 124.42 1m72 n ALA 160 Ca 0.07 1.01 0.03 0.00 0.00 0.00 0.00 53.44 54.55 1m72 n ALA 160 Cb 0.44 -0.95 0.40 0.00 0.00 0.00 0.00 19.45 19.34 1m72 n ALA 160 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1m72 h ASP 161 N 0.00 0.00 0.58 0.00 2.03 -1.88 -1.86 116.42 115.30 1m72 h ASP 161 Ca 0.78 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 57.06 1m72 h ASP 161 Cb 1.99 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 40.48 1m72 h ASP 161 CO -0.79 0.32 -1.43 0.29 -1.03 0.00 0.00 179.24 176.60 1m72 n LYS 162 N -4.15 0.63 -3.16 4.15 5.02 0.40 -4.58 118.16 116.47 1m72 n LYS 162 Ca -0.02 0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.05 1m72 n LYS 162 Cb 0.36 -1.71 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 1m72 n LYS 162 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1m72 h PRO 164 N 3.91 0.14 0.00 0.00 0.11 -1.59 -0.37 132.00 134.21 1m72 h PRO 164 Ca 0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1m72 h PRO 164 Cb 0.90 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1m72 h PRO 164 CO 0.45 0.09 0.00 0.25 -0.21 0.00 0.00 178.00 178.59 1m72 n THR 165 N -4.36 0.18 0.07 -1.15 -2.24 -1.26 -1.27 114.28 104.26 1m72 n THR 165 Ca 0.23 0.05 0.03 0.00 -2.27 0.00 0.00 64.05 62.08 1m72 n THR 165 Cb 1.03 -0.71 0.04 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.14 1.90 -4.73 3.22 4.77 -0.15 -3.81 117.00 117.06 1m72 n LEU 166 Ca 0.13 -1.48 -0.42 0.00 -0.03 0.00 0.00 56.01 54.21 1m72 n LEU 166 Cb 0.11 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1m72 n LEU 166 CO 0.14 0.45 1.27 0.00 -1.33 0.00 0.00 177.39 177.92 1m72 s ALA 167 N -0.70 3.81 0.00 -1.18 0.00 -0.39 -1.23 121.76 122.07 1m72 s ALA 167 Ca 0.08 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.54 1m72 s ALA 167 Cb 0.05 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1m72 s ALA 167 CO 0.07 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.35 1m72 n GLY 168 N 3.22 0.63 3.52 0.00 0.00 -1.26 -4.53 105.19 106.78 1m72 n GLY 168 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.24 2.29 0.20 1.61 1.02 -0.36 -4.86 119.74 119.39 1m72 s LYS 169 Ca 0.00 -0.87 -0.30 0.00 0.02 0.00 0.00 55.97 54.82 1m72 s LYS 169 Cb 0.00 -2.33 -0.09 0.00 -0.52 0.00 0.00 37.83 34.89 1m72 s LYS 169 CO 0.00 0.57 1.37 -1.25 -0.92 0.00 0.00 175.35 175.11 1m72 s PRO 170 N -1.47 4.34 -0.27 -1.68 0.04 -1.26 -4.87 135.00 129.84 1m72 s PRO 170 Ca 0.16 2.14 -0.01 0.00 0.04 0.00 0.00 61.00 63.33 1m72 s PRO 170 Cb -0.11 -3.17 0.04 0.00 0.04 0.00 0.00 34.50 31.29 1m72 s PRO 170 CO 0.07 -0.34 -0.04 0.15 0.04 0.00 0.00 177.00 176.88 1m72 s LYS 171 N 0.01 2.67 -0.13 4.56 1.02 -0.07 -2.86 119.74 124.94 1m72 s LYS 171 Ca 0.59 -1.09 -0.03 0.00 0.02 0.00 0.00 55.97 55.46 1m72 s LYS 171 Cb -0.38 -3.04 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 1m72 s LYS 171 CO 0.38 -0.48 -0.03 -0.51 -0.92 0.00 0.00 175.35 173.79 1m72 s LEU 172 N 1.29 3.31 -0.06 3.17 1.43 0.08 -1.24 118.68 126.66 1m72 s LEU 172 Ca -0.02 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 1m72 s LEU 172 Cb -0.18 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.28 1m72 s LEU 172 CO -0.03 0.24 -0.12 -0.36 0.23 0.00 0.00 176.35 176.31 1m72 s PHE 173 N -0.04 1.39 -0.13 0.29 0.40 0.15 -0.15 117.98 119.89 1m72 s PHE 173 Ca 0.02 -0.50 0.01 0.00 -0.60 0.00 0.00 56.93 55.86 1m72 s PHE 173 Cb -0.13 -1.03 0.02 0.00 0.51 0.00 0.00 43.02 42.39 1m72 s PHE 173 CO 0.02 -0.26 -0.16 -0.06 0.70 0.00 0.00 175.22 175.47 1m72 s PHE 174 N 0.64 2.19 -0.17 0.36 0.40 0.71 -1.12 117.98 120.99 1m72 s PHE 174 Ca -0.14 -1.15 0.00 0.00 -0.60 0.00 0.00 56.93 55.05 1m72 s PHE 174 Cb -0.15 -1.58 0.03 0.00 0.51 0.00 0.00 43.02 41.83 1m72 s PHE 174 CO 0.03 -0.60 -0.12 0.42 0.70 0.00 0.00 175.22 175.65 1m72 s ILE 175 N 1.22 1.55 -0.47 0.64 1.01 -0.09 -0.41 121.20 124.66 1m72 s ILE 175 Ca -0.00 -0.76 -0.13 0.00 0.00 0.00 0.00 60.65 59.75 1m72 s ILE 175 Cb -0.14 -1.54 0.09 0.00 0.01 0.00 0.00 42.46 40.88 1m72 s ILE 175 CO -0.07 0.33 0.38 -1.58 0.00 0.00 0.00 174.94 174.00 1m72 s GLN 176 N 1.47 2.84 -0.18 2.79 2.00 0.50 -1.10 119.66 127.99 1m72 s GLN 176 Ca 0.02 -1.49 -0.35 0.00 -2.00 0.00 0.00 55.36 51.54 1m72 s GLN 176 Cb -0.14 -4.06 0.14 0.00 0.80 0.00 0.00 33.01 29.75 1m72 s GLN 176 CO -0.09 -1.09 1.28 0.00 -0.50 0.00 0.00 175.29 174.88 1m72 s ALA 177 N 1.55 -2.16 0.52 1.58 0.00 -1.26 -0.96 121.76 121.04 1m72 s ALA 177 Ca 0.04 1.48 -0.19 0.00 0.00 0.00 0.00 51.96 53.29 1m72 s ALA 177 Cb -0.25 -0.08 -0.07 0.00 0.00 0.00 0.00 23.12 22.71 1m72 s ALA 177 CO 0.04 -0.69 1.03 0.00 0.00 0.00 0.00 175.76 176.14 1m72 n GLN 179 N -1.31 1.95 -1.26 0.00 6.02 -0.17 -2.51 117.38 120.10 1m72 n GLN 179 Ca 0.09 -2.88 0.00 0.00 -0.01 0.00 0.00 57.00 54.20 1m72 n GLN 179 Cb 0.53 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 30.10 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 -1.04 0.43 0.30 1.08 0.00 -1.19 0.27 105.19 105.04 1m72 n GLY 180 Ca 0.21 -1.66 0.07 0.00 0.00 0.00 0.00 46.02 44.65 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 0.99 1.70 -4.88 1.61 5.68 -0.93 -3.14 116.55 117.57 1m72 n ASP 181 Ca 0.00 -2.92 -0.29 0.00 -0.50 0.00 0.00 54.79 51.08 1m72 n ASP 181 Cb 0.00 -0.39 -0.02 0.00 -1.14 0.00 0.00 41.12 39.57 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 -2.18 3.70 0.08 0.11 0.52 0.08 -4.72 118.95 116.53 1m72 s ARG 182 Ca 0.26 0.40 0.09 0.00 -0.52 0.00 0.00 55.73 55.96 1m72 s ARG 182 Cb 0.24 -2.37 -0.04 0.00 0.52 0.00 0.00 34.95 33.30 1m72 s ARG 182 CO 0.00 -0.12 -0.20 -0.51 0.02 0.00 0.00 175.30 174.49 1m72 s LEU 183 N -4.19 2.55 -0.37 2.53 1.43 -1.26 -1.80 118.68 117.57 1m72 s LEU 183 Ca 0.50 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 53.03 1m72 s LEU 183 Cb -0.10 -1.46 0.09 0.00 0.03 0.00 0.00 46.19 44.74 1m72 s LEU 183 CO 0.37 0.22 0.14 -0.62 0.23 0.00 0.00 176.35 176.68 1m72 s ASP 184 N -1.77 5.17 0.00 2.29 -1.08 -1.26 -4.95 116.67 115.07 1m72 s ASP 184 Ca 0.15 -1.72 0.22 0.00 -0.52 0.00 0.00 52.55 50.68 1m72 s ASP 184 Cb -0.10 -1.80 1.05 0.00 -1.46 0.00 0.00 42.92 40.60 1m72 s ASP 184 CO 0.07 -0.44 1.71 0.61 0.52 0.00 0.00 175.17 177.64 1m72 n GLY 185 N 4.63 -1.11 0.95 2.66 0.00 -1.26 0.07 105.19 111.13 1m72 n GLY 185 Ca -0.06 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 45.99 1m72 n GLY 185 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m72 n GLY 186 N 0.65 -1.96 3.02 -0.02 0.00 -1.26 -4.65 105.19 100.97 1m72 n GLY 186 Ca 0.08 -1.27 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.19 0.27 -0.20 -0.61 2.07 -1.26 -5.07 121.20 114.21 1m72 s ILE 187 Ca 0.00 -1.04 -0.13 0.00 -1.41 0.00 0.00 60.65 58.07 1m72 s ILE 187 Cb 0.00 -0.48 -0.05 0.00 0.13 0.00 0.00 42.46 42.07 1m72 s ILE 187 CO 0.00 -0.50 0.26 -0.89 -1.91 0.00 0.00 174.94 171.90 1m72 s THR 188 N -1.62 5.31 -0.20 4.00 2.01 -1.26 -5.07 115.64 118.81 1m72 s THR 188 Ca -0.12 0.44 -0.11 0.00 0.31 0.00 0.00 61.69 62.21 1m72 s THR 188 Cb -0.09 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 1m72 s THR 188 CO -0.01 0.35 0.16 -0.76 -0.69 0.00 0.00 174.62 173.67 1m72 s LEU 189 N 0.80 4.20 0.08 4.42 1.43 -1.26 -5.09 118.68 123.26 1m72 s LEU 189 Ca 0.14 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.52 1m72 s LEU 189 Cb -0.13 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 1m72 s LEU 189 CO 0.04 0.15 -0.08 -0.55 0.23 0.00 0.00 176.35 176.14 1m72 s SER 190 N 0.46 1.15 0.00 2.29 0.15 -1.26 -5.35 113.70 111.14 1m72 s SER 190 Ca 0.09 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.94 1m72 s SER 190 Cb -0.12 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 1m72 s SER 190 CO -0.00 -0.32 0.00 0.54 1.20 0.00 0.00 173.24 174.66 1m72 n ARG 191 N 0.61 0.00 0.00 5.44 5.12 -1.26 -5.36 116.66 121.21 1m72 n ARG 191 Ca -0.17 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.75 1m72 n ARG 191 Cb 0.58 -1.34 0.00 0.00 -1.16 0.00 0.00 32.46 30.53 1m72 n ARG 191 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1m72 n SER 201 N 0.00 0.00 -3.89 0.55 2.88 -1.26 -5.38 113.62 106.52 1m72 n SER 201 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1m72 n SER 201 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 1m72 n SER 201 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1m72 s TYR 202 N 0.00 0.05 -0.12 0.66 -0.85 -1.26 -5.13 117.35 110.70 1m72 s TYR 202 Ca 0.00 -0.09 -0.10 0.00 -0.52 0.00 0.00 57.07 56.36 1m72 s TYR 202 Cb 0.00 -0.05 -0.05 0.00 0.38 0.00 0.00 41.96 42.24 1m72 s TYR 202 CO 0.00 -0.13 0.21 1.03 -1.52 0.00 0.00 175.55 175.14 1m72 s ARG 203 N -0.69 3.80 0.18 -3.49 0.52 -1.26 -5.09 118.95 112.92 1m72 s ARG 203 Ca -0.08 -0.01 0.09 0.00 -0.52 0.00 0.00 55.73 55.21 1m72 s ARG 203 Cb -0.05 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 1m72 s ARG 203 CO 0.00 0.59 -0.18 0.96 0.02 0.00 0.00 175.30 176.69 1m72 s ILE 204 N -0.53 1.86 0.36 1.52 -4.36 -1.26 -5.13 121.20 113.66 1m72 s ILE 204 Ca 0.16 -1.97 -0.27 0.00 -0.26 0.00 0.00 60.65 58.30 1m72 s ILE 204 Cb -0.13 -1.90 -0.09 0.00 1.25 0.00 0.00 42.46 41.59 1m72 s ILE 204 CO 0.05 -0.34 1.19 -2.84 0.24 0.00 0.00 174.94 173.24 1m72 s PRO 205 N -2.91 4.24 0.17 0.37 0.02 -1.26 -4.90 135.00 130.72 1m72 s PRO 205 Ca 0.17 1.93 0.22 0.00 0.02 0.00 0.00 61.00 63.34 1m72 s PRO 205 Cb -0.05 -2.87 0.89 0.00 0.02 0.00 0.00 34.50 32.48 1m72 s PRO 205 CO 0.07 -0.19 1.68 1.33 -0.33 0.00 0.00 177.00 179.56 1m72 n VAL 206 N 0.47 0.76 0.46 3.83 0.24 -1.26 -2.37 118.33 120.47 1m72 n VAL 206 Ca 0.02 0.13 0.11 0.00 -2.04 0.00 0.00 64.34 62.56 1m72 n VAL 206 Cb 0.45 -0.97 0.26 0.00 -1.47 0.00 0.00 33.84 32.11 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 -2.00 0.52 -2.07 6.34 8.25 -1.26 -2.10 115.22 122.90 1m72 n HIS 207 Ca 0.03 -0.26 -0.30 0.00 -0.26 0.00 0.00 57.72 56.93 1m72 n HIS 207 Cb 0.26 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.38 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 -1.48 3.17 -0.43 -1.41 0.00 -1.00 -4.41 121.76 116.20 1m72 s ALA 208 Ca 0.38 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 52.12 1m72 s ALA 208 Cb 0.21 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.38 1m72 s ALA 208 CO 0.29 -0.63 0.07 -0.25 0.00 0.00 0.00 175.76 175.24 1m72 n ASP 209 N -2.64 -2.46 -4.58 0.00 8.00 0.46 -4.90 116.55 110.43 1m72 n ASP 209 Ca 0.05 -0.04 -0.33 0.00 0.71 0.00 0.00 54.79 55.19 1m72 n ASP 209 Cb 0.54 -1.64 -0.11 0.00 -0.02 0.00 0.00 41.12 39.90 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 -2.46 2.87 -0.15 1.24 0.08 -1.26 -0.89 117.98 117.41 1m72 s PHE 210 Ca 0.04 -0.04 -0.00 0.00 0.12 0.00 0.00 56.93 57.04 1m72 s PHE 210 Cb -0.02 -1.63 0.03 0.00 -0.57 0.00 0.00 43.02 40.84 1m72 s PHE 210 CO 0.04 0.34 -0.09 -1.17 -0.10 0.00 0.00 175.22 174.25 1m72 s LEU 211 N -1.20 1.61 -0.22 -0.37 2.96 -0.37 -0.10 118.68 120.99 1m72 s LEU 211 Ca 0.15 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.52 1m72 s LEU 211 Cb -0.11 -1.00 0.05 0.00 0.50 0.00 0.00 46.19 45.63 1m72 s LEU 211 CO 0.05 -0.13 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.20 1m72 s ILE 212 N 1.58 1.93 -0.29 6.68 1.01 0.55 -0.67 121.20 131.99 1m72 s ILE 212 Ca 0.03 -1.28 -0.03 0.00 0.00 0.00 0.00 60.65 59.36 1m72 s ILE 212 Cb -0.14 -1.99 0.04 0.00 0.01 0.00 0.00 42.46 40.38 1m72 s ILE 212 CO -0.09 0.13 0.01 0.00 0.00 0.00 0.00 174.94 174.99 1m72 s ALA 213 N 1.25 2.84 -0.05 9.38 0.00 -0.27 0.52 121.76 135.43 1m72 s ALA 213 Ca -0.04 -1.65 -0.08 0.00 0.00 0.00 0.00 51.96 50.20 1m72 s ALA 213 Cb -0.17 -1.94 -0.05 0.00 0.00 0.00 0.00 23.12 20.96 1m72 s ALA 213 CO -0.08 -1.12 0.23 -0.06 0.00 0.00 0.00 175.76 174.73 1m72 s PHE 214 N 1.32 3.61 0.12 0.00 0.40 -0.73 -0.91 117.98 121.79 1m72 s PHE 214 Ca -0.03 0.61 0.32 0.00 -0.60 0.00 0.00 56.93 57.23 1m72 s PHE 214 Cb -0.19 -2.01 1.65 0.00 0.51 0.00 0.00 43.02 42.99 1m72 s PHE 214 CO -0.01 0.68 1.97 0.66 0.70 0.00 0.00 175.22 179.22 1m72 h SER 215 N 4.55 0.00 -5.16 1.36 4.64 -1.40 -0.87 113.55 116.66 1m72 h SER 215 Ca -0.52 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.72 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 0.62 0.00 -0.24 0.28 -0.87 0.00 0.00 176.83 176.62 1m72 s THR 216 N -3.76 0.09 0.37 2.95 -1.32 -1.26 -3.57 115.64 109.14 1m72 s THR 216 Ca -0.02 -1.07 -0.26 0.00 -1.21 0.00 0.00 61.69 59.13 1m72 s THR 216 Cb 0.09 -1.50 -0.09 0.00 -1.51 0.00 0.00 72.50 69.50 1m72 s THR 216 CO 0.33 -0.40 1.15 -0.69 -2.21 0.00 0.00 174.62 172.81 1m72 s VAL 217 N -3.88 3.24 0.19 5.08 1.01 -1.23 -4.24 120.40 120.57 1m72 s VAL 217 Ca 0.09 1.09 -0.32 0.00 0.00 0.00 0.00 61.98 62.84 1m72 s VAL 217 Cb 0.03 -3.63 -0.16 0.00 0.00 0.00 0.00 36.38 32.63 1m72 s VAL 217 CO -0.07 0.14 1.08 -2.65 0.00 0.00 0.00 175.10 173.60 1m72 n PRO 218 N 0.33 1.07 0.00 2.72 -0.02 -1.26 -1.21 135.00 136.63 1m72 n PRO 218 Ca 0.03 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1m72 n PRO 218 Cb 0.46 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 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 1.84 2.06 3.74 -1.23 0.00 0.14 -4.98 105.19 106.76 1m72 n GLY 219 Ca 0.14 0.00 -0.28 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 -2.32 3.06 0.76 1.61 1.51 -0.35 -0.74 117.35 120.88 1m72 s TYR 220 Ca 0.00 -0.02 -0.13 0.00 -1.01 0.00 0.00 57.07 55.91 1m72 s TYR 220 Cb 0.00 -1.52 0.06 0.00 -0.11 0.00 0.00 41.96 40.39 1m72 s TYR 220 CO 0.00 0.51 1.15 -0.06 -1.11 0.00 0.00 175.55 176.04 1m72 s PHE 221 N -1.53 2.19 -0.07 2.71 0.40 -0.74 -1.00 117.98 119.94 1m72 s PHE 221 Ca 0.28 1.62 0.04 0.00 -0.60 0.00 0.00 56.93 58.27 1m72 s PHE 221 Cb -0.11 -3.29 0.00 0.00 0.51 0.00 0.00 43.02 40.13 1m72 s PHE 221 CO 0.21 -2.28 -0.18 0.45 0.70 0.00 0.00 175.22 174.12 1m72 s SER 222 N -2.57 2.31 -0.02 1.36 0.15 -1.26 -4.85 113.70 108.82 1m72 s SER 222 Ca 0.68 -0.39 -0.11 0.00 0.70 0.00 0.00 55.95 56.83 1m72 s SER 222 Cb -0.23 -0.90 -0.05 0.00 -1.71 0.00 0.00 66.02 63.13 1m72 s SER 222 CO 0.49 0.12 0.31 0.26 1.20 0.00 0.00 173.24 175.62 1m72 s TRP 223 N 0.33 3.65 -0.01 3.44 0.52 -1.26 -4.78 118.94 120.83 1m72 s TRP 223 Ca -0.12 0.77 0.01 0.00 0.02 0.00 0.00 56.10 56.79 1m72 s TRP 223 Cb -0.15 -2.13 0.00 0.00 -1.15 0.00 0.00 33.47 30.05 1m72 s TRP 223 CO 0.05 0.65 -0.04 0.50 0.02 0.00 0.00 176.95 178.13 1m72 s ARG 224 N -1.28 0.38 -0.20 4.98 3.52 -1.26 -1.58 118.95 123.52 1m72 s ARG 224 Ca 0.23 -0.11 -0.10 0.00 -0.13 0.00 0.00 55.73 55.62 1m72 s ARG 224 Cb -0.14 -0.40 -0.05 0.00 -1.56 0.00 0.00 34.95 32.80 1m72 s ARG 224 CO 0.12 0.04 0.12 1.21 -0.81 0.00 0.00 175.30 175.98 1m72 s ASN 225 N 0.17 6.16 0.64 -2.12 3.84 0.20 -4.90 114.94 118.93 1m72 s ASN 225 Ca -0.01 0.22 0.40 0.00 0.21 0.00 0.00 52.86 53.68 1m72 s ASN 225 Cb -0.05 -2.08 2.23 0.00 -0.55 0.00 0.00 41.25 40.80 1m72 s ASN 225 CO -0.00 0.18 2.33 0.71 -2.79 0.00 0.00 177.10 177.53 1m72 h THR 226 N 4.67 0.14 0.00 -5.21 1.35 -1.86 0.19 112.91 112.20 1m72 h THR 226 Ca -0.41 -0.04 -0.30 0.00 -0.55 0.00 0.00 66.41 65.12 1m72 h THR 226 Cb 1.15 1.03 -0.05 0.00 -1.73 0.00 0.00 68.15 68.55 1m72 h THR 226 CO 0.75 0.00 -2.10 1.07 -0.25 0.00 0.00 175.52 174.99 1m72 n THR 227 N -3.28 1.11 0.88 6.82 5.66 -1.26 -3.07 114.28 121.14 1m72 n THR 227 Ca -0.03 -0.40 0.12 0.00 -3.05 0.00 0.00 64.05 60.68 1m72 n THR 227 Cb 0.09 -1.26 0.15 0.00 -1.55 0.00 0.00 70.33 67.76 1m72 n THR 227 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1m72 n ARG 228 N -3.18 0.08 0.00 1.09 1.74 -1.19 -4.94 116.66 110.26 1m72 n ARG 228 Ca -0.35 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.74 1m72 n ARG 228 Cb 0.85 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 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 1.46 -3.36 3.78 -0.13 0.00 0.67 -4.76 105.19 102.86 1m72 n GLY 229 Ca 0.04 -2.03 -0.35 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.49 5.77 0.11 1.61 1.04 -1.26 -0.63 113.70 118.85 1m72 s SER 230 Ca 0.00 2.12 -0.19 0.00 0.48 0.00 0.00 55.95 58.36 1m72 s SER 230 Cb 0.00 -2.57 -0.07 0.00 0.10 0.00 0.00 66.02 63.48 1m72 s SER 230 CO 0.00 -1.18 1.71 -0.50 0.98 0.00 0.00 173.24 174.25 1m72 h TRP 231 N 1.15 0.30 -0.01 5.02 6.55 -1.67 -0.88 115.95 126.41 1m72 h TRP 231 Ca -0.50 -0.01 0.03 0.00 0.95 0.00 0.00 58.89 59.36 1m72 h TRP 231 Cb 1.25 -0.10 -0.03 0.00 -0.86 0.00 0.00 29.16 29.42 1m72 h TRP 231 CO 0.52 0.27 -0.16 0.35 -1.05 0.00 0.00 178.44 178.38 1m72 h PHE 232 N 0.25 -0.40 -0.66 0.49 3.57 -1.90 -0.86 116.94 117.43 1m72 h PHE 232 Ca 0.08 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 1m72 h PHE 232 Cb 0.07 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 1m72 h PHE 232 CO -0.04 -0.23 0.15 0.52 -2.23 0.00 0.00 178.31 176.48 1m72 h MET 233 N -0.25 1.05 -0.55 1.11 2.86 -1.93 0.14 114.93 117.37 1m72 h MET 233 Ca 0.05 -0.25 -0.11 0.00 -2.06 0.00 0.00 59.70 57.33 1m72 h MET 233 Cb 0.32 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1m72 h MET 233 CO -0.16 0.94 -0.10 -0.56 1.06 0.00 0.00 176.91 178.10 1m72 h GLN 234 N 1.00 1.03 -0.39 1.72 3.07 -0.97 0.23 115.11 120.80 1m72 h GLN 234 Ca 0.21 -0.37 -0.08 0.00 0.09 0.00 0.00 58.65 58.49 1m72 h GLN 234 Cb 0.37 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 27.85 1m72 h GLN 234 CO 0.00 1.06 -0.07 0.00 0.09 0.00 0.00 178.83 179.91 1m72 h ALA 235 N 0.96 0.53 -0.41 0.06 0.00 -0.90 -1.33 119.26 118.17 1m72 h ALA 235 Ca 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1m72 h ALA 235 Cb 0.66 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1m72 h ALA 235 CO 0.05 0.37 0.24 1.25 0.00 0.00 0.00 179.25 181.16 1m72 h LEU 236 N 0.54 0.51 -0.16 0.00 5.85 -0.55 0.45 115.31 121.94 1m72 h LEU 236 Ca 0.10 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1m72 h LEU 236 Cb 0.58 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1m72 h LEU 236 CO 0.03 0.44 0.03 0.00 -0.34 0.00 0.00 178.44 178.60 1m72 h GLU 238 N 0.05 0.53 -0.30 0.00 4.81 -1.14 0.10 114.58 118.64 1m72 h GLU 238 Ca 0.05 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.11 1m72 h GLU 238 Cb 0.31 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1m72 h GLU 238 CO 0.00 0.35 -0.38 1.49 -0.73 0.00 0.00 179.01 179.75 1m72 h GLU 239 N 0.55 0.69 -0.62 1.92 4.57 -0.63 -0.05 114.58 121.01 1m72 h GLU 239 Ca 0.27 -0.34 -0.10 0.00 -1.18 0.00 0.00 59.36 58.01 1m72 h GLU 239 Cb 0.21 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 1m72 h GLU 239 CO -0.20 0.95 0.01 -0.07 -1.18 0.00 0.00 179.01 178.52 1m72 h LEU 240 N 0.57 1.06 -0.24 1.64 3.38 -0.46 -0.93 115.31 120.34 1m72 h LEU 240 Ca 0.05 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1m72 h LEU 240 Cb 0.90 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1m72 h LEU 240 CO 0.08 1.10 0.12 -0.09 0.09 0.00 0.00 178.44 179.74 1m72 h ARG 241 N 0.99 0.34 -0.20 1.13 2.43 -0.69 0.45 114.38 118.83 1m72 h ARG 241 Ca 0.18 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.16 1m72 h ARG 241 Cb 0.55 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1m72 h ARG 241 CO 0.03 0.34 -0.46 -0.92 -1.51 0.00 0.00 179.97 177.45 1m72 h TYR 242 N 0.25 0.61 0.00 2.20 3.20 -0.81 -3.40 116.97 119.03 1m72 h TYR 242 Ca 0.08 -0.19 -0.04 0.00 3.14 0.00 0.00 58.73 61.72 1m72 h TYR 242 Cb 0.11 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.20 1m72 h TYR 242 CO -0.02 0.87 -0.29 0.00 -1.64 0.00 0.00 178.16 177.08 1m72 n ALA 243 N -2.50 2.32 0.25 1.82 0.00 -0.37 -4.93 120.51 117.10 1m72 n ALA 243 Ca -0.02 -0.61 0.17 0.00 0.00 0.00 0.00 53.44 52.97 1m72 n ALA 243 Cb 0.55 -0.26 0.89 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 0.10 0.00 1.43 0.00 0.00 -0.08 -1.15 103.07 103.37 1m72 h GLY 244 Ca -0.12 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.04 1m72 h GLY 244 CO -0.04 0.00 -1.12 -0.84 0.00 0.00 0.00 176.54 174.54 1m72 h THR 245 N 0.00 0.83 0.00 4.70 2.02 -1.88 -3.34 112.91 115.24 1m72 h THR 245 Ca 0.05 -2.36 -0.29 0.00 0.77 0.00 0.00 66.41 64.58 1m72 h THR 245 Cb 0.33 2.32 -0.05 0.00 -1.74 0.00 0.00 68.15 69.01 1m72 h THR 245 CO -0.00 0.47 -2.04 -0.62 0.37 0.00 0.00 175.52 173.71 1m72 n GLU 246 N -3.08 0.43 -2.83 6.66 1.02 -0.77 -1.13 120.64 120.95 1m72 n GLU 246 Ca -0.06 0.13 -0.37 0.00 -0.02 0.00 0.00 57.16 56.84 1m72 n GLU 246 Cb 0.85 -1.30 -0.06 0.00 -0.02 0.00 0.00 31.44 30.90 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 -2.36 4.52 0.55 3.49 0.52 -0.51 -4.93 118.95 120.24 1m72 s ARG 247 Ca -0.25 1.25 -0.20 0.00 -0.52 0.00 0.00 55.73 56.02 1m72 s ARG 247 Cb 0.08 -2.78 -0.05 0.00 0.52 0.00 0.00 34.95 32.72 1m72 s ARG 247 CO 0.39 0.28 1.17 0.16 0.02 0.00 0.00 175.30 177.31 1m72 s ASP 248 N -1.65 5.56 0.34 0.23 1.47 -1.26 -4.63 116.67 116.73 1m72 s ASP 248 Ca 0.50 2.28 0.09 0.00 1.18 0.00 0.00 52.55 56.59 1m72 s ASP 248 Cb -0.18 -2.59 0.81 0.00 -0.34 0.00 0.00 42.92 40.62 1m72 s ASP 248 CO 0.23 -1.33 1.82 -0.29 0.68 0.00 0.00 175.17 176.28 1m72 h ILE 249 N 1.15 0.76 -0.03 2.11 6.09 -1.48 -0.87 117.51 125.25 1m72 h ILE 249 Ca -0.50 -0.24 -0.15 0.00 -1.37 0.00 0.00 64.86 62.59 1m72 h ILE 249 Cb 1.27 -0.00 -0.01 0.00 0.47 0.00 0.00 36.82 38.55 1m72 h ILE 249 CO 0.57 0.13 -0.68 -0.07 -3.07 0.00 0.00 178.15 175.02 1m72 h LEU 250 N 0.70 0.17 -0.23 2.19 3.38 -1.91 0.24 115.31 119.85 1m72 h LEU 250 Ca 0.51 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 58.27 1m72 h LEU 250 Cb 0.87 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1m72 h LEU 250 CO -0.28 0.80 -0.26 0.74 0.09 0.00 0.00 178.44 179.53 1m72 h THR 251 N 0.10 1.32 -0.61 0.22 2.02 -1.67 -1.51 112.91 112.78 1m72 h THR 251 Ca -0.01 -1.44 -0.02 0.00 0.77 0.00 0.00 66.41 65.70 1m72 h THR 251 Cb 1.21 1.73 -0.03 0.00 -1.74 0.00 0.00 68.15 69.33 1m72 h THR 251 CO 0.10 0.45 0.29 0.25 0.37 0.00 0.00 175.52 176.98 1m72 h LEU 252 N 0.27 0.80 -1.03 2.58 6.46 -0.96 -2.30 115.31 121.14 1m72 h LEU 252 Ca 0.03 -0.13 -0.10 0.00 -0.12 0.00 0.00 57.88 57.55 1m72 h LEU 252 Cb 0.83 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 1m72 h LEU 252 CO 0.06 0.71 -0.48 -0.07 -0.62 0.00 0.00 178.44 178.05 1m72 h LEU 253 N 0.84 0.02 -0.64 2.25 3.38 -0.53 -1.60 115.31 119.03 1m72 h LEU 253 Ca 0.21 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.18 1m72 h LEU 253 Cb 0.13 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1m72 h LEU 253 CO -0.03 0.50 0.42 0.74 0.09 0.00 0.00 178.44 180.16 1m72 h THR 254 N 0.02 1.15 0.00 0.22 2.02 -0.72 0.15 112.91 115.75 1m72 h THR 254 Ca -0.00 -0.29 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 1m72 h THR 254 Cb 0.85 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1m72 h THR 254 CO 0.06 0.16 -0.33 -0.26 0.37 0.00 0.00 175.52 175.52 1m72 h PHE 255 N 0.85 0.00 -0.24 3.16 0.05 -1.04 0.00 116.94 119.73 1m72 h PHE 255 Ca 0.24 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.99 1m72 h PHE 255 Cb -0.08 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 37.86 1m72 h PHE 255 CO -0.03 0.33 -0.00 0.28 -0.18 0.00 0.00 178.31 178.70 1m72 h VAL 256 N 0.00 1.26 -0.85 -0.55 2.07 -0.63 0.16 116.25 117.71 1m72 h VAL 256 Ca -0.00 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.63 1m72 h VAL 256 Cb 0.94 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 1m72 h VAL 256 CO 0.04 0.28 0.56 0.00 0.02 0.00 0.00 177.57 178.48 1m72 h GLN 258 N 1.15 0.79 0.22 0.00 4.15 -0.67 0.37 115.11 121.12 1m72 h GLN 258 Ca 0.31 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 1m72 h GLN 258 Cb -0.12 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.43 1m72 h GLN 258 CO -0.07 0.67 -0.11 0.87 -1.93 0.00 0.00 178.83 178.26 1m72 h LYS 259 N 0.73 -0.29 -0.67 1.69 1.57 0.06 0.27 116.57 119.94 1m72 h LYS 259 Ca 0.18 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.07 1m72 h LYS 259 Cb 0.15 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.45 1m72 h LYS 259 CO -0.02 -0.07 0.31 0.28 -0.57 0.00 0.00 179.45 179.38 1m72 h VAL 260 N -0.46 0.83 0.00 0.50 2.07 -0.99 0.35 116.25 118.54 1m72 h VAL 260 Ca -0.03 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 1m72 h VAL 260 Cb 0.35 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1m72 h VAL 260 CO 0.05 0.10 -0.49 0.00 0.02 0.00 0.00 177.57 177.24 1m72 h ALA 261 N 1.42 1.15 0.00 1.67 0.00 0.01 -3.33 119.26 120.18 1m72 h ALA 261 Ca 0.33 -0.45 -0.33 0.00 0.00 0.00 0.00 54.91 54.46 1m72 h ALA 261 Cb 0.36 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1m72 h ALA 261 CO -0.27 0.62 -2.26 1.28 0.00 0.00 0.00 179.25 178.61 1m72 n LEU 262 N -3.90 2.50 -0.72 0.00 4.77 0.06 -4.73 117.00 114.98 1m72 n LEU 262 Ca -0.01 -0.10 0.13 0.00 -0.03 0.00 0.00 56.01 55.99 1m72 n LEU 262 Cb 0.52 -0.59 0.33 0.00 -2.33 0.00 0.00 43.42 41.35 1m72 n LEU 262 CO 0.40 0.81 0.76 0.47 -1.33 0.00 0.00 177.39 178.50 1m72 n ASP 263 N -3.07 2.22 -4.22 -1.43 8.00 0.12 -4.89 116.55 113.27 1m72 n ASP 263 Ca -0.38 -1.75 -0.22 0.00 0.71 0.00 0.00 54.79 53.15 1m72 n ASP 263 Cb 0.95 -0.05 -0.13 0.00 -0.02 0.00 0.00 41.12 41.87 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 -1.90 1.54 -0.27 1.24 0.08 -1.25 -5.05 117.98 112.36 1m72 s PHE 264 Ca 0.34 -0.40 -0.19 0.00 0.12 0.00 0.00 56.93 56.80 1m72 s PHE 264 Cb 0.20 -0.88 0.08 0.00 -0.57 0.00 0.00 43.02 41.85 1m72 s PHE 264 CO 0.31 0.11 0.70 -2.00 -0.10 0.00 0.00 175.22 174.23 1m72 s GLU 265 N -1.50 0.76 0.42 0.44 2.12 -1.26 -4.73 118.70 114.94 1m72 s GLU 265 Ca 0.04 1.13 -0.25 0.00 0.36 0.00 0.00 54.97 56.25 1m72 s GLU 265 Cb -0.09 0.24 -0.08 0.00 0.26 0.00 0.00 34.13 34.46 1m72 s GLU 265 CO 0.02 -0.13 1.27 -1.54 -0.54 0.00 0.00 175.26 174.35 1m72 s SER 266 N 1.14 6.25 -0.38 -1.70 1.04 0.48 -4.83 113.70 115.69 1m72 s SER 266 Ca -0.06 2.58 -0.01 0.00 0.48 0.00 0.00 55.95 58.93 1m72 s SER 266 Cb -0.05 -2.63 0.10 0.00 0.10 0.00 0.00 66.02 63.54 1m72 s SER 266 CO -0.12 -0.89 0.15 0.21 0.98 0.00 0.00 173.24 173.57 1m72 s ASN 267 N -0.88 5.11 -0.40 7.02 3.04 -1.26 -0.68 114.94 126.89 1m72 s ASN 267 Ca 0.59 -1.96 0.06 0.00 0.04 0.00 0.00 52.86 51.59 1m72 s ASN 267 Cb -0.36 -1.77 0.22 0.00 -1.54 0.00 0.00 41.25 37.80 1m72 s ASN 267 CO 0.46 -0.47 0.45 0.00 -3.04 0.00 0.00 177.10 174.50 1m72 n ALA 268 N 4.53 2.54 0.27 1.71 0.00 -1.26 -4.96 120.51 123.33 1m72 n ALA 268 Ca -0.02 -3.24 0.13 0.00 0.00 0.00 0.00 53.44 50.30 1m72 n ALA 268 Cb 0.42 -0.80 0.81 0.00 0.00 0.00 0.00 19.45 19.88 1m72 n ALA 268 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1m72 h PRO 269 N 4.67 0.00 0.00 0.00 0.11 -1.95 -1.66 132.00 133.17 1m72 h PRO 269 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1m72 h PRO 269 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1m72 h PRO 269 CO 0.42 0.00 0.00 0.38 -0.21 0.00 0.00 178.00 178.59 1m72 h ASP 270 N 0.00 0.00 -2.95 -2.05 2.03 -2.01 -3.38 116.42 108.06 1m72 h ASP 270 Ca 0.02 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.74 1m72 h ASP 270 Cb 0.08 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.18 1m72 h ASP 270 CO -0.00 0.00 -0.79 -0.55 -1.03 0.00 0.00 179.24 176.87 1m72 s SER 271 N -5.65 3.44 0.26 4.15 0.15 -0.62 -5.01 113.70 110.42 1m72 s SER 271 Ca 0.01 -2.00 -0.07 0.00 0.70 0.00 0.00 55.95 54.58 1m72 s SER 271 Cb 0.09 -0.62 0.46 0.00 -1.71 0.00 0.00 66.02 64.24 1m72 s SER 271 CO 0.53 -0.35 1.59 0.00 1.20 0.00 0.00 173.24 176.22 1m72 h ALA 272 N 7.43 0.73 0.00 5.45 0.00 -1.76 0.32 119.26 131.43 1m72 h ALA 272 Ca -0.05 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1m72 h ALA 272 Cb 0.98 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 1m72 h ALA 272 CO 0.39 -0.43 -0.05 0.00 0.00 0.00 0.00 179.25 179.15 1m72 h MET 273 N 0.02 0.00 -0.28 0.00 -0.00 -1.95 -1.38 114.93 111.35 1m72 h MET 273 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.15 1m72 h MET 273 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.37 1m72 h MET 273 CO -0.86 0.05 0.00 -1.33 -0.00 0.00 0.00 176.91 174.78 1m72 n MET 274 N -3.56 2.35 -3.51 -0.10 2.00 0.11 -4.94 117.12 109.47 1m72 n MET 274 Ca -0.02 -2.03 -0.38 0.00 0.00 0.00 0.00 57.70 55.28 1m72 n MET 274 Cb 0.17 -1.49 -0.06 0.00 0.00 0.00 0.00 33.22 31.84 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 -1.65 3.64 -1.24 2.03 2.46 -0.52 -4.27 115.29 115.74 1m72 s HIS 275 Ca 0.36 0.87 -0.08 0.00 0.47 0.00 0.00 55.06 56.68 1m72 s HIS 275 Cb 0.22 -2.31 0.01 0.00 -0.13 0.00 0.00 32.58 30.37 1m72 s HIS 275 CO 0.31 0.51 1.08 1.04 -2.47 0.00 0.00 174.74 175.21 1m72 n GLN 276 N 2.42 -7.30 -3.29 2.88 6.02 0.15 -4.94 117.38 113.31 1m72 n GLN 276 Ca -0.13 0.76 -0.30 0.00 -0.01 0.00 0.00 57.00 57.32 1m72 n GLN 276 Cb 0.52 -5.60 -0.04 0.00 1.02 0.00 0.00 30.24 26.15 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 -6.20 3.69 0.35 -1.09 -1.52 -1.26 -4.68 119.66 108.95 1m72 s GLN 277 Ca 0.54 0.12 0.08 0.00 -1.95 0.00 0.00 55.36 54.15 1m72 s GLN 277 Cb -0.24 -2.61 -0.05 0.00 -0.22 0.00 0.00 33.01 29.89 1m72 s GLN 277 CO 0.66 0.20 0.11 0.15 -0.25 0.00 0.00 175.29 176.17 1m72 s LYS 278 N -3.43 2.27 -0.15 2.91 -0.14 0.11 -0.39 119.74 120.92 1m72 s LYS 278 Ca 0.46 -1.65 -0.16 0.00 -1.36 0.00 0.00 55.97 53.26 1m72 s LYS 278 Cb -0.11 -2.08 0.04 0.00 -1.68 0.00 0.00 37.83 34.01 1m72 s LYS 278 CO 0.28 0.08 0.44 -1.14 -0.76 0.00 0.00 175.35 174.26 1m72 s GLN 279 N -3.82 0.56 -0.01 1.68 0.74 -1.26 -4.27 119.66 113.28 1m72 s GLN 279 Ca 0.37 0.52 0.03 0.00 0.05 0.00 0.00 55.36 56.34 1m72 s GLN 279 Cb -0.01 0.27 -0.01 0.00 1.10 0.00 0.00 33.01 34.36 1m72 s GLN 279 CO 0.22 -0.09 -0.11 0.54 -0.55 0.00 0.00 175.29 175.30 1m72 s VAL 280 N 0.00 0.89 0.94 1.34 0.11 -1.26 -3.21 120.40 119.22 1m72 s VAL 280 Ca -0.02 -0.49 -0.14 0.00 -2.93 0.00 0.00 61.98 58.40 1m72 s VAL 280 Cb -0.03 -0.75 0.16 0.00 -1.53 0.00 0.00 36.38 34.23 1m72 s VAL 280 CO 0.01 0.25 1.21 -2.84 -3.33 0.00 0.00 175.10 170.40 1m72 s PRO 281 N -0.27 0.87 -0.24 1.54 0.02 -1.23 -3.48 135.00 132.20 1m72 s PRO 281 Ca 0.04 -0.05 0.00 0.00 0.02 0.00 0.00 61.00 61.02 1m72 s PRO 281 Cb -0.04 -1.84 0.07 0.00 0.02 0.00 0.00 34.50 32.70 1m72 s PRO 281 CO -0.00 -2.31 -0.02 0.00 -0.33 0.00 0.00 177.00 174.33 1m72 s ILE 283 N 1.45 5.25 -0.25 0.00 -1.09 -1.26 -1.78 121.20 123.51 1m72 s ILE 283 Ca -0.02 0.26 -0.04 0.00 -2.23 0.00 0.00 60.65 58.61 1m72 s ILE 283 Cb -0.18 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 1m72 s ILE 283 CO -0.09 0.16 -0.01 -0.89 -1.23 0.00 0.00 174.94 172.89 1m72 s THR 284 N 1.89 3.47 -0.13 2.92 2.01 0.18 -5.00 115.64 120.99 1m72 s THR 284 Ca 0.10 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.47 1m72 s THR 284 Cb -0.16 -2.68 0.01 0.00 0.01 0.00 0.00 72.50 69.67 1m72 s THR 284 CO 0.11 0.27 -0.22 -0.55 -0.69 0.00 0.00 174.62 173.53 1m72 s SER 285 N 1.46 3.13 -0.15 3.53 0.15 -1.26 -0.33 113.70 120.22 1m72 s SER 285 Ca 0.04 -0.58 0.17 0.00 0.70 0.00 0.00 55.95 56.27 1m72 s SER 285 Cb -0.16 -1.44 0.43 0.00 -1.71 0.00 0.00 66.02 63.15 1m72 s SER 285 CO -0.02 0.11 1.32 0.23 1.20 0.00 0.00 173.24 176.08 1m72 n MET 286 N 3.86 2.44 -2.08 5.44 2.81 0.86 -5.03 117.12 125.42 1m72 n MET 286 Ca -0.20 -2.68 -0.42 0.00 -1.81 0.00 0.00 57.70 52.59 1m72 n MET 286 Cb 0.52 -1.68 -0.03 0.00 -0.71 0.00 0.00 33.22 31.32 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 -2.68 4.36 0.00 4.03 1.43 -1.23 -0.40 118.68 124.19 1m72 s LEU 287 Ca 0.37 2.41 0.22 0.00 -1.03 0.00 0.00 54.13 56.10 1m72 s LEU 287 Cb 0.30 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.86 1m72 s LEU 287 CO 0.07 -0.74 1.02 0.35 0.23 0.00 0.00 176.35 177.29 1m72 n THR 288 N 4.12 0.00 -4.13 5.49 -2.24 -1.26 -4.90 114.28 111.36 1m72 n THR 288 Ca 0.13 -0.12 -0.09 0.00 -2.27 0.00 0.00 64.05 61.70 1m72 n THR 288 Cb 0.41 1.08 -0.10 0.00 -2.10 0.00 0.00 70.33 69.62 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 -2.75 0.77 0.43 -0.78 0.52 -1.26 -5.02 118.95 110.86 1m72 s ARG 289 Ca 0.13 -1.33 -0.23 0.00 -0.52 0.00 0.00 55.73 53.79 1m72 s ARG 289 Cb 0.17 0.17 -0.09 0.00 0.52 0.00 0.00 34.95 35.72 1m72 s ARG 289 CO 0.72 -0.16 1.04 -0.51 0.02 0.00 0.00 175.30 176.41 1m72 s LEU 290 N -2.99 4.05 -0.26 2.53 1.43 0.42 -4.75 118.68 119.09 1m72 s LEU 290 Ca 0.15 2.00 0.02 0.00 -1.03 0.00 0.00 54.13 55.27 1m72 s LEU 290 Cb 0.08 -4.31 0.07 0.00 0.03 0.00 0.00 46.19 42.05 1m72 s LEU 290 CO -0.04 -0.58 -0.07 -0.22 0.23 0.00 0.00 176.35 175.67 1m72 s LEU 291 N -2.91 3.32 -0.15 1.79 2.96 -1.26 -0.66 118.68 121.77 1m72 s LEU 291 Ca 0.61 -1.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.09 1m72 s LEU 291 Cb -0.20 -1.43 0.01 0.00 0.50 0.00 0.00 46.19 45.07 1m72 s LEU 291 CO 0.25 -0.24 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.16 1m72 s VAL 292 N 1.18 2.31 0.03 1.68 1.01 -1.26 -1.03 120.40 124.31 1m72 s VAL 292 Ca -0.05 -0.89 -0.22 0.00 0.00 0.00 0.00 61.98 60.82 1m72 s VAL 292 Cb -0.19 -1.95 -0.16 0.00 0.00 0.00 0.00 36.38 34.08 1m72 s VAL 292 CO -0.06 0.53 1.33 -0.26 0.00 0.00 0.00 175.10 176.64 1m72 h PHE 293 N 7.39 0.33 -0.06 5.22 0.04 -1.74 -3.45 116.94 124.66 1m72 h PHE 293 Ca -0.34 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.34 1m72 h PHE 293 Cb 1.19 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.27 1m72 h PHE 293 CO 0.49 0.68 0.00 0.41 -0.60 0.00 0.00 178.31 179.29 1m72 n GLY 294 N 0.19 0.98 3.17 -1.45 0.00 -0.28 -4.97 105.19 102.83 1m72 n GLY 294 Ca -0.07 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1m72 n GLY 294 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49