#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m72 s ALA 42 N 0.00 0.67 0.26 3.52 0.00 -1.26 -5.02 121.76 119.93 1m72 s ALA 42 Ca 0.00 -1.24 -0.29 0.00 0.00 0.00 0.00 51.96 50.42 1m72 s ALA 42 Cb 0.00 0.23 -0.09 0.00 0.00 0.00 0.00 23.12 23.26 1m72 s ALA 42 CO 0.00 -0.32 1.16 0.50 0.00 0.00 0.00 175.76 177.11 1m72 s ARG 43 N -3.83 4.55 -0.34 0.00 3.52 -1.26 -4.99 118.95 116.60 1m72 s ARG 43 Ca 0.08 1.89 -0.29 0.00 -0.13 0.00 0.00 55.73 57.29 1m72 s ARG 43 Cb 0.07 -3.18 0.02 0.00 -1.56 0.00 0.00 34.95 30.29 1m72 s ARG 43 CO -0.08 0.06 1.15 1.41 -0.81 0.00 0.00 175.30 177.02 1m72 s MET 44 N -1.14 3.97 0.08 5.12 -2.45 -1.26 -4.88 119.30 118.73 1m72 s MET 44 Ca 0.48 1.03 0.25 0.00 -1.25 0.00 0.00 55.69 56.20 1m72 s MET 44 Cb -0.33 -3.80 0.61 0.00 1.25 0.00 0.00 34.83 32.55 1m72 s MET 44 CO 0.42 -1.05 1.52 -0.35 1.05 0.00 0.00 175.02 176.61 1m72 n PRO 45 N 7.16 0.15 -3.54 4.11 -0.04 -1.26 -4.93 135.00 136.66 1m72 n PRO 45 Ca 0.13 0.06 -0.13 0.00 -0.04 0.00 0.00 63.50 63.52 1m72 n PRO 45 Cb 0.47 -1.62 -0.05 0.00 -0.04 0.00 0.00 33.50 32.27 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 -3.08 0.00 0.71 0.52 0.11 -1.26 -4.63 120.40 112.77 1m72 s VAL 46 Ca 0.10 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.00 1m72 s VAL 46 Cb 0.15 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 34.03 1m72 s VAL 46 CO 0.66 0.00 1.18 1.51 -3.33 0.00 0.00 175.10 175.12 1m72 s ASP 47 N -1.42 4.42 0.23 3.54 -4.77 -1.26 -4.91 116.67 112.50 1m72 s ASP 47 Ca -0.04 2.25 -0.15 0.00 -3.30 0.00 0.00 52.55 51.31 1m72 s ASP 47 Cb -0.00 -2.58 0.27 0.00 -1.09 0.00 0.00 42.92 39.52 1m72 s ASP 47 CO 0.02 -2.11 1.58 -0.09 0.70 0.00 0.00 175.17 175.28 1m72 h ARG 48 N -0.24 -0.04 -0.60 2.11 2.43 -2.00 -2.43 114.38 113.61 1m72 h ARG 48 Ca -0.47 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.69 1m72 h ARG 48 Cb 1.28 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1m72 h ARG 48 CO 0.51 -0.03 0.01 0.09 -1.51 0.00 0.00 179.97 179.04 1m72 n ASN 49 N -5.50 5.64 -4.76 -3.80 3.02 -1.26 -5.00 115.26 103.61 1m72 n ASN 49 Ca 0.10 -2.93 -0.41 0.00 -0.03 0.00 0.00 54.58 51.31 1m72 n ASN 49 Cb 0.40 -0.69 -0.02 0.00 -0.61 0.00 0.00 39.78 38.86 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 -2.74 3.59 -0.06 5.41 0.00 -0.92 -4.89 121.76 122.15 1m72 s ALA 50 Ca 0.54 1.38 0.23 0.00 0.00 0.00 0.00 51.96 54.11 1m72 s ALA 50 Cb 0.41 -3.55 0.67 0.00 0.00 0.00 0.00 23.12 20.64 1m72 s ALA 50 CO 0.16 -0.80 1.72 -1.00 0.00 0.00 0.00 175.76 175.83 1m72 h PRO 51 N 4.14 0.00 -6.74 0.00 0.13 -1.94 -3.46 132.00 124.13 1m72 h PRO 51 Ca -0.48 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.98 1m72 h PRO 51 Cb 1.22 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.16 1m72 h PRO 51 CO 0.72 0.21 -0.82 0.71 -0.23 0.00 0.00 178.00 178.58 1m72 s TYR 52 N -3.40 2.45 0.59 1.56 1.51 -1.26 -0.82 117.35 117.97 1m72 s TYR 52 Ca 0.03 -0.31 -0.17 0.00 -1.01 0.00 0.00 57.07 55.61 1m72 s TYR 52 Cb 0.08 -1.29 -0.04 0.00 -0.11 0.00 0.00 41.96 40.61 1m72 s TYR 52 CO 0.65 0.40 1.08 0.71 -1.11 0.00 0.00 175.55 177.28 1m72 s TYR 53 N -1.24 2.86 -0.59 2.71 2.02 -0.63 -4.83 117.35 117.65 1m72 s TYR 53 Ca 0.18 1.53 -0.26 0.00 -0.37 0.00 0.00 57.07 58.15 1m72 s TYR 53 Cb -0.10 -3.10 0.04 0.00 -0.40 0.00 0.00 41.96 38.40 1m72 s TYR 53 CO 0.09 -1.28 1.07 1.21 -1.57 0.00 0.00 175.55 175.08 1m72 s ASN 54 N -2.47 6.35 -0.51 2.29 2.47 -1.26 -4.85 114.94 116.95 1m72 s ASN 54 Ca 0.66 -0.24 0.02 0.00 0.42 0.00 0.00 52.86 53.72 1m72 s ASN 54 Cb -0.18 -2.49 0.51 0.00 -1.45 0.00 0.00 41.25 37.64 1m72 s ASN 54 CO 0.34 -1.40 1.80 0.23 -3.72 0.00 0.00 177.10 174.34 1m72 n MET 55 N 8.05 2.62 -1.46 0.43 2.81 -1.26 -4.54 117.12 123.76 1m72 n MET 55 Ca 0.04 -3.36 -0.14 0.00 -1.81 0.00 0.00 57.70 52.44 1m72 n MET 55 Cb 0.48 -2.20 0.09 0.00 -0.71 0.00 0.00 33.22 30.89 1m72 n MET 55 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1m72 n ASN 56 N -0.97 3.87 -4.83 7.83 5.15 -1.26 -4.93 115.26 120.11 1m72 n ASN 56 Ca 0.55 -3.81 -0.28 0.00 -0.60 0.00 0.00 54.58 50.44 1m72 n ASN 56 Cb 0.99 -0.45 0.09 0.00 -0.53 0.00 0.00 39.78 39.89 1m72 n ASN 56 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1m72 s HIS 57 N -3.47 2.81 0.16 1.20 3.76 -1.26 -4.98 115.29 113.50 1m72 s HIS 57 Ca 0.47 0.64 -0.16 0.00 -0.15 0.00 0.00 55.06 55.87 1m72 s HIS 57 Cb 0.40 -3.50 0.08 0.00 1.11 0.00 0.00 32.58 30.67 1m72 s HIS 57 CO 0.00 -1.79 1.76 -0.22 -0.85 0.00 0.00 174.74 173.64 1m72 h LYS 58 N -1.02 0.31 -6.59 1.40 3.64 -1.91 -3.43 116.57 108.97 1m72 h LYS 58 Ca -0.45 -0.02 -0.65 0.00 -1.27 0.00 0.00 60.65 58.25 1m72 h LYS 58 Cb 1.32 -0.07 -0.17 0.00 -0.41 0.00 0.00 32.23 32.90 1m72 h LYS 58 CO 0.62 0.21 -0.77 -1.01 -2.27 0.00 0.00 179.45 176.22 1m72 s HIS 59 N -6.15 2.54 0.06 1.91 3.76 0.62 -5.02 115.29 113.02 1m72 s HIS 59 Ca -0.13 -0.26 -0.22 0.00 -0.15 0.00 0.00 55.06 54.30 1m72 s HIS 59 Cb 0.12 -1.29 -0.13 0.00 1.11 0.00 0.00 32.58 32.39 1m72 s HIS 59 CO 0.72 0.46 1.56 -0.09 -0.85 0.00 0.00 174.74 176.53 1m72 h ARG 60 N 3.32 0.17 0.00 1.40 9.65 -1.83 -0.27 114.38 126.81 1m72 h ARG 60 Ca -0.48 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 1m72 h ARG 60 Cb 1.19 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 1m72 h ARG 60 CO 0.50 0.33 0.00 0.41 2.80 0.00 0.00 179.97 184.00 1m72 n GLY 61 N -0.55 1.62 3.78 2.80 0.00 -1.26 -1.31 105.19 110.27 1m72 n GLY 61 Ca -0.06 -2.05 -0.38 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.33 4.57 -0.23 1.61 -1.94 -1.25 -1.57 119.30 119.15 1m72 s MET 62 Ca 0.00 1.26 0.00 0.00 -1.71 0.00 0.00 55.69 55.24 1m72 s MET 62 Cb 0.00 -2.94 0.06 0.00 2.01 0.00 0.00 34.83 33.96 1m72 s MET 62 CO 0.00 0.37 -0.04 0.00 -0.01 0.00 0.00 175.02 175.34 1m72 s ALA 63 N -1.49 1.81 -0.22 3.03 0.00 -0.93 -1.50 121.76 122.47 1m72 s ALA 63 Ca 0.46 -1.25 -0.08 0.00 0.00 0.00 0.00 51.96 51.09 1m72 s ALA 63 Cb -0.20 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 1m72 s ALA 63 CO 0.25 -1.18 0.09 0.42 0.00 0.00 0.00 175.76 175.34 1m72 s ILE 64 N 1.47 4.81 -0.22 0.00 1.01 0.21 -1.14 121.20 127.33 1m72 s ILE 64 Ca -0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.55 1m72 s ILE 64 Cb -0.19 -3.22 -0.00 0.00 0.01 0.00 0.00 42.46 39.06 1m72 s ILE 64 CO -0.06 0.38 -0.06 -0.63 0.00 0.00 0.00 174.94 174.57 1m72 s ILE 65 N 0.97 3.24 -0.46 2.92 1.01 0.50 -0.14 121.20 129.24 1m72 s ILE 65 Ca 0.05 -0.57 -0.12 0.00 0.00 0.00 0.00 60.65 60.01 1m72 s ILE 65 Cb -0.14 -2.48 0.09 0.00 0.01 0.00 0.00 42.46 39.94 1m72 s ILE 65 CO 0.03 0.42 0.35 -0.36 0.00 0.00 0.00 174.94 175.38 1m72 s PHE 66 N 1.45 3.30 -0.25 3.97 0.40 0.25 0.64 117.98 127.75 1m72 s PHE 66 Ca 0.05 -1.30 -0.09 0.00 -0.60 0.00 0.00 56.93 54.99 1m72 s PHE 66 Cb -0.14 -3.20 -0.04 0.00 0.51 0.00 0.00 43.02 40.15 1m72 s PHE 66 CO -0.04 -0.86 0.13 1.21 0.70 0.00 0.00 175.22 176.35 1m72 s ASN 67 N 2.54 5.67 -0.26 1.36 3.04 -0.90 -1.28 114.94 125.12 1m72 s ASN 67 Ca 0.04 -0.04 0.01 0.00 0.04 0.00 0.00 52.86 52.90 1m72 s ASN 67 Cb -0.25 -2.03 0.05 0.00 -1.54 0.00 0.00 41.25 37.49 1m72 s ASN 67 CO 0.04 0.01 -0.09 -1.00 -3.04 0.00 0.00 177.10 173.02 1m72 s HIS 68 N 1.39 3.20 -0.16 0.43 3.76 -0.27 -0.56 115.29 123.07 1m72 s HIS 68 Ca 0.06 -2.06 0.13 0.00 -0.15 0.00 0.00 55.06 53.04 1m72 s HIS 68 Cb -0.15 -1.99 -0.19 0.00 1.11 0.00 0.00 32.58 31.37 1m72 s HIS 68 CO 0.06 -0.84 0.03 -1.91 -0.85 0.00 0.00 174.74 171.23 1m72 n GLU 69 N 4.52 1.29 -4.16 1.40 2.13 -1.26 -4.63 120.64 119.94 1m72 n GLU 69 Ca -0.15 0.01 -0.17 0.00 0.66 0.00 0.00 57.16 57.51 1m72 n GLU 69 Cb 0.44 -1.41 -0.12 0.00 0.27 0.00 0.00 31.44 30.62 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 -2.39 1.12 0.03 4.31 3.76 -1.26 -0.73 115.29 120.13 1m72 s HIS 70 Ca -0.10 -0.49 0.04 0.00 -0.15 0.00 0.00 55.06 54.36 1m72 s HIS 70 Cb 0.05 -0.63 -0.02 0.00 1.11 0.00 0.00 32.58 33.09 1m72 s HIS 70 CO 0.63 0.03 -0.12 -0.06 -0.85 0.00 0.00 174.74 174.37 1m72 s PHE 71 N -1.42 1.09 -0.55 1.40 0.40 -1.26 -4.77 117.98 112.86 1m72 s PHE 71 Ca -0.02 -0.32 0.05 0.00 -0.60 0.00 0.00 56.93 56.04 1m72 s PHE 71 Cb -0.09 -0.66 0.37 0.00 0.51 0.00 0.00 43.02 43.14 1m72 s PHE 71 CO 0.02 0.01 1.16 -0.25 0.70 0.00 0.00 175.22 176.86 1m72 n ASP 72 N 2.11 3.24 -4.27 1.36 8.00 -0.14 -4.71 116.55 122.14 1m72 n ASP 72 Ca -0.17 -2.50 -0.37 0.00 0.71 0.00 0.00 54.79 52.45 1m72 n ASP 72 Cb 0.55 -0.60 -0.13 0.00 -0.02 0.00 0.00 41.12 40.92 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 -1.75 3.66 0.48 0.53 1.01 -1.26 -4.94 121.20 118.93 1m72 s ILE 73 Ca 0.26 -1.04 0.27 0.00 0.00 0.00 0.00 60.65 60.14 1m72 s ILE 73 Cb 0.20 -3.01 0.46 0.00 0.01 0.00 0.00 42.46 40.12 1m72 s ILE 73 CO 0.07 -0.07 1.82 -0.74 0.00 0.00 0.00 174.94 176.02 1m72 h HIS 74 N 8.18 0.28 -0.00 3.97 -0.00 -1.98 -1.33 115.15 124.26 1m72 h HIS 74 Ca -0.26 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 1m72 h HIS 74 Cb 1.09 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.42 1m72 h HIS 74 CO 0.60 0.04 -0.06 -1.13 -0.00 0.00 0.00 177.93 177.37 1m72 n SER 75 N -4.39 0.34 -4.53 3.26 3.41 -1.26 -4.77 113.62 105.68 1m72 n SER 75 Ca 0.23 -0.59 -0.37 0.00 -0.26 0.00 0.00 58.87 57.88 1m72 n SER 75 Cb 0.99 -0.11 -0.12 0.00 -0.26 0.00 0.00 64.21 64.72 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 -2.40 3.73 0.64 1.04 1.43 -0.50 -5.09 118.68 117.53 1m72 s LEU 76 Ca 0.32 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 53.22 1m72 s LEU 76 Cb 0.20 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 1m72 s LEU 76 CO 0.45 -0.02 1.04 -0.54 0.23 0.00 0.00 176.35 177.51 1m72 s LYS 77 N 1.55 3.44 0.54 1.70 1.02 -1.26 -4.68 119.74 122.05 1m72 s LYS 77 Ca 0.06 0.72 -0.20 0.00 0.02 0.00 0.00 55.97 56.57 1m72 s LYS 77 Cb -0.15 -2.06 -0.06 0.00 -0.52 0.00 0.00 37.83 35.04 1m72 s LYS 77 CO 0.06 -0.68 1.17 -1.12 -0.92 0.00 0.00 175.35 173.86 1m72 s SER 78 N -4.18 5.68 -1.09 2.83 0.01 -1.26 -4.82 113.70 110.86 1m72 s SER 78 Ca 0.56 2.29 -0.02 0.00 1.31 0.00 0.00 55.95 60.08 1m72 s SER 78 Cb -0.11 -2.59 0.28 0.00 0.21 0.00 0.00 66.02 63.81 1m72 s SER 78 CO 0.54 -1.26 1.91 0.54 0.41 0.00 0.00 173.24 175.39 1m72 n ARG 79 N -1.17 5.24 -1.65 12.44 1.74 0.09 -5.01 116.66 128.35 1m72 n ARG 79 Ca 0.11 -4.43 -0.47 0.00 -0.77 0.00 0.00 57.85 52.29 1m72 n ARG 79 Cb 0.50 -2.51 -0.04 0.00 -1.02 0.00 0.00 32.46 29.39 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 0.36 0.47 0.00 0.55 -1.04 -1.26 -1.79 114.28 111.57 1m72 n THR 80 Ca 0.49 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.38 1m72 n THR 80 Cb 0.26 -1.32 0.00 0.00 -1.82 0.00 0.00 70.33 67.46 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 2.63 2.63 0.27 3.41 0.00 -1.23 -4.16 105.19 108.74 1m72 n GLY 81 Ca 0.15 0.00 0.12 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 0.67 0.00 2.61 1.03 -1.67 -1.09 112.91 114.46 1m72 h THR 82 Ca 0.00 -0.34 -0.10 0.00 -0.01 0.00 0.00 66.41 65.95 1m72 h THR 82 Cb 0.00 1.21 -0.01 0.00 -1.07 0.00 0.00 68.15 68.27 1m72 h THR 82 CO 0.00 0.08 -0.49 0.78 -0.01 0.00 0.00 175.52 175.88 1m72 h ASN 83 N 0.00 0.00 -0.39 0.00 -0.26 -1.92 0.04 115.58 113.05 1m72 h ASN 83 Ca -0.00 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.66 1m72 h ASN 83 Cb 0.20 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.45 1m72 h ASN 83 CO 0.01 0.49 -0.08 0.58 -1.06 0.00 0.00 177.43 177.37 1m72 h VAL 84 N 0.00 1.27 -0.23 2.81 2.07 -1.57 -1.31 116.25 119.30 1m72 h VAL 84 Ca -0.00 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 1m72 h VAL 84 Cb 0.96 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1m72 h VAL 84 CO 0.06 0.39 0.12 0.44 0.02 0.00 0.00 177.57 178.60 1m72 h ASP 85 N 0.55 0.29 -0.33 0.57 3.32 -1.21 -1.04 116.42 118.56 1m72 h ASP 85 Ca 0.10 -0.10 0.03 0.00 0.02 0.00 0.00 57.03 57.08 1m72 h ASP 85 Cb 0.60 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 1m72 h ASP 85 CO 0.04 0.31 0.14 -1.28 -1.72 0.00 0.00 179.24 176.72 1m72 h SER 86 N 0.26 0.17 -0.13 6.45 0.87 -0.96 0.11 113.55 120.32 1m72 h SER 86 Ca 0.08 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1m72 h SER 86 Cb 0.08 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1m72 h SER 86 CO -0.01 0.14 0.04 0.44 -0.53 0.00 0.00 176.83 176.91 1m72 h ASP 87 N 0.29 0.18 -0.37 6.23 3.32 -1.10 -1.28 116.42 123.69 1m72 h ASP 87 Ca 0.15 -0.19 0.02 0.00 0.02 0.00 0.00 57.03 57.02 1m72 h ASP 87 Cb 0.10 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 1m72 h ASP 87 CO -0.13 0.33 0.21 -1.13 -1.72 0.00 0.00 179.24 176.80 1m72 h ASN 88 N 0.03 0.35 -0.32 6.45 -1.24 -1.00 -0.50 115.58 119.35 1m72 h ASN 88 Ca 0.04 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 56.93 1m72 h ASN 88 Cb 0.21 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 1m72 h ASN 88 CO -0.00 0.25 -0.30 0.25 -1.29 0.00 0.00 177.43 176.33 1m72 h LEU 89 N 0.44 0.83 -0.50 0.34 5.85 -0.72 -2.22 115.31 119.33 1m72 h LEU 89 Ca 0.15 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 58.44 1m72 h LEU 89 Cb 0.01 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 1m72 h LEU 89 CO -0.07 1.12 0.26 -1.28 -0.34 0.00 0.00 178.44 178.13 1m72 h SER 90 N 0.54 0.38 -0.32 1.25 0.87 -1.14 -0.54 113.55 114.60 1m72 h SER 90 Ca 0.05 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 1m72 h SER 90 Cb 0.88 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.78 1m72 h SER 90 CO 0.08 0.26 0.11 0.50 -0.53 0.00 0.00 176.83 177.25 1m72 h LYS 91 N 0.51 0.48 -0.29 2.24 3.64 -0.89 -2.08 116.57 120.18 1m72 h LYS 91 Ca 0.21 -0.10 -0.15 0.00 -1.27 0.00 0.00 60.65 59.35 1m72 h LYS 91 Cb 0.11 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1m72 h LYS 91 CO -0.14 0.51 -0.43 -0.24 -2.27 0.00 0.00 179.45 176.87 1m72 h VAL 92 N 0.36 1.29 0.00 2.00 3.04 -1.22 -2.77 116.25 118.94 1m72 h VAL 92 Ca 0.10 -1.62 -0.04 0.00 -1.01 0.00 0.00 66.70 64.13 1m72 h VAL 92 Cb 0.22 1.52 -0.01 0.00 -2.01 0.00 0.00 31.29 31.01 1m72 h VAL 92 CO -0.01 0.52 -0.21 -0.07 -1.01 0.00 0.00 177.57 176.79 1m72 h LEU 93 N 0.60 0.00 -0.26 3.16 3.38 -1.03 -2.46 115.31 118.71 1m72 h LEU 93 Ca 0.04 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1m72 h LEU 93 Cb 0.99 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1m72 h LEU 93 CO 0.09 0.21 -0.33 0.11 0.09 0.00 0.00 178.44 178.61 1m72 h LYS 94 N 0.00 0.68 0.00 1.13 1.57 -1.18 -0.88 116.57 117.89 1m72 h LYS 94 Ca -0.00 -0.39 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1m72 h LYS 94 Cb 0.45 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1m72 h LYS 94 CO 0.03 1.00 -0.02 1.79 -0.57 0.00 0.00 179.45 181.68 1m72 h THR 95 N 0.40 0.16 -0.01 -0.16 1.35 -1.17 0.50 112.91 113.97 1m72 h THR 95 Ca 0.03 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1m72 h THR 95 Cb 0.91 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1m72 h THR 95 CO 0.08 0.02 -0.14 0.18 -0.25 0.00 0.00 175.52 175.41 1m72 n LEU 96 N -3.27 1.38 0.00 3.87 4.77 -1.01 -4.95 117.00 117.79 1m72 n LEU 96 Ca -0.02 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 1m72 n LEU 96 Cb 0.15 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1m72 n LEU 96 CO 0.24 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1m72 n GLY 97 N 1.27 0.40 3.77 -0.72 0.00 0.17 -4.82 105.19 105.25 1m72 n GLY 97 Ca 0.15 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 2.73 -0.51 1.61 0.40 -0.37 -4.17 117.98 115.68 1m72 s PHE 98 Ca 0.00 1.50 -0.19 0.00 -0.60 0.00 0.00 56.93 57.63 1m72 s PHE 98 Cb 0.00 -3.48 0.06 0.00 0.51 0.00 0.00 43.02 40.10 1m72 s PHE 98 CO 0.00 -1.84 0.64 0.21 0.70 0.00 0.00 175.22 174.93 1m72 s LYS 99 N -2.74 3.14 -0.04 0.44 2.20 -0.61 -4.45 119.74 117.67 1m72 s LYS 99 Ca 0.65 -0.84 -0.22 0.00 -0.36 0.00 0.00 55.97 55.21 1m72 s LYS 99 Cb -0.32 -4.09 -0.04 0.00 -1.51 0.00 0.00 37.83 31.87 1m72 s LYS 99 CO 0.38 -1.23 0.64 0.08 -0.36 0.00 0.00 175.35 174.86 1m72 s VAL 100 N 2.71 5.00 -0.13 4.02 1.01 -1.26 -2.18 120.40 129.57 1m72 s VAL 100 Ca 0.16 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.46 1m72 s VAL 100 Cb -0.19 -3.98 0.02 0.00 0.00 0.00 0.00 36.38 32.24 1m72 s VAL 100 CO 0.12 0.33 -0.12 -0.89 0.00 0.00 0.00 175.10 174.54 1m72 s THR 101 N 0.37 1.36 -0.25 3.92 2.01 -0.29 -4.98 115.64 117.78 1m72 s THR 101 Ca 0.34 -0.51 -0.11 0.00 0.31 0.00 0.00 61.69 61.72 1m72 s THR 101 Cb -0.18 -1.30 -0.05 0.00 0.01 0.00 0.00 72.50 70.99 1m72 s THR 101 CO 0.17 0.42 0.17 -0.69 -0.69 0.00 0.00 174.62 174.00 1m72 s VAL 102 N 1.48 5.34 -0.43 3.82 1.01 -1.26 -0.37 120.40 129.99 1m72 s VAL 102 Ca 0.03 0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.13 1m72 s VAL 102 Cb -0.13 -3.51 0.10 0.00 0.00 0.00 0.00 36.38 32.83 1m72 s VAL 102 CO -0.08 0.32 0.26 -0.36 0.00 0.00 0.00 175.10 175.24 1m72 s PHE 103 N 1.23 3.41 -0.13 5.22 0.40 0.21 -4.95 117.98 123.37 1m72 s PHE 103 Ca 0.08 -1.83 -0.29 0.00 -0.60 0.00 0.00 56.93 54.29 1m72 s PHE 103 Cb -0.14 -3.14 -0.01 0.00 0.51 0.00 0.00 43.02 40.24 1m72 s PHE 103 CO 0.06 -0.92 0.97 -1.25 0.70 0.00 0.00 175.22 174.79 1m72 s PRO 104 N 1.34 4.39 -1.33 0.24 0.04 -1.26 -2.11 135.00 136.31 1m72 s PRO 104 Ca 0.04 1.31 -0.10 0.00 0.04 0.00 0.00 61.00 62.30 1m72 s PRO 104 Cb -0.24 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.75 1m72 s PRO 104 CO -0.00 -0.34 0.49 0.09 0.04 0.00 0.00 177.00 177.29 1m72 n ASN 105 N 5.13 -1.88 -4.87 6.66 3.02 0.27 -4.98 115.26 118.61 1m72 n ASN 105 Ca 0.08 -1.08 -0.31 0.00 -0.03 0.00 0.00 54.58 53.24 1m72 n ASN 105 Cb 0.49 -2.79 -0.01 0.00 -0.61 0.00 0.00 39.78 36.86 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 -6.96 3.45 0.60 3.41 1.43 -1.26 -4.67 118.68 114.69 1m72 s LEU 106 Ca 0.18 1.36 -0.10 0.00 -1.03 0.00 0.00 54.13 54.54 1m72 s LEU 106 Cb -0.08 -4.35 -0.04 0.00 0.03 0.00 0.00 46.19 41.75 1m72 s LEU 106 CO 0.91 -0.70 1.00 -0.54 0.23 0.00 0.00 176.35 177.24 1m72 s LYS 107 N -4.68 3.59 0.38 1.70 1.02 -1.26 -0.70 119.74 119.79 1m72 s LYS 107 Ca 0.55 0.69 0.12 0.00 0.02 0.00 0.00 55.97 57.34 1m72 s LYS 107 Cb -0.11 -2.12 0.91 0.00 -0.52 0.00 0.00 37.83 36.00 1m72 s LYS 107 CO 0.44 -0.53 1.86 1.03 -0.92 0.00 0.00 175.35 177.24 1m72 h SER 108 N -0.25 0.56 0.92 2.83 0.87 -1.91 0.01 113.55 116.57 1m72 h SER 108 Ca -0.44 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.08 1m72 h SER 108 Cb 1.19 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 1m72 h SER 108 CO 0.62 0.26 -0.41 -0.33 -0.53 0.00 0.00 176.83 176.44 1m72 h GLU 109 N 0.58 0.00 -0.08 2.24 4.39 -1.98 -1.48 114.58 118.25 1m72 h GLU 109 Ca 0.46 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 60.04 1m72 h GLU 109 Cb 0.88 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.54 1m72 h GLU 109 CO -0.20 0.41 -0.41 0.93 -1.16 0.00 0.00 179.01 178.58 1m72 h GLU 110 N 0.00 0.42 -0.08 2.33 5.08 -1.38 -0.93 114.58 120.01 1m72 h GLU 110 Ca -0.00 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1m72 h GLU 110 Cb 0.98 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1m72 h GLU 110 CO 0.05 0.98 0.05 0.82 -1.00 0.00 0.00 179.01 179.91 1m72 h ILE 111 N -0.03 1.07 -0.87 3.13 2.04 -1.29 -1.75 117.51 119.81 1m72 h ILE 111 Ca -0.03 -0.20 0.06 0.00 1.00 0.00 0.00 64.86 65.69 1m72 h ILE 111 Cb 1.06 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 38.14 1m72 h ILE 111 CO 0.08 0.06 0.57 -1.13 0.00 0.00 0.00 178.15 177.73 1m72 h ASN 112 N 0.05 0.88 0.13 1.72 -0.73 -1.26 -0.47 115.58 115.90 1m72 h ASN 112 Ca 0.03 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.19 1m72 h ASN 112 Cb 0.06 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 38.47 1m72 h ASN 112 CO -0.00 0.57 -0.06 0.50 -0.37 0.00 0.00 177.43 178.07 1m72 h LYS 113 N 1.00 -0.17 -0.20 6.67 3.64 -0.84 -1.83 116.57 124.84 1m72 h LYS 113 Ca 0.37 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.74 1m72 h LYS 113 Cb 0.16 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1m72 h LYS 113 CO -0.13 0.14 0.05 0.74 -2.27 0.00 0.00 179.45 177.98 1m72 h PHE 114 N -0.49 0.28 -0.12 1.91 0.04 -1.02 -0.86 116.94 116.69 1m72 h PHE 114 Ca -0.02 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 1m72 h PHE 114 Cb 0.39 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.44 1m72 h PHE 114 CO 0.03 0.26 0.00 0.82 -0.60 0.00 0.00 178.31 178.82 1m72 h ILE 115 N 0.29 1.25 -0.67 -0.55 1.08 -0.98 -0.66 117.51 117.27 1m72 h ILE 115 Ca 0.07 -0.79 -0.02 0.00 -0.39 0.00 0.00 64.86 63.74 1m72 h ILE 115 Cb 0.12 1.54 -0.03 0.00 -3.07 0.00 0.00 36.82 35.38 1m72 h ILE 115 CO -0.00 0.23 0.35 1.56 -0.69 0.00 0.00 178.15 179.59 1m72 h GLN 116 N -0.06 0.94 -0.27 2.37 4.20 -0.88 0.26 115.11 121.67 1m72 h GLN 116 Ca 0.03 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 1m72 h GLN 116 Cb 0.35 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1m72 h GLN 116 CO 0.01 0.73 -0.15 1.96 -0.67 0.00 0.00 178.83 180.70 1m72 h GLN 117 N 0.92 0.47 -0.43 1.46 4.20 -1.05 -0.56 115.11 120.12 1m72 h GLN 117 Ca 0.23 -0.14 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 1m72 h GLN 117 Cb 0.08 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1m72 h GLN 117 CO -0.03 0.61 -0.07 1.15 -0.67 0.00 0.00 178.83 179.81 1m72 h THR 118 N 0.43 1.27 0.00 -0.54 2.02 -0.57 -2.09 112.91 113.43 1m72 h THR 118 Ca 0.08 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.10 1m72 h THR 118 Cb 0.52 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1m72 h THR 118 CO 0.03 0.40 0.00 0.00 0.37 0.00 0.00 175.52 176.32 1m72 n ALA 119 N -2.45 1.55 0.92 6.16 0.00 0.03 -1.95 120.51 124.77 1m72 n ALA 119 Ca -0.00 0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.62 1m72 n ALA 119 Cb 0.35 -1.35 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 1m72 n ALA 119 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1m72 n GLU 120 N -2.13 0.05 -1.57 0.00 1.02 -0.31 -4.60 120.64 113.10 1m72 n GLU 120 Ca 0.02 -0.01 -0.29 0.00 -0.02 0.00 0.00 57.16 56.86 1m72 n GLU 120 Cb 0.19 -1.51 0.14 0.00 -0.02 0.00 0.00 31.44 30.25 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 -3.04 0.98 -0.45 3.49 -1.94 -0.82 -5.00 119.30 112.51 1m72 s MET 121 Ca 0.07 0.18 -0.18 0.00 -1.71 0.00 0.00 55.69 54.06 1m72 s MET 121 Cb 0.16 -1.83 0.04 0.00 2.01 0.00 0.00 34.83 35.21 1m72 s MET 121 CO 0.84 -2.29 0.49 0.34 -0.01 0.00 0.00 175.02 174.39 1m72 s ASP 122 N -4.15 6.20 -0.04 3.03 2.15 -1.26 -4.90 116.67 117.69 1m72 s ASP 122 Ca 0.65 -0.85 0.15 0.00 0.43 0.00 0.00 52.55 52.94 1m72 s ASP 122 Cb -0.13 -2.24 0.51 0.00 -0.30 0.00 0.00 42.92 40.77 1m72 s ASP 122 CO 0.53 -0.68 1.41 1.41 -0.17 0.00 0.00 175.17 177.67 1m72 n HIS 123 N 5.70 0.92 -0.32 -5.34 8.25 -1.26 -4.57 115.22 118.60 1m72 n HIS 123 Ca -0.08 -0.41 0.16 0.00 -0.26 0.00 0.00 57.72 57.14 1m72 n HIS 123 Cb 0.46 -0.09 0.35 0.00 1.12 0.00 0.00 29.99 31.83 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 3.15 0.37 -0.55 0.41 0.02 -1.91 -0.51 113.55 114.53 1m72 h SER 124 Ca 0.00 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1m72 h SER 124 Cb 0.93 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1m72 h SER 124 CO 0.08 -0.04 0.00 0.47 -1.14 0.00 0.00 176.83 176.21 1m72 n ASP 125 N -5.05 4.47 -4.69 3.07 8.00 -1.26 -4.92 116.55 116.17 1m72 n ASP 125 Ca 0.25 -2.50 -0.32 0.00 0.71 0.00 0.00 54.79 52.92 1m72 n ASP 125 Cb 0.74 -0.57 -0.09 0.00 -0.02 0.00 0.00 41.12 41.18 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 -2.01 3.30 0.23 2.24 0.00 -0.20 -0.27 121.76 125.05 1m72 s ALA 126 Ca 0.45 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.49 1m72 s ALA 126 Cb 0.31 -1.33 0.22 0.00 0.00 0.00 0.00 23.12 22.32 1m72 s ALA 126 CO 0.19 0.66 1.54 -0.44 0.00 0.00 0.00 175.76 177.71 1m72 h ASP 127 N 4.19 0.25 -1.32 0.00 3.32 0.30 -3.47 116.42 119.68 1m72 h ASP 127 Ca -0.49 -0.15 0.06 0.00 0.02 0.00 0.00 57.03 56.47 1m72 h ASP 127 Cb 1.17 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1m72 h ASP 127 CO 0.58 0.82 0.22 0.00 -1.72 0.00 0.00 179.24 179.14 1m72 s LEU 129 N 0.00 1.96 -0.08 0.00 2.96 -0.97 -3.88 118.68 118.68 1m72 s LEU 129 Ca 0.09 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 1m72 s LEU 129 Cb -0.01 -0.08 0.02 0.00 0.50 0.00 0.00 46.19 46.62 1m72 s LEU 129 CO 0.02 0.01 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.74 1m72 s LEU 130 N 0.01 1.50 -0.06 -0.68 0.20 -0.56 0.10 118.68 119.19 1m72 s LEU 130 Ca 0.00 -0.29 0.05 0.00 0.69 0.00 0.00 54.13 54.58 1m72 s LEU 130 Cb -0.01 -0.80 -0.01 0.00 -0.43 0.00 0.00 46.19 44.94 1m72 s LEU 130 CO -0.00 -0.02 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.14 1m72 s VAL 131 N 0.98 1.81 0.03 1.68 1.01 0.11 -0.62 120.40 125.39 1m72 s VAL 131 Ca -0.09 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.04 1m72 s VAL 131 Cb -0.15 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 1m72 s VAL 131 CO 0.00 0.51 -0.19 0.00 0.00 0.00 0.00 175.10 175.42 1m72 s ALA 132 N 0.02 1.58 -0.06 5.51 0.00 0.80 -0.78 121.76 128.84 1m72 s ALA 132 Ca -0.07 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 50.96 1m72 s ALA 132 Cb -0.14 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.68 1m72 s ALA 132 CO 0.04 0.36 -0.05 0.08 0.00 0.00 0.00 175.76 176.19 1m72 s VAL 133 N -0.70 0.61 -0.27 0.00 1.01 0.18 -0.58 120.40 120.65 1m72 s VAL 133 Ca 0.06 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.94 1m72 s VAL 133 Cb -0.08 -0.65 0.07 0.00 0.00 0.00 0.00 36.38 35.72 1m72 s VAL 133 CO 0.01 0.26 -0.06 -0.76 0.00 0.00 0.00 175.10 174.55 1m72 s LEU 134 N 1.12 3.53 0.00 3.92 1.43 -0.40 -0.27 118.68 128.01 1m72 s LEU 134 Ca -0.08 -1.53 -0.04 0.00 -1.03 0.00 0.00 54.13 51.45 1m72 s LEU 134 Cb -0.14 -1.47 0.02 0.00 0.03 0.00 0.00 46.19 44.62 1m72 s LEU 134 CO -0.01 -0.25 0.22 1.07 0.23 0.00 0.00 176.35 177.61 1m72 n THR 135 N 4.45 0.00 -3.34 5.49 5.66 -0.21 -1.11 114.28 125.22 1m72 n THR 135 Ca -0.09 -0.12 -0.32 0.00 -3.05 0.00 0.00 64.05 60.46 1m72 n THR 135 Cb 0.42 0.17 -0.06 0.00 -1.55 0.00 0.00 70.33 69.31 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 -5.29 3.43 0.23 1.09 3.76 -1.26 -4.01 115.29 113.24 1m72 s HIS 136 Ca 0.05 0.98 -0.12 0.00 -0.15 0.00 0.00 55.06 55.82 1m72 s HIS 136 Cb -0.01 -2.34 -0.00 0.00 1.11 0.00 0.00 32.58 31.34 1m72 s HIS 136 CO 0.01 0.24 0.45 0.20 -0.85 0.00 0.00 174.74 174.79 1m72 s GLY 137 N -2.28 0.51 0.27 -2.22 0.00 -1.25 -1.37 107.32 100.98 1m72 s GLY 137 Ca 0.48 -0.85 0.03 0.00 0.00 0.00 0.00 44.72 44.38 1m72 s GLY 137 CO 0.20 -0.65 0.19 -0.54 0.00 0.00 0.00 173.10 172.30 1m72 s GLU 138 N -4.01 1.48 0.10 2.90 2.02 -0.79 -4.22 118.70 116.18 1m72 s GLU 138 Ca 0.21 -1.83 -0.31 0.00 0.02 0.00 0.00 54.97 53.07 1m72 s GLU 138 Cb 0.00 0.21 -0.09 0.00 0.10 0.00 0.00 34.13 34.34 1m72 s GLU 138 CO 0.07 -0.49 1.74 -1.17 0.02 0.00 0.00 175.26 175.43 1m72 s LEU 139 N -3.28 4.38 -1.01 1.80 2.96 -1.08 -0.86 118.68 121.59 1m72 s LEU 139 Ca 0.39 2.63 0.00 0.00 -0.22 0.00 0.00 54.13 56.93 1m72 s LEU 139 Cb 0.05 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.17 1m72 s LEU 139 CO 0.19 -0.95 0.00 0.61 -1.32 0.00 0.00 176.35 174.88 1m72 n GLY 140 N 4.11 0.72 3.26 7.98 0.00 -1.26 -4.98 105.19 115.01 1m72 n GLY 140 Ca 0.17 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.48 0.43 0.09 1.61 0.00 -0.04 -4.34 119.30 113.57 1m72 s MET 141 Ca 0.00 0.51 0.08 0.00 0.00 0.00 0.00 55.69 56.28 1m72 s MET 141 Cb 0.00 0.21 -0.03 0.00 0.00 0.00 0.00 34.83 35.01 1m72 s MET 141 CO 0.00 -0.05 -0.22 -0.51 0.00 0.00 0.00 175.02 174.24 1m72 s LEU 142 N 0.20 2.27 -0.13 4.11 1.43 -0.48 -1.89 118.68 124.18 1m72 s LEU 142 Ca -0.00 -0.65 -0.04 0.00 -1.03 0.00 0.00 54.13 52.41 1m72 s LEU 142 Cb -0.03 -0.97 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 1m72 s LEU 142 CO 0.00 0.11 0.01 -0.31 0.23 0.00 0.00 176.35 176.40 1m72 s TYR 143 N -1.05 3.17 0.00 0.29 1.51 -0.47 -1.08 117.35 119.71 1m72 s TYR 143 Ca 0.08 0.06 0.00 0.00 -1.01 0.00 0.00 57.07 56.20 1m72 s TYR 143 Cb -0.10 -1.91 0.00 0.00 -0.11 0.00 0.00 41.96 39.85 1m72 s TYR 143 CO 0.04 0.28 0.00 0.00 -1.11 0.00 0.00 175.55 174.76 1m72 n ALA 144 N 2.81 0.00 -0.08 3.71 0.00 0.60 -4.59 120.51 122.96 1m72 n ALA 144 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.12 1m72 n ALA 144 Cb 0.53 0.00 -0.02 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 0.86 0.02 0.00 3.64 -1.18 -3.37 116.57 116.53 1m72 h LYS 145 Ca 0.00 -0.52 -0.37 0.00 -1.27 0.00 0.00 60.65 58.49 1m72 h LYS 145 Cb 0.00 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.81 1m72 h LYS 145 CO 0.00 1.16 -2.30 -0.40 -2.27 0.00 0.00 179.45 175.64 1m72 n ASP 146 N -4.01 1.32 -2.43 4.20 5.75 -1.26 -0.96 116.55 119.15 1m72 n ASP 146 Ca -0.04 0.01 -0.08 0.00 -0.01 0.00 0.00 54.79 54.68 1m72 n ASP 146 Cb 0.61 -0.04 0.01 0.00 -1.03 0.00 0.00 41.12 40.67 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 -3.13 0.00 -4.05 2.12 5.66 -1.26 -4.77 114.28 108.86 1m72 n THR 147 Ca -0.37 -0.91 -0.22 0.00 -3.05 0.00 0.00 64.05 59.50 1m72 n THR 147 Cb 1.05 0.79 -0.04 0.00 -1.55 0.00 0.00 70.33 70.59 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 -3.62 3.18 0.18 1.09 -3.43 -1.26 -0.29 115.29 111.13 1m72 s HIS 148 Ca 0.15 -0.10 -0.05 0.00 -0.80 0.00 0.00 55.06 54.26 1m72 s HIS 148 Cb -0.03 -1.48 -0.03 0.00 -1.43 0.00 0.00 32.58 29.61 1m72 s HIS 148 CO 0.11 0.47 0.20 1.52 -2.00 0.00 0.00 174.74 175.03 1m72 s TYR 149 N -2.11 0.77 0.05 0.38 -0.85 -0.24 -4.94 117.35 110.41 1m72 s TYR 149 Ca 0.34 -1.09 -0.28 0.00 -0.52 0.00 0.00 57.07 55.52 1m72 s TYR 149 Cb -0.08 -0.31 -0.05 0.00 0.38 0.00 0.00 41.96 41.91 1m72 s TYR 149 CO 0.26 -0.68 0.89 0.15 -1.52 0.00 0.00 175.55 174.66 1m72 s LYS 150 N -4.06 4.59 0.33 -3.49 1.02 -1.26 -1.38 119.74 115.49 1m72 s LYS 150 Ca 0.27 1.29 0.10 0.00 0.02 0.00 0.00 55.97 57.65 1m72 s LYS 150 Cb 0.05 -3.40 0.89 0.00 -0.52 0.00 0.00 37.83 34.85 1m72 s LYS 150 CO 0.06 0.15 1.75 -1.35 -0.92 0.00 0.00 175.35 175.04 1m72 h PRO 151 N 6.01 0.58 -0.44 -1.68 0.11 -1.91 0.91 132.00 135.58 1m72 h PRO 151 Ca -0.42 -0.04 0.13 0.00 0.11 0.00 0.00 66.00 65.78 1m72 h PRO 151 Cb 1.21 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1m72 h PRO 151 CO 0.73 0.39 0.52 -0.44 -0.21 0.00 0.00 178.00 178.98 1m72 h ASP 152 N 0.60 0.00 0.03 -2.05 3.45 -1.94 0.18 116.42 116.69 1m72 h ASP 152 Ca 0.61 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 58.07 1m72 h ASP 152 Cb 1.18 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.95 1m72 h ASP 152 CO -0.41 0.00 -0.02 0.78 -1.57 0.00 0.00 179.24 178.02 1m72 h ASN 153 N 0.00 0.00 -0.55 6.45 -0.26 -1.21 -1.07 115.58 118.94 1m72 h ASN 153 Ca 0.21 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.88 1m72 h ASN 153 Cb 1.25 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.48 1m72 h ASN 153 CO -0.00 0.02 0.07 -0.07 -1.06 0.00 0.00 177.43 176.39 1m72 h LEU 154 N 0.00 0.92 0.00 1.61 3.38 -0.82 -3.29 115.31 117.11 1m72 h LEU 154 Ca -0.00 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1m72 h LEU 154 Cb 0.04 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1m72 h LEU 154 CO 0.00 0.94 -0.82 -2.67 0.09 0.00 0.00 178.44 175.98 1m72 n TRP 155 N -4.22 0.00 -0.18 1.13 2.14 -1.13 -4.65 117.44 110.53 1m72 n TRP 155 Ca 0.04 0.00 -0.02 0.00 2.07 0.00 0.00 57.50 59.58 1m72 n TRP 155 Cb 0.29 -0.02 0.04 0.00 -0.81 0.00 0.00 31.31 30.81 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 -0.32 0.00 -2.67 3.20 -1.26 -1.08 116.97 114.84 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 0.40 0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.90 1m72 h TYR 156 CO 0.00 -0.24 0.00 0.66 -1.64 0.00 0.00 178.16 176.94 1m72 n TYR 157 N -5.39 0.00 -0.27 -3.82 4.02 -1.26 -3.53 117.16 106.91 1m72 n TYR 157 Ca 0.06 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 58.02 1m72 n TYR 157 Cb 0.29 0.00 0.20 0.00 -0.02 0.00 0.00 39.34 39.81 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 -0.98 0.61 -1.53 -0.72 3.72 -0.41 -4.13 117.46 114.03 1m72 n PHE 158 Ca 0.16 -0.52 -0.34 0.00 -0.05 0.00 0.00 57.45 56.70 1m72 n PHE 158 Cb 0.08 -0.05 0.08 0.00 -0.94 0.00 0.00 39.48 38.65 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 -1.13 2.59 0.40 4.37 -4.23 -1.23 -4.60 115.64 111.81 1m72 s THR 159 Ca 0.30 0.28 0.16 0.00 -1.18 0.00 0.00 61.69 61.25 1m72 s THR 159 Cb 0.16 -2.83 0.37 0.00 1.34 0.00 0.00 72.50 71.55 1m72 s THR 159 CO 0.19 -0.16 1.83 0.00 -0.54 0.00 0.00 174.62 175.94 1m72 h ALA 160 N -0.21 2.15 -0.32 3.99 0.00 -1.59 0.03 119.26 123.30 1m72 h ALA 160 Ca -0.47 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 1m72 h ALA 160 Cb 1.28 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1m72 h ALA 160 CO 0.51 -0.47 -0.26 0.38 0.00 0.00 0.00 179.25 179.41 1m72 h ASP 161 N 0.45 0.66 0.94 0.00 2.03 -1.90 -2.49 116.42 116.11 1m72 h ASP 161 Ca 0.51 -0.24 -0.19 0.00 -0.73 0.00 0.00 57.03 56.38 1m72 h ASP 161 Cb 1.20 -0.18 -0.03 0.00 -0.83 0.00 0.00 39.33 39.49 1m72 h ASP 161 CO -0.22 0.89 -1.14 0.11 -1.03 0.00 0.00 179.24 177.86 1m72 h LYS 162 N 0.56 0.00 -2.18 4.15 1.57 -1.45 -3.40 116.57 115.82 1m72 h LYS 162 Ca 0.08 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.28 1m72 h LYS 162 Cb 0.74 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.65 1m72 h LYS 162 CO 0.06 0.56 -0.97 0.00 -0.57 0.00 0.00 179.45 178.53 1m72 h PRO 164 N 4.51 0.66 0.00 0.00 0.11 -1.67 -2.26 132.00 133.35 1m72 h PRO 164 Ca 0.14 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1m72 h PRO 164 Cb 0.85 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1m72 h PRO 164 CO 0.51 0.44 0.00 0.25 -0.21 0.00 0.00 178.00 178.99 1m72 n THR 165 N -4.57 0.28 -0.05 -1.15 -2.24 -1.26 -0.50 114.28 104.79 1m72 n THR 165 Ca 0.18 0.07 0.02 0.00 -2.27 0.00 0.00 64.05 62.05 1m72 n THR 165 Cb 0.49 -0.84 0.06 0.00 -2.10 0.00 0.00 70.33 67.94 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 -1.13 2.30 -4.70 3.22 4.77 -0.85 -3.72 117.00 116.88 1m72 n LEU 166 Ca 0.09 -1.90 -0.42 0.00 -0.03 0.00 0.00 56.01 53.75 1m72 n LEU 166 Cb 0.08 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 1m72 n LEU 166 CO 0.10 0.57 1.27 0.00 -1.33 0.00 0.00 177.39 177.99 1m72 s ALA 167 N -0.94 3.73 0.00 -1.18 0.00 0.35 -1.06 121.76 122.66 1m72 s ALA 167 Ca 0.10 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.34 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 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.31 1m72 n GLY 168 N 3.86 0.87 3.66 0.00 0.00 -1.26 -4.56 105.19 107.76 1m72 n GLY 168 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.34 2.43 0.18 1.61 1.02 -0.22 -4.89 119.74 119.52 1m72 s LYS 169 Ca 0.00 -0.91 -0.30 0.00 0.02 0.00 0.00 55.97 54.77 1m72 s LYS 169 Cb 0.00 -2.46 -0.09 0.00 -0.52 0.00 0.00 37.83 34.76 1m72 s LYS 169 CO 0.00 0.52 1.36 -1.25 -0.92 0.00 0.00 175.35 175.06 1m72 s PRO 170 N -2.36 4.34 -0.27 -1.68 0.04 -1.26 -4.86 135.00 128.95 1m72 s PRO 170 Ca 0.25 2.10 0.02 0.00 0.04 0.00 0.00 61.00 63.41 1m72 s PRO 170 Cb -0.11 -3.20 0.06 0.00 0.04 0.00 0.00 34.50 31.29 1m72 s PRO 170 CO 0.17 -0.35 -0.08 0.15 0.04 0.00 0.00 177.00 176.94 1m72 s LYS 171 N 0.31 2.26 -0.15 4.56 1.02 -0.33 -2.30 119.74 125.10 1m72 s LYS 171 Ca 0.60 -1.35 -0.08 0.00 0.02 0.00 0.00 55.97 55.16 1m72 s LYS 171 Cb -0.37 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 1m72 s LYS 171 CO 0.36 -0.59 0.12 -0.51 -0.92 0.00 0.00 175.35 173.81 1m72 s LEU 172 N 1.13 4.24 -0.07 3.17 1.43 0.12 -1.63 118.68 127.06 1m72 s LEU 172 Ca -0.08 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 1m72 s LEU 172 Cb -0.20 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 43.99 1m72 s LEU 172 CO -0.04 0.31 -0.07 -0.36 0.23 0.00 0.00 176.35 176.42 1m72 s PHE 173 N -0.44 1.11 -0.12 0.29 0.40 0.00 0.10 117.98 119.32 1m72 s PHE 173 Ca 0.12 -0.42 0.03 0.00 -0.60 0.00 0.00 56.93 56.05 1m72 s PHE 173 Cb -0.12 -0.93 0.01 0.00 0.51 0.00 0.00 43.02 42.49 1m72 s PHE 173 CO 0.02 -0.31 -0.20 -0.06 0.70 0.00 0.00 175.22 175.37 1m72 s PHE 174 N 1.15 2.42 -0.20 0.36 0.40 0.04 -0.25 117.98 121.91 1m72 s PHE 174 Ca -0.07 -1.15 0.01 0.00 -0.60 0.00 0.00 56.93 55.12 1m72 s PHE 174 Cb -0.14 -1.67 0.04 0.00 0.51 0.00 0.00 43.02 41.76 1m72 s PHE 174 CO -0.01 -0.53 -0.11 0.42 0.70 0.00 0.00 175.22 175.69 1m72 s ILE 175 N 0.76 1.65 -0.41 0.64 1.01 0.78 -0.65 121.20 124.98 1m72 s ILE 175 Ca -0.09 -0.99 -0.12 0.00 0.00 0.00 0.00 60.65 59.45 1m72 s ILE 175 Cb -0.16 -1.71 0.05 0.00 0.01 0.00 0.00 42.46 40.66 1m72 s ILE 175 CO 0.00 0.19 0.27 -1.58 0.00 0.00 0.00 174.94 173.83 1m72 s GLN 176 N 1.40 2.79 -0.27 2.79 2.00 0.63 -1.15 119.66 127.85 1m72 s GLN 176 Ca -0.01 -1.25 -0.34 0.00 -2.00 0.00 0.00 55.36 51.76 1m72 s GLN 176 Cb -0.16 -3.85 0.17 0.00 0.80 0.00 0.00 33.01 29.97 1m72 s GLN 176 CO -0.08 -0.85 1.33 0.00 -0.50 0.00 0.00 175.29 175.19 1m72 s ALA 177 N 1.54 -2.14 0.52 1.58 0.00 -1.26 -1.04 121.76 120.96 1m72 s ALA 177 Ca 0.03 1.84 -0.18 0.00 0.00 0.00 0.00 51.96 53.65 1m72 s ALA 177 Cb -0.21 -0.76 -0.07 0.00 0.00 0.00 0.00 23.12 22.08 1m72 s ALA 177 CO 0.05 -0.44 1.02 0.00 0.00 0.00 0.00 175.76 176.40 1m72 n GLN 179 N -1.39 1.89 -1.60 0.00 6.02 -0.24 -2.50 117.38 119.55 1m72 n GLN 179 Ca 0.08 -2.91 0.00 0.00 -0.01 0.00 0.00 57.00 54.17 1m72 n GLN 179 Cb 0.53 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 30.11 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 -1.07 0.07 0.16 1.08 0.00 -1.12 0.02 105.19 104.34 1m72 n GLY 180 Ca 0.22 -1.63 0.09 0.00 0.00 0.00 0.00 46.02 44.69 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 2.72 2.16 -4.85 1.61 5.68 -0.82 -3.01 116.55 120.04 1m72 n ASP 181 Ca 0.00 -3.12 -0.32 0.00 -0.50 0.00 0.00 54.79 50.85 1m72 n ASP 181 Cb 0.00 -0.43 -0.02 0.00 -1.14 0.00 0.00 41.12 39.53 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 -2.76 3.84 0.11 0.11 0.52 0.23 -4.70 118.95 116.30 1m72 s ARG 182 Ca 0.31 0.84 0.10 0.00 -0.52 0.00 0.00 55.73 56.46 1m72 s ARG 182 Cb 0.28 -2.15 -0.04 0.00 0.52 0.00 0.00 34.95 33.55 1m72 s ARG 182 CO 0.02 -0.31 -0.23 -0.51 0.02 0.00 0.00 175.30 174.28 1m72 s LEU 183 N -4.32 2.48 -0.36 2.53 1.43 -1.26 -1.52 118.68 117.66 1m72 s LEU 183 Ca 0.57 -0.64 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1m72 s LEU 183 Cb -0.10 -1.38 0.09 0.00 0.03 0.00 0.00 46.19 44.83 1m72 s LEU 183 CO 0.37 0.19 0.12 -0.62 0.23 0.00 0.00 176.35 176.63 1m72 s ASP 184 N -2.00 5.06 0.00 2.29 -1.08 -1.26 -4.97 116.67 114.71 1m72 s ASP 184 Ca 0.16 -1.82 0.17 0.00 -0.52 0.00 0.00 52.55 50.54 1m72 s ASP 184 Cb -0.10 -1.76 0.87 0.00 -1.46 0.00 0.00 42.92 40.46 1m72 s ASP 184 CO 0.07 -0.43 1.48 0.61 0.52 0.00 0.00 175.17 177.43 1m72 n GLY 185 N 4.55 -0.80 1.24 2.66 0.00 -1.26 -0.13 105.19 111.44 1m72 n GLY 185 Ca -0.05 -0.08 0.17 0.00 0.00 0.00 0.00 46.02 46.06 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 0.13 -2.06 3.10 -0.02 0.00 -1.26 -4.73 105.19 100.36 1m72 n GLY 186 Ca 0.09 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.40 0.06 -0.06 -0.61 2.07 -1.26 -5.08 121.20 113.93 1m72 s ILE 187 Ca 0.00 -0.46 -0.18 0.00 -1.41 0.00 0.00 60.65 58.59 1m72 s ILE 187 Cb 0.00 -0.40 -0.05 0.00 0.13 0.00 0.00 42.46 42.15 1m72 s ILE 187 CO 0.00 -0.25 0.51 -0.89 -1.91 0.00 0.00 174.94 172.40 1m72 s THR 188 N -0.92 5.06 -0.13 4.00 2.01 -1.26 -5.07 115.64 119.32 1m72 s THR 188 Ca -0.10 1.05 -0.04 0.00 0.31 0.00 0.00 61.69 62.91 1m72 s THR 188 Cb -0.05 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 1m72 s THR 188 CO 0.01 0.40 0.01 -0.76 -0.69 0.00 0.00 174.62 173.60 1m72 s LEU 189 N 0.04 3.58 0.24 4.42 1.43 -1.26 -5.12 118.68 122.02 1m72 s LEU 189 Ca 0.28 0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.49 1m72 s LEU 189 Cb -0.17 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 1m72 s LEU 189 CO 0.13 0.27 -0.04 -0.44 0.23 0.00 0.00 176.35 176.50 1m72 s SER 190 N -0.21 2.26 0.00 2.29 0.01 -1.26 -5.36 113.70 111.43 1m72 s SER 190 Ca 0.06 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.14 1m72 s SER 190 Cb -0.12 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.03 1m72 s SER 190 CO 0.02 -0.41 0.00 -1.14 0.41 0.00 0.00 173.24 172.12 1m72 n ARG 191 N -0.47 0.00 -0.03 12.44 0.63 -1.26 -5.37 116.66 122.61 1m72 n ARG 191 Ca -0.06 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.89 1m72 n ARG 191 Cb 0.63 -2.96 0.03 0.00 0.45 0.00 0.00 32.46 30.62 1m72 n ARG 191 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1m72 n THR 200 N -1.30 -0.03 -3.62 5.15 -2.24 -1.26 -5.38 114.28 105.60 1m72 n THR 200 Ca 0.00 0.16 -0.08 0.00 -2.27 0.00 0.00 64.05 61.86 1m72 n THR 200 Cb 0.00 -0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 67.92 1m72 n THR 200 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1m72 s SER 201 N -4.98 -0.30 0.06 3.42 1.04 -1.26 -5.07 113.70 106.60 1m72 s SER 201 Ca -0.01 0.48 -0.08 0.00 0.48 0.00 0.00 55.95 56.82 1m72 s SER 201 Cb 0.02 0.45 -0.00 0.00 0.10 0.00 0.00 66.02 66.59 1m72 s SER 201 CO 0.06 -0.17 0.17 -0.72 0.98 0.00 0.00 173.24 173.56 1m72 s TYR 202 N -0.37 0.13 -0.05 5.02 -0.85 -1.26 -5.11 117.35 114.86 1m72 s TYR 202 Ca 0.03 -0.44 0.00 0.00 -0.52 0.00 0.00 57.07 56.14 1m72 s TYR 202 Cb -0.03 -0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.21 1m72 s TYR 202 CO -0.06 -0.46 -0.03 1.03 -1.52 0.00 0.00 175.55 174.52 1m72 s ARG 203 N -3.06 2.82 0.19 -3.49 0.52 -1.26 -5.10 118.95 109.57 1m72 s ARG 203 Ca -0.01 -0.53 0.05 0.00 -0.52 0.00 0.00 55.73 54.72 1m72 s ARG 203 Cb 0.01 -2.67 -0.05 0.00 0.52 0.00 0.00 34.95 32.77 1m72 s ARG 203 CO -0.07 0.66 -0.09 0.96 0.02 0.00 0.00 175.30 176.79 1m72 s ILE 204 N -0.92 1.34 0.40 1.52 -4.36 -1.26 -5.14 121.20 112.79 1m72 s ILE 204 Ca 0.15 -2.10 -0.24 0.00 -0.26 0.00 0.00 60.65 58.19 1m72 s ILE 204 Cb -0.11 -2.05 -0.09 0.00 1.25 0.00 0.00 42.46 41.46 1m72 s ILE 204 CO 0.04 -0.58 1.08 -2.84 0.24 0.00 0.00 174.94 172.88 1m72 s PRO 205 N -3.74 4.14 0.10 0.37 0.02 -1.26 -4.92 135.00 129.71 1m72 s PRO 205 Ca 0.22 1.60 0.19 0.00 0.02 0.00 0.00 61.00 63.03 1m72 s PRO 205 Cb 0.02 -2.58 0.80 0.00 0.02 0.00 0.00 34.50 32.76 1m72 s PRO 205 CO 0.05 -0.19 1.60 1.33 -0.33 0.00 0.00 177.00 179.47 1m72 n VAL 206 N -0.02 0.84 0.75 3.83 0.24 -1.26 -2.34 118.33 120.37 1m72 n VAL 206 Ca 0.05 0.19 0.12 0.00 -2.04 0.00 0.00 64.34 62.66 1m72 n VAL 206 Cb 0.49 -0.99 0.20 0.00 -1.47 0.00 0.00 33.84 32.06 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 -1.79 0.23 -1.81 6.34 8.25 -1.26 -1.75 115.22 123.43 1m72 n HIS 207 Ca 0.03 -0.12 -0.31 0.00 -0.26 0.00 0.00 57.72 57.07 1m72 n HIS 207 Cb 0.22 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.35 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 -1.77 2.87 -0.29 -1.41 0.00 -0.99 -4.36 121.76 115.82 1m72 s ALA 208 Ca 0.34 0.07 -0.00 0.00 0.00 0.00 0.00 51.96 52.36 1m72 s ALA 208 Cb 0.21 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1m72 s ALA 208 CO 0.31 -0.89 0.02 -0.25 0.00 0.00 0.00 175.76 174.94 1m72 n ASP 209 N -2.72 -1.91 -4.59 0.00 8.00 -0.48 -4.91 116.55 109.94 1m72 n ASP 209 Ca 0.07 -0.01 -0.32 0.00 0.71 0.00 0.00 54.79 55.23 1m72 n ASP 209 Cb 0.54 -1.23 -0.11 0.00 -0.02 0.00 0.00 41.12 40.30 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 -2.26 2.89 -0.11 1.24 0.08 -1.26 -1.19 117.98 117.37 1m72 s PHE 210 Ca 0.01 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.03 1m72 s PHE 210 Cb -0.00 -1.63 0.02 0.00 -0.57 0.00 0.00 43.02 40.84 1m72 s PHE 210 CO 0.01 0.36 -0.09 -1.17 -0.10 0.00 0.00 175.22 174.23 1m72 s LEU 211 N -1.29 1.32 -0.24 -0.37 2.96 -0.65 0.15 118.68 120.56 1m72 s LEU 211 Ca 0.16 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 1m72 s LEU 211 Cb -0.11 -0.88 0.07 0.00 0.50 0.00 0.00 46.19 45.77 1m72 s LEU 211 CO 0.06 -0.08 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.36 1m72 s ILE 212 N 1.50 1.31 -0.33 6.68 1.01 0.21 -0.82 121.20 130.76 1m72 s ILE 212 Ca 0.01 -1.18 -0.09 0.00 0.00 0.00 0.00 60.65 59.39 1m72 s ILE 212 Cb -0.13 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.66 1m72 s ILE 212 CO -0.06 -0.21 0.16 0.00 0.00 0.00 0.00 174.94 174.82 1m72 s ALA 213 N 1.48 3.23 -0.13 9.38 0.00 0.66 0.13 121.76 136.50 1m72 s ALA 213 Ca -0.02 -1.53 -0.07 0.00 0.00 0.00 0.00 51.96 50.33 1m72 s ALA 213 Cb -0.18 -2.41 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 1m72 s ALA 213 CO -0.09 -1.10 0.13 -0.06 0.00 0.00 0.00 175.76 174.65 1m72 s PHE 214 N 1.56 3.56 0.62 0.00 0.40 0.08 -0.16 117.98 124.05 1m72 s PHE 214 Ca 0.03 0.49 0.34 0.00 -0.60 0.00 0.00 56.93 57.18 1m72 s PHE 214 Cb -0.18 -1.97 1.92 0.00 0.51 0.00 0.00 43.02 43.30 1m72 s PHE 214 CO 0.06 0.67 2.20 0.66 0.70 0.00 0.00 175.22 179.50 1m72 h SER 215 N 5.23 0.00 -5.34 1.36 4.64 -1.42 0.56 113.55 118.58 1m72 h SER 215 Ca -0.53 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.67 1m72 h SER 215 Cb 1.22 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.19 1m72 h SER 215 CO 0.60 0.00 -0.31 0.28 -0.87 0.00 0.00 176.83 176.53 1m72 s THR 216 N -4.44 0.02 0.47 2.95 -1.32 -1.26 -3.40 115.64 108.66 1m72 s THR 216 Ca -0.05 -1.56 -0.21 0.00 -1.21 0.00 0.00 61.69 58.67 1m72 s THR 216 Cb 0.14 -2.17 -0.08 0.00 -1.51 0.00 0.00 72.50 68.88 1m72 s THR 216 CO 0.48 -0.09 1.05 -0.69 -2.21 0.00 0.00 174.62 173.16 1m72 s VAL 217 N -4.04 3.71 0.30 5.08 1.01 -1.21 -4.06 120.40 121.20 1m72 s VAL 217 Ca 0.25 1.11 -0.30 0.00 0.00 0.00 0.00 61.98 63.05 1m72 s VAL 217 Cb 0.03 -3.48 -0.12 0.00 0.00 0.00 0.00 36.38 32.81 1m72 s VAL 217 CO 0.07 -0.19 1.46 -2.65 0.00 0.00 0.00 175.10 173.79 1m72 n PRO 218 N -0.82 2.39 0.00 2.72 -0.02 -1.26 -1.84 135.00 136.16 1m72 n PRO 218 Ca 0.09 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1m72 n PRO 218 Cb 0.52 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 1.54 1.97 3.88 -1.23 0.00 0.10 -4.98 105.19 106.48 1m72 n GLY 219 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 3.28 0.81 1.61 1.51 -0.77 -0.60 117.35 120.85 1m72 s TYR 220 Ca 0.00 -0.03 -0.11 0.00 -1.01 0.00 0.00 57.07 55.92 1m72 s TYR 220 Cb 0.00 -1.51 0.08 0.00 -0.11 0.00 0.00 41.96 40.42 1m72 s TYR 220 CO 0.00 0.49 1.09 -0.06 -1.11 0.00 0.00 175.55 175.97 1m72 s PHE 221 N -1.96 2.47 -0.05 2.71 0.40 -0.57 -1.08 117.98 119.90 1m72 s PHE 221 Ca 0.33 1.48 0.03 0.00 -0.60 0.00 0.00 56.93 58.17 1m72 s PHE 221 Cb -0.09 -3.09 0.01 0.00 0.51 0.00 0.00 43.02 40.36 1m72 s PHE 221 CO 0.26 -2.00 -0.11 0.45 0.70 0.00 0.00 175.22 174.53 1m72 s SER 222 N -3.37 1.57 -0.04 1.36 0.15 -1.26 -4.82 113.70 107.28 1m72 s SER 222 Ca 0.62 -0.25 -0.08 0.00 0.70 0.00 0.00 55.95 56.93 1m72 s SER 222 Cb -0.18 -0.60 -0.05 0.00 -1.71 0.00 0.00 66.02 63.49 1m72 s SER 222 CO 0.56 0.05 0.25 0.26 1.20 0.00 0.00 173.24 175.56 1m72 s TRP 223 N 0.46 3.62 -0.04 3.44 0.52 -1.26 -4.79 118.94 120.88 1m72 s TRP 223 Ca -0.09 0.65 0.02 0.00 0.02 0.00 0.00 56.10 56.69 1m72 s TRP 223 Cb -0.13 -2.03 0.01 0.00 -1.15 0.00 0.00 33.47 30.17 1m72 s TRP 223 CO 0.02 0.67 -0.08 0.50 0.02 0.00 0.00 176.95 178.08 1m72 s ARG 224 N -1.34 1.13 -0.15 4.98 3.52 -1.26 -1.91 118.95 123.91 1m72 s ARG 224 Ca 0.22 -0.26 -0.11 0.00 -0.13 0.00 0.00 55.73 55.45 1m72 s ARG 224 Cb -0.13 -1.02 -0.05 0.00 -1.56 0.00 0.00 34.95 32.19 1m72 s ARG 224 CO 0.11 0.01 0.20 1.21 -0.81 0.00 0.00 175.30 176.02 1m72 s ASN 225 N 0.61 6.36 0.48 -2.12 3.84 -0.03 -4.92 114.94 119.16 1m72 s ASN 225 Ca -0.10 0.42 0.32 0.00 0.21 0.00 0.00 52.86 53.72 1m72 s ASN 225 Cb -0.13 -2.12 1.55 0.00 -0.55 0.00 0.00 41.25 40.00 1m72 s ASN 225 CO 0.01 0.23 1.98 0.71 -2.79 0.00 0.00 177.10 177.24 1m72 h THR 226 N 4.43 0.00 0.00 -5.21 1.35 -1.85 0.41 112.91 112.03 1m72 h THR 226 Ca -0.45 -0.21 -0.18 0.00 -0.55 0.00 0.00 66.41 65.01 1m72 h THR 226 Cb 1.18 1.06 -0.03 0.00 -1.73 0.00 0.00 68.15 68.63 1m72 h THR 226 CO 0.70 0.00 -1.79 1.07 -0.25 0.00 0.00 175.52 175.26 1m72 n THR 227 N -2.75 0.68 0.80 6.82 5.66 -1.26 -3.46 114.28 120.76 1m72 n THR 227 Ca -0.00 -0.47 0.09 0.00 -3.05 0.00 0.00 64.05 60.61 1m72 n THR 227 Cb 0.17 -0.52 0.03 0.00 -1.55 0.00 0.00 70.33 68.46 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 -2.36 1.58 0.00 1.09 1.74 -1.18 -4.95 116.66 112.58 1m72 n ARG 228 Ca -0.17 -1.14 0.00 0.00 -0.77 0.00 0.00 57.85 55.77 1m72 n ARG 228 Cb 0.79 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 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 1.18 -2.42 3.79 -0.13 0.00 0.13 -4.76 105.19 102.98 1m72 n GLY 229 Ca 0.09 -1.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.90 5.73 0.10 1.61 1.04 -1.26 -0.85 113.70 117.17 1m72 s SER 230 Ca 0.00 1.94 -0.25 0.00 0.48 0.00 0.00 55.95 58.12 1m72 s SER 230 Cb 0.00 -2.55 -0.12 0.00 0.10 0.00 0.00 66.02 63.45 1m72 s SER 230 CO 0.00 -1.20 1.69 -0.50 0.98 0.00 0.00 173.24 174.21 1m72 h TRP 231 N 0.68 -0.30 -0.04 5.02 4.06 -1.76 0.11 115.95 123.73 1m72 h TRP 231 Ca -0.48 0.00 0.04 0.00 2.06 0.00 0.00 58.89 60.51 1m72 h TRP 231 Cb 1.23 0.12 -0.05 0.00 -1.00 0.00 0.00 29.16 29.46 1m72 h TRP 231 CO 0.56 -0.18 -0.25 0.35 -3.56 0.00 0.00 178.44 175.36 1m72 h PHE 232 N -0.24 -0.67 -0.21 0.49 3.57 -1.90 -0.82 116.94 117.16 1m72 h PHE 232 Ca 0.01 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 1m72 h PHE 232 Cb 0.25 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1m72 h PHE 232 CO -0.13 -0.34 -0.16 0.52 -2.23 0.00 0.00 178.31 175.97 1m72 h MET 233 N -0.37 0.36 -0.28 1.11 2.86 -1.91 0.30 114.93 117.01 1m72 h MET 233 Ca 0.07 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1m72 h MET 233 Cb 0.47 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1m72 h MET 233 CO -0.25 0.52 0.09 1.96 1.06 0.00 0.00 176.91 180.29 1m72 h GLN 234 N 0.34 0.43 -0.31 1.72 4.20 -0.25 -1.47 115.11 119.76 1m72 h GLN 234 Ca 0.06 -0.09 -0.17 0.00 0.06 0.00 0.00 58.65 58.51 1m72 h GLN 234 Cb 0.49 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 1m72 h GLN 234 CO 0.03 0.50 -0.45 0.00 -0.67 0.00 0.00 178.83 178.23 1m72 h ALA 235 N 0.92 0.47 -0.03 3.87 0.00 -0.88 -2.21 119.26 121.40 1m72 h ALA 235 Ca 0.09 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1m72 h ALA 235 Cb 0.24 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1m72 h ALA 235 CO -0.00 0.62 0.02 1.25 0.00 0.00 0.00 179.25 181.14 1m72 h LEU 236 N 0.64 0.04 -0.83 0.00 5.85 -0.32 -1.65 115.31 119.04 1m72 h LEU 236 Ca 0.03 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1m72 h LEU 236 Cb 1.05 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 1m72 h LEU 236 CO 0.10 0.05 0.38 0.00 -0.34 0.00 0.00 178.44 178.63 1m72 h GLU 238 N 1.19 0.71 -0.27 0.00 4.81 -1.26 0.23 114.58 119.99 1m72 h GLU 238 Ca 0.28 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 59.21 1m72 h GLU 238 Cb 0.15 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1m72 h GLU 238 CO -0.03 0.71 -0.38 1.49 -0.73 0.00 0.00 179.01 180.07 1m72 h GLU 239 N 0.59 0.61 -0.53 1.92 4.57 -1.06 -1.90 114.58 118.78 1m72 h GLU 239 Ca 0.14 -0.30 -0.10 0.00 -1.18 0.00 0.00 59.36 57.92 1m72 h GLU 239 Cb 0.31 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 1m72 h GLU 239 CO 0.00 0.89 -0.07 -0.07 -1.18 0.00 0.00 179.01 178.58 1m72 h LEU 240 N 0.51 0.94 -0.47 1.64 3.38 -1.11 -0.53 115.31 119.68 1m72 h LEU 240 Ca 0.05 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1m72 h LEU 240 Cb 0.88 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1m72 h LEU 240 CO 0.08 1.04 0.10 0.03 0.09 0.00 0.00 178.44 179.77 1m72 h ARG 241 N 0.86 0.77 -0.10 1.13 3.08 -0.68 -1.18 114.38 118.27 1m72 h ARG 241 Ca 0.14 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 1m72 h ARG 241 Cb 0.61 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1m72 h ARG 241 CO 0.04 0.77 -0.19 -0.92 -1.07 0.00 0.00 179.97 178.60 1m72 h TYR 242 N 0.65 0.40 0.00 3.04 3.20 -1.21 -3.41 116.97 119.64 1m72 h TYR 242 Ca 0.15 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1m72 h TYR 242 Cb 0.36 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1m72 h TYR 242 CO 0.02 0.80 -0.26 0.00 -1.64 0.00 0.00 178.16 177.09 1m72 n ALA 243 N -2.45 1.71 0.07 1.82 0.00 -0.22 -4.89 120.51 116.55 1m72 n ALA 243 Ca -0.07 -1.01 0.21 0.00 0.00 0.00 0.00 53.44 52.57 1m72 n ALA 243 Cb 0.41 -0.30 0.72 0.00 0.00 0.00 0.00 19.45 20.28 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 1.10 0.00 0.00 -1.20 -0.82 103.07 102.15 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 -1.47 -0.84 0.00 0.00 0.00 176.54 174.23 1m72 h THR 245 N 0.00 0.74 0.00 4.70 2.02 -1.84 -3.37 112.91 115.16 1m72 h THR 245 Ca 0.22 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 65.00 1m72 h THR 245 Cb 1.23 2.27 0.00 0.00 -1.74 0.00 0.00 68.15 69.91 1m72 h THR 245 CO -0.00 0.42 -0.96 -0.62 0.37 0.00 0.00 175.52 174.73 1m72 n GLU 246 N -3.00 1.90 -3.99 6.66 1.02 -0.60 -1.42 120.64 121.20 1m72 n GLU 246 Ca -0.12 -0.04 -0.35 0.00 -0.02 0.00 0.00 57.16 56.63 1m72 n GLU 246 Cb 0.93 -1.05 -0.06 0.00 -0.02 0.00 0.00 31.44 31.24 1m72 n GLU 246 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1m72 s ARG 247 N -2.20 3.30 0.50 3.49 3.52 -0.41 -4.99 118.95 122.16 1m72 s ARG 247 Ca -0.01 -0.30 -0.21 0.00 -0.13 0.00 0.00 55.73 55.08 1m72 s ARG 247 Cb 0.05 -3.04 -0.07 0.00 -1.56 0.00 0.00 34.95 30.33 1m72 s ARG 247 CO 0.31 0.71 1.14 0.16 -0.81 0.00 0.00 175.30 176.81 1m72 s ASP 248 N -1.45 5.95 0.20 -2.12 1.47 -1.26 -4.60 116.67 114.86 1m72 s ASP 248 Ca 0.20 2.23 -0.12 0.00 1.18 0.00 0.00 52.55 56.04 1m72 s ASP 248 Cb -0.12 -2.59 0.23 0.00 -0.34 0.00 0.00 42.92 40.09 1m72 s ASP 248 CO 0.11 -1.06 1.69 -0.29 0.68 0.00 0.00 175.17 176.29 1m72 h ILE 249 N 1.53 0.61 -0.65 2.11 6.09 -1.17 0.70 117.51 126.73 1m72 h ILE 249 Ca -0.50 -0.05 -0.02 0.00 -1.37 0.00 0.00 64.86 62.92 1m72 h ILE 249 Cb 1.25 0.44 -0.03 0.00 0.47 0.00 0.00 36.82 38.95 1m72 h ILE 249 CO 0.58 0.03 0.32 -0.07 -3.07 0.00 0.00 178.15 175.95 1m72 h LEU 250 N 0.16 0.84 -0.85 2.19 3.38 -1.92 0.93 115.31 120.04 1m72 h LEU 250 Ca 0.27 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1m72 h LEU 250 Cb 0.41 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1m72 h LEU 250 CO -0.42 0.73 -0.01 0.74 0.09 0.00 0.00 178.44 179.58 1m72 h THR 251 N 0.89 1.25 -0.22 0.22 2.02 -1.73 -0.17 112.91 115.18 1m72 h THR 251 Ca 0.22 -1.05 -0.03 0.00 0.77 0.00 0.00 66.41 66.33 1m72 h THR 251 Cb 0.10 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1m72 h THR 251 CO -0.03 0.37 0.04 0.25 0.37 0.00 0.00 175.52 176.52 1m72 h LEU 252 N 0.79 0.35 -1.34 2.58 6.46 -0.49 -2.28 115.31 121.39 1m72 h LEU 252 Ca 0.15 -0.26 -0.03 0.00 -0.12 0.00 0.00 57.88 57.62 1m72 h LEU 252 Cb 0.48 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.32 1m72 h LEU 252 CO 0.02 0.52 -0.16 -0.07 -0.62 0.00 0.00 178.44 178.13 1m72 h LEU 253 N 0.16 0.00 -0.33 2.25 3.38 -0.55 -0.79 115.31 119.44 1m72 h LEU 253 Ca 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1m72 h LEU 253 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1m72 h LEU 253 CO 0.00 0.16 0.02 0.74 0.09 0.00 0.00 178.44 179.45 1m72 h THR 254 N 0.00 1.25 0.00 0.22 2.02 -0.58 -1.05 112.91 114.76 1m72 h THR 254 Ca -0.00 -0.90 -0.07 0.00 0.77 0.00 0.00 66.41 66.21 1m72 h THR 254 Cb 0.62 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1m72 h THR 254 CO 0.02 0.30 -0.32 -0.26 0.37 0.00 0.00 175.52 175.63 1m72 h PHE 255 N 0.38 0.00 -0.60 3.16 0.05 -0.91 -1.76 116.94 117.27 1m72 h PHE 255 Ca 0.10 0.00 -0.08 0.00 3.82 0.00 0.00 57.97 61.80 1m72 h PHE 255 Cb 0.41 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.33 1m72 h PHE 255 CO 0.03 0.32 0.04 0.28 -0.18 0.00 0.00 178.31 178.80 1m72 h VAL 256 N 0.00 1.26 -0.53 -0.55 2.07 -0.80 -1.26 116.25 116.44 1m72 h VAL 256 Ca -0.00 -1.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.36 1m72 h VAL 256 Cb 0.90 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1m72 h VAL 256 CO 0.04 0.39 0.00 0.00 0.02 0.00 0.00 177.57 178.02 1m72 h GLN 258 N 0.83 0.24 0.28 0.00 4.15 -1.13 0.20 115.11 119.68 1m72 h GLN 258 Ca 0.16 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.52 1m72 h GLN 258 Cb 0.49 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 1m72 h GLN 258 CO 0.02 0.37 -0.20 -0.22 -1.93 0.00 0.00 178.83 176.87 1m72 h LYS 259 N 0.07 -0.46 -1.00 1.69 1.63 -0.99 0.13 116.57 117.63 1m72 h LYS 259 Ca 0.05 0.03 0.06 0.00 -0.85 0.00 0.00 60.65 59.95 1m72 h LYS 259 Cb 0.23 0.11 -0.07 0.00 -0.60 0.00 0.00 32.23 31.89 1m72 h LYS 259 CO -0.00 -0.31 0.65 0.28 -3.45 0.00 0.00 179.45 176.62 1m72 h VAL 260 N -0.48 1.09 -0.11 2.00 2.07 -1.15 0.88 116.25 120.56 1m72 h VAL 260 Ca -0.02 -0.40 -0.15 0.00 0.82 0.00 0.00 66.70 66.94 1m72 h VAL 260 Cb 0.42 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1m72 h VAL 260 CO -0.00 0.21 -0.60 0.00 0.02 0.00 0.00 177.57 177.20 1m72 h ALA 261 N 1.45 0.77 0.00 1.67 0.00 -0.12 -3.33 119.26 119.70 1m72 h ALA 261 Ca 0.43 -0.54 -0.42 0.00 0.00 0.00 0.00 54.91 54.38 1m72 h ALA 261 Cb 0.16 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1m72 h ALA 261 CO -0.17 0.72 -2.50 1.28 0.00 0.00 0.00 179.25 178.58 1m72 n LEU 262 N -3.90 2.55 -0.36 0.00 4.77 0.40 -4.69 117.00 115.77 1m72 n LEU 262 Ca -0.03 0.07 0.10 0.00 -0.03 0.00 0.00 56.01 56.12 1m72 n LEU 262 Cb 0.62 -0.88 0.43 0.00 -2.33 0.00 0.00 43.42 41.27 1m72 n LEU 262 CO 0.46 0.79 0.80 0.47 -1.33 0.00 0.00 177.39 178.57 1m72 n ASP 263 N -3.68 1.10 -4.15 -1.43 8.00 0.28 -4.85 116.55 111.82 1m72 n ASP 263 Ca -0.49 -1.61 -0.21 0.00 0.71 0.00 0.00 54.79 53.18 1m72 n ASP 263 Cb 0.95 -0.07 -0.14 0.00 -0.02 0.00 0.00 41.12 41.84 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 -1.86 1.30 -0.23 1.24 0.08 -1.25 -5.04 117.98 112.22 1m72 s PHE 264 Ca 0.31 -0.32 -0.17 0.00 0.12 0.00 0.00 56.93 56.87 1m72 s PHE 264 Cb 0.16 -0.79 0.07 0.00 -0.57 0.00 0.00 43.02 41.88 1m72 s PHE 264 CO 0.25 0.03 0.59 -2.00 -0.10 0.00 0.00 175.22 173.99 1m72 s GLU 265 N -0.90 0.64 0.57 0.44 2.12 -1.26 -4.77 118.70 115.54 1m72 s GLU 265 Ca 0.03 0.97 -0.19 0.00 0.36 0.00 0.00 54.97 56.14 1m72 s GLU 265 Cb -0.07 0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.47 1m72 s GLU 265 CO 0.01 -0.12 1.14 -1.54 -0.54 0.00 0.00 175.26 174.21 1m72 s SER 266 N 1.01 5.51 -0.21 -1.70 1.04 0.18 -4.86 113.70 114.67 1m72 s SER 266 Ca -0.06 2.19 -0.02 0.00 0.48 0.00 0.00 55.95 58.54 1m72 s SER 266 Cb -0.05 -2.58 0.06 0.00 0.10 0.00 0.00 66.02 63.55 1m72 s SER 266 CO -0.09 -1.36 0.03 0.21 0.98 0.00 0.00 173.24 173.01 1m72 s ASN 267 N -1.86 3.08 -0.44 7.02 3.84 -1.26 -1.04 114.94 124.28 1m72 s ASN 267 Ca 0.73 -0.91 0.06 0.00 0.21 0.00 0.00 52.86 52.95 1m72 s ASN 267 Cb -0.25 -0.67 0.22 0.00 -0.55 0.00 0.00 41.25 40.01 1m72 s ASN 267 CO 0.30 -0.31 0.60 0.00 -2.79 0.00 0.00 177.10 174.91 1m72 n ALA 268 N 5.00 0.90 0.28 1.71 0.00 -1.26 -4.97 120.51 122.17 1m72 n ALA 268 Ca -0.09 -2.47 0.18 0.00 0.00 0.00 0.00 53.44 51.06 1m72 n ALA 268 Cb 0.46 -1.03 0.96 0.00 0.00 0.00 0.00 19.45 19.83 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 4.52 0.00 0.00 0.00 0.11 -1.95 -1.66 132.00 133.02 1m72 h PRO 269 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1m72 h PRO 269 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1m72 h PRO 269 CO 0.34 0.00 0.00 0.38 -0.21 0.00 0.00 178.00 178.51 1m72 h ASP 270 N 0.00 0.00 -2.87 -2.05 2.03 -2.01 -3.40 116.42 108.12 1m72 h ASP 270 Ca 0.03 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.76 1m72 h ASP 270 Cb 0.25 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.35 1m72 h ASP 270 CO -0.00 0.00 -0.80 -0.55 -1.03 0.00 0.00 179.24 176.86 1m72 s SER 271 N -5.28 3.39 0.27 4.15 0.15 -0.62 -5.01 113.70 110.74 1m72 s SER 271 Ca 0.06 -1.93 -0.00 0.00 0.70 0.00 0.00 55.95 54.78 1m72 s SER 271 Cb 0.09 -0.55 0.63 0.00 -1.71 0.00 0.00 66.02 64.47 1m72 s SER 271 CO 0.56 -0.35 1.67 0.00 1.20 0.00 0.00 173.24 176.32 1m72 h ALA 272 N 7.51 1.20 0.00 5.45 0.00 -1.78 0.32 119.26 131.96 1m72 h ALA 272 Ca -0.05 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1m72 h ALA 272 Cb 0.98 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1m72 h ALA 272 CO 0.38 -0.38 -0.13 0.00 0.00 0.00 0.00 179.25 179.11 1m72 h MET 273 N 0.28 0.00 -0.01 0.00 -0.00 -1.95 -1.73 114.93 111.52 1m72 h MET 273 Ca 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.21 1m72 h MET 273 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.55 1m72 h MET 273 CO -0.57 0.13 -0.13 -1.33 -0.00 0.00 0.00 176.91 175.00 1m72 n MET 274 N -4.24 1.27 -3.22 -0.10 2.00 0.05 -4.93 117.12 107.96 1m72 n MET 274 Ca -0.03 -0.77 -0.39 0.00 0.00 0.00 0.00 57.70 56.52 1m72 n MET 274 Cb 0.20 -1.48 -0.06 0.00 0.00 0.00 0.00 33.22 31.88 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 -2.25 3.81 -1.40 2.03 2.46 -0.65 -4.13 115.29 115.15 1m72 s HIS 275 Ca 0.31 1.32 -0.08 0.00 0.47 0.00 0.00 55.06 57.07 1m72 s HIS 275 Cb 0.20 -2.55 0.01 0.00 -0.13 0.00 0.00 32.58 30.11 1m72 s HIS 275 CO 0.43 0.55 1.09 1.04 -2.47 0.00 0.00 174.74 175.38 1m72 n GLN 276 N 1.82 -7.45 -3.23 2.88 6.02 -0.20 -4.96 117.38 112.27 1m72 n GLN 276 Ca -0.09 0.84 -0.26 0.00 -0.01 0.00 0.00 57.00 57.48 1m72 n GLN 276 Cb 0.50 -5.86 -0.02 0.00 1.02 0.00 0.00 30.24 25.88 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 -6.22 3.54 0.44 -1.09 -1.52 -1.26 -4.68 119.66 108.86 1m72 s GLN 277 Ca 0.54 -0.13 0.06 0.00 -1.95 0.00 0.00 55.36 53.88 1m72 s GLN 277 Cb -0.24 -2.60 -0.05 0.00 -0.22 0.00 0.00 33.01 29.90 1m72 s GLN 277 CO 0.67 0.10 0.12 0.15 -0.25 0.00 0.00 175.29 176.08 1m72 s LYS 278 N -4.17 2.14 -0.22 2.91 -0.14 0.81 -0.65 119.74 120.42 1m72 s LYS 278 Ca 0.42 -2.03 -0.26 0.00 -1.36 0.00 0.00 55.97 52.74 1m72 s LYS 278 Cb -0.10 -1.81 0.07 0.00 -1.68 0.00 0.00 37.83 34.31 1m72 s LYS 278 CO 0.36 -0.18 0.74 -1.14 -0.76 0.00 0.00 175.35 174.37 1m72 s GLN 279 N -3.87 0.86 -0.01 1.68 0.74 -1.26 -4.23 119.66 113.57 1m72 s GLN 279 Ca 0.33 0.79 0.02 0.00 0.05 0.00 0.00 55.36 56.55 1m72 s GLN 279 Cb 0.05 0.42 -0.00 0.00 1.10 0.00 0.00 33.01 34.57 1m72 s GLN 279 CO 0.18 -0.15 -0.07 0.54 -0.55 0.00 0.00 175.29 175.24 1m72 s VAL 280 N -0.01 0.61 0.95 1.34 0.11 -1.26 -3.51 120.40 118.62 1m72 s VAL 280 Ca -0.02 -0.30 -0.12 0.00 -2.93 0.00 0.00 61.98 58.60 1m72 s VAL 280 Cb -0.04 -0.53 0.16 0.00 -1.53 0.00 0.00 36.38 34.44 1m72 s VAL 280 CO 0.03 0.18 1.11 -2.84 -3.33 0.00 0.00 175.10 170.25 1m72 s PRO 281 N -0.03 0.86 -0.21 1.54 0.02 -1.22 -3.32 135.00 132.65 1m72 s PRO 281 Ca 0.01 0.46 -0.01 0.00 0.02 0.00 0.00 61.00 61.48 1m72 s PRO 281 Cb -0.05 -1.79 0.06 0.00 0.02 0.00 0.00 34.50 32.74 1m72 s PRO 281 CO -0.00 -2.42 -0.02 0.00 -0.33 0.00 0.00 177.00 174.22 1m72 s ILE 283 N 1.60 4.43 -0.23 0.00 -1.09 -1.26 -0.74 121.20 123.91 1m72 s ILE 283 Ca -0.03 -0.28 -0.05 0.00 -2.23 0.00 0.00 60.65 58.06 1m72 s ILE 283 Cb -0.17 -3.15 -0.01 0.00 -1.58 0.00 0.00 42.46 37.54 1m72 s ILE 283 CO -0.07 0.22 -0.01 -0.89 -1.23 0.00 0.00 174.94 172.96 1m72 s THR 284 N 1.61 3.64 -0.06 2.92 2.01 0.12 -4.99 115.64 120.89 1m72 s THR 284 Ca 0.05 -0.40 0.04 0.00 0.31 0.00 0.00 61.69 61.69 1m72 s THR 284 Cb -0.16 -2.67 0.00 0.00 0.01 0.00 0.00 72.50 69.68 1m72 s THR 284 CO 0.05 0.40 -0.17 -0.55 -0.69 0.00 0.00 174.62 173.66 1m72 s SER 285 N 1.48 2.21 -0.03 3.53 0.15 -1.26 0.67 113.70 120.44 1m72 s SER 285 Ca 0.06 -0.37 0.07 0.00 0.70 0.00 0.00 55.95 56.40 1m72 s SER 285 Cb -0.14 -0.80 0.17 0.00 -1.71 0.00 0.00 66.02 63.54 1m72 s SER 285 CO -0.01 0.12 1.13 0.23 1.20 0.00 0.00 173.24 175.91 1m72 n MET 286 N 3.40 2.75 -1.75 5.44 2.81 0.12 -5.02 117.12 124.87 1m72 n MET 286 Ca -0.20 -1.91 -0.42 0.00 -1.81 0.00 0.00 57.70 53.37 1m72 n MET 286 Cb 0.53 -1.21 -0.03 0.00 -0.71 0.00 0.00 33.22 31.79 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 -1.37 4.38 0.00 4.03 1.43 -1.18 -1.38 118.68 124.59 1m72 s LEU 287 Ca 0.14 2.80 0.23 0.00 -1.03 0.00 0.00 54.13 56.27 1m72 s LEU 287 Cb 0.10 -3.59 0.12 0.00 0.03 0.00 0.00 46.19 42.85 1m72 s LEU 287 CO 0.06 -0.97 1.17 0.35 0.23 0.00 0.00 176.35 177.19 1m72 n THR 288 N 4.26 0.00 -4.14 5.49 -2.24 -1.26 -4.89 114.28 111.49 1m72 n THR 288 Ca 0.16 -0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.62 1m72 n THR 288 Cb 0.37 1.07 -0.09 0.00 -2.10 0.00 0.00 70.33 69.58 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 -2.53 1.22 0.30 -0.78 0.52 -1.26 -5.02 118.95 111.40 1m72 s ARG 289 Ca 0.19 -1.51 -0.20 0.00 -0.52 0.00 0.00 55.73 53.68 1m72 s ARG 289 Cb 0.18 0.31 -0.09 0.00 0.52 0.00 0.00 34.95 35.87 1m72 s ARG 289 CO 0.59 -0.42 0.81 -0.51 0.02 0.00 0.00 175.30 175.79 1m72 s LEU 290 N -3.11 4.22 -0.30 2.53 1.43 -0.00 -4.81 118.68 118.64 1m72 s LEU 290 Ca 0.33 1.53 -0.00 0.00 -1.03 0.00 0.00 54.13 54.96 1m72 s LEU 290 Cb 0.06 -3.94 0.06 0.00 0.03 0.00 0.00 46.19 42.40 1m72 s LEU 290 CO 0.09 -0.10 -0.01 -0.22 0.23 0.00 0.00 176.35 176.34 1m72 s LEU 291 N -2.39 3.94 -0.18 1.79 2.96 -1.26 -1.60 118.68 121.94 1m72 s LEU 291 Ca 0.50 -1.43 0.01 0.00 -0.22 0.00 0.00 54.13 52.99 1m72 s LEU 291 Cb -0.15 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 44.90 1m72 s LEU 291 CO 0.20 -0.27 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.09 1m72 s VAL 292 N 1.18 1.96 0.19 1.68 1.01 -1.26 -0.46 120.40 124.70 1m72 s VAL 292 Ca -0.04 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 60.88 1m72 s VAL 292 Cb -0.20 -1.82 0.12 0.00 0.00 0.00 0.00 36.38 34.48 1m72 s VAL 292 CO -0.03 0.46 1.86 -0.26 0.00 0.00 0.00 175.10 177.13 1m72 h PHE 293 N 7.95 0.84 -0.41 5.22 0.04 -1.73 -3.45 116.94 125.40 1m72 h PHE 293 Ca -0.41 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.37 1m72 h PHE 293 Cb 1.13 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 39.00 1m72 h PHE 293 CO 0.49 0.54 0.00 0.41 -0.60 0.00 0.00 178.31 179.14 1m72 n GLY 294 N -1.26 -1.27 3.17 -1.45 0.00 -0.51 -4.78 105.19 99.09 1m72 n GLY 294 Ca 0.05 -1.24 -0.27 0.00 0.00 0.00 0.00 46.02 44.56 1m72 n GLY 294 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m72 s LYS 295 N 0.00 1.93 0.00 1.61 1.02 -1.26 -4.70 119.74 118.34 1m72 s LYS 295 Ca 0.00 -0.68 0.11 0.00 0.02 0.00 0.00 55.97 55.42 1m72 s LYS 295 Cb 0.00 -1.68 0.68 0.00 -0.52 0.00 0.00 37.83 36.31 1m72 s LYS 295 CO 0.00 0.29 1.12 1.63 -0.92 0.00 0.00 175.35 177.47