#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1thj s GLN 1 N 0.00 3.47 -0.11 2.12 -0.21 -1.26 -5.10 119.66 118.58 1thj s GLN 1 Ca 0.00 -0.34 -0.02 0.00 0.02 0.00 0.00 55.36 55.03 1thj s GLN 1 Cb 0.00 -3.03 0.04 0.00 1.00 0.00 0.00 33.01 31.02 1thj s GLN 1 CO 0.00 0.61 0.00 -2.00 -2.12 0.00 0.00 175.29 171.78 1thj s GLU 2 N -2.34 0.72 -0.13 2.91 2.12 -1.26 -5.13 118.70 115.59 1thj s GLU 2 Ca 0.34 -0.09 -0.10 0.00 0.36 0.00 0.00 54.97 55.48 1thj s GLU 2 Cb -0.13 -1.37 -0.05 0.00 0.26 0.00 0.00 34.13 32.84 1thj s GLU 2 CO 0.25 -0.40 0.20 0.42 -0.54 0.00 0.00 175.26 175.19 1thj s ILE 3 N 1.91 5.38 -0.11 -3.70 1.01 -1.26 -5.08 121.20 119.35 1thj s ILE 3 Ca 0.03 0.35 0.04 0.00 0.00 0.00 0.00 60.65 61.07 1thj s ILE 3 Cb -0.14 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1thj s ILE 3 CO -0.06 0.52 -0.23 -0.89 0.00 0.00 0.00 174.94 174.28 1thj s THR 4 N -0.36 2.01 -0.09 2.92 2.01 -1.26 -5.13 115.64 115.74 1thj s THR 4 Ca 0.14 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.18 1thj s THR 4 Cb -0.12 -1.75 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 1thj s THR 4 CO 0.03 0.55 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.69 1thj s VAL 5 N 0.47 3.12 -0.25 3.82 1.01 -1.26 -5.09 120.40 122.21 1thj s VAL 5 Ca -0.16 -0.67 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 1thj s VAL 5 Cb -0.17 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1thj s VAL 5 CO 0.06 0.56 0.11 -0.62 0.00 0.00 0.00 175.10 175.20 1thj s ASP 6 N -0.16 5.44 0.05 3.32 -1.08 -1.26 -4.97 116.67 118.00 1thj s ASP 6 Ca -0.00 -0.13 0.27 0.00 -0.52 0.00 0.00 52.55 52.17 1thj s ASP 6 Cb -0.13 -1.99 1.11 0.00 -1.46 0.00 0.00 42.92 40.45 1thj s ASP 6 CO 0.03 -0.03 1.86 -0.62 0.52 0.00 0.00 175.17 176.94 1thj n GLU 7 N 4.88 0.06 -3.14 4.34 -0.58 -1.26 -4.24 120.64 120.70 1thj n GLU 7 Ca -0.16 0.07 -0.20 0.00 -0.42 0.00 0.00 57.16 56.46 1thj n GLU 7 Cb 0.52 -1.57 -0.03 0.00 -0.57 0.00 0.00 31.44 29.79 1thj n GLU 7 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1thj n PHE 8 N -1.67 0.95 0.75 -0.32 3.72 -1.26 -4.85 117.46 114.78 1thj n PHE 8 Ca 0.06 -3.86 0.11 0.00 -0.05 0.00 0.00 57.45 53.71 1thj n PHE 8 Cb 0.34 -0.43 0.47 0.00 -0.94 0.00 0.00 39.48 38.92 1thj n PHE 8 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1thj n SER 9 N 0.18 0.01 0.07 4.37 3.41 -1.26 -2.36 113.62 118.04 1thj n SER 9 Ca 0.26 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.50 1thj n SER 9 Cb 0.61 -0.50 0.28 0.00 -0.26 0.00 0.00 64.21 64.33 1thj n SER 9 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1thj n ASN 10 N -1.51 0.71 -3.75 4.04 6.94 -1.26 -4.14 115.26 116.29 1thj n ASN 10 Ca 0.05 0.28 -0.35 0.00 -0.02 0.00 0.00 54.58 54.54 1thj n ASN 10 Cb 0.26 -0.21 -0.04 0.00 -2.36 0.00 0.00 39.78 37.43 1thj n ASN 10 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1thj n ILE 11 N -2.12 3.85 -0.38 1.53 5.41 -1.00 -1.60 119.36 125.05 1thj n ILE 11 Ca 0.04 -5.56 0.00 0.00 1.00 0.00 0.00 62.75 58.23 1thj n ILE 11 Cb 0.43 -2.11 0.00 0.00 -0.71 0.00 0.00 39.64 37.25 1thj n ILE 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1thj n ARG 12 N 1.18 0.65 -4.41 0.38 1.74 -0.89 -4.90 116.66 110.41 1thj n ARG 12 Ca 0.27 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 57.14 1thj n ARG 12 Cb 0.37 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.72 1thj n ARG 12 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1thj s GLU 13 N -1.07 1.69 0.60 5.56 -1.05 -1.26 -3.79 118.70 119.38 1thj s GLU 13 Ca 0.00 -1.98 -0.19 0.00 -0.15 0.00 0.00 54.97 52.65 1thj s GLU 13 Cb 0.00 -0.38 -0.03 0.00 -0.44 0.00 0.00 34.13 33.28 1thj s GLU 13 CO 0.00 -0.41 1.21 -0.80 0.95 0.00 0.00 175.26 176.22 1thj s ASN 14 N -3.46 5.14 0.51 0.83 0.01 -0.42 -4.27 114.94 113.28 1thj s ASN 14 Ca 0.32 2.41 0.06 0.00 -0.71 0.00 0.00 52.86 54.94 1thj s ASN 14 Cb 0.05 -2.60 0.04 0.00 0.41 0.00 0.00 41.25 39.15 1thj s ASN 14 CO 0.16 -1.63 0.70 -2.16 -1.51 0.00 0.00 177.10 172.67 1thj s PRO 15 N -3.34 2.54 -0.23 -0.60 0.04 -1.26 -4.62 135.00 127.53 1thj s PRO 15 Ca 0.78 -1.21 -0.14 0.00 0.04 0.00 0.00 61.00 60.46 1thj s PRO 15 Cb -0.31 -2.63 -0.04 0.00 0.04 0.00 0.00 34.50 31.56 1thj s PRO 15 CO 0.34 -0.61 0.34 0.08 0.04 0.00 0.00 177.00 177.18 1thj s VAL 16 N -2.59 5.23 0.24 -0.36 1.01 -1.26 -4.67 120.40 118.00 1thj s VAL 16 Ca 0.58 0.55 0.01 0.00 0.00 0.00 0.00 61.98 63.12 1thj s VAL 16 Cb -0.09 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1thj s VAL 16 CO 0.37 0.25 0.09 0.42 0.00 0.00 0.00 175.10 176.22 1thj s THR 17 N 1.45 0.50 0.61 3.92 -4.23 0.16 -4.97 115.64 113.10 1thj s THR 17 Ca 0.15 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.96 1thj s THR 17 Cb -0.15 -2.55 0.35 0.00 1.34 0.00 0.00 72.50 71.50 1thj s THR 17 CO 0.08 -0.07 1.98 -0.65 -0.54 0.00 0.00 174.62 175.42 1thj h PRO 18 N 2.46 0.00 -0.00 3.99 0.11 -1.97 0.34 132.00 136.92 1thj h PRO 18 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1thj h PRO 18 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1thj h PRO 18 CO 0.60 0.00 -0.71 -2.67 -0.21 0.00 0.00 178.00 175.01 1thj n TRP 19 N -3.49 0.00 -3.56 0.65 2.14 -1.26 -4.40 117.44 107.53 1thj n TRP 19 Ca 0.03 0.00 -0.29 0.00 2.07 0.00 0.00 57.50 59.31 1thj n TRP 19 Cb 0.46 0.00 -0.13 0.00 -0.81 0.00 0.00 31.31 30.84 1thj n TRP 19 CO 0.00 0.00 0.00 1.21 2.07 0.00 0.00 177.69 180.97 1thj s ASN 20 N -2.47 3.26 0.23 -0.67 2.47 0.12 -4.92 114.94 112.96 1thj s ASN 20 Ca 0.08 -2.25 0.13 0.00 0.42 0.00 0.00 52.86 51.23 1thj s ASN 20 Cb 0.13 -0.62 -0.02 0.00 -1.45 0.00 0.00 41.25 39.29 1thj s ASN 20 CO 0.64 -0.31 1.38 1.55 -3.72 0.00 0.00 177.10 176.64 1thj h PRO 21 N 7.05 0.00 -4.19 0.43 0.13 -1.85 0.47 132.00 134.03 1thj h PRO 21 Ca 0.01 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.55 1thj h PRO 21 Cb 0.96 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.70 1thj h PRO 21 CO 0.35 0.63 -0.78 -1.83 -0.23 0.00 0.00 178.00 176.15 1thj s GLU 22 N -2.89 1.40 0.39 0.86 4.04 -1.26 -4.91 118.70 116.33 1thj s GLU 22 Ca 0.03 -0.97 -0.25 0.00 0.04 0.00 0.00 54.97 53.82 1thj s GLU 22 Cb 0.08 -2.51 -0.11 0.00 0.02 0.00 0.00 34.13 31.61 1thj s GLU 22 CO 0.77 -0.66 1.08 -2.30 -1.84 0.00 0.00 175.26 172.31 1thj n PRO 23 N 4.72 1.53 -4.49 -4.83 -0.02 -1.26 -5.03 135.00 125.62 1thj n PRO 23 Ca -0.10 0.54 -0.23 0.00 -2.02 0.00 0.00 63.50 61.69 1thj n PRO 23 Cb 0.44 -2.10 -0.10 0.00 -0.02 0.00 0.00 33.50 31.72 1thj n PRO 23 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1thj s SER 24 N -0.63 3.17 0.08 2.55 0.01 -1.26 -4.91 113.70 112.71 1thj s SER 24 Ca 0.61 -1.22 0.04 0.00 1.31 0.00 0.00 55.95 56.69 1thj s SER 24 Cb -0.57 -0.25 -0.03 0.00 0.21 0.00 0.00 66.02 65.38 1thj s SER 24 CO 0.58 -0.32 -0.11 0.00 0.41 0.00 0.00 173.24 173.81 1thj s ALA 25 N -2.86 1.02 0.26 1.44 0.00 -1.26 -1.30 121.76 119.06 1thj s ALA 25 Ca 0.31 -1.06 -0.31 0.00 0.00 0.00 0.00 51.96 50.91 1thj s ALA 25 Cb 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 23.12 23.03 1thj s ALA 25 CO 0.14 0.02 1.42 -2.30 0.00 0.00 0.00 175.76 175.04 1thj n PRO 26 N 0.91 2.13 -3.63 0.00 -0.02 -0.89 -4.44 135.00 129.07 1thj n PRO 26 Ca -0.19 0.76 -0.40 0.00 -2.02 0.00 0.00 63.50 61.65 1thj n PRO 26 Cb 0.56 -2.42 -0.11 0.00 -0.02 0.00 0.00 33.50 31.51 1thj n PRO 26 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1thj s VAL 27 N -0.15 4.43 -0.20 -1.45 1.01 0.49 -4.93 120.40 119.60 1thj s VAL 27 Ca 0.66 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1thj s VAL 27 Cb -0.62 -3.47 0.03 0.00 0.00 0.00 0.00 36.38 32.32 1thj s VAL 27 CO 0.51 -0.21 -0.16 -0.63 0.00 0.00 0.00 175.10 174.61 1thj s ILE 28 N 1.53 2.22 0.33 2.22 1.01 -1.26 -1.25 121.20 126.01 1thj s ILE 28 Ca 0.01 -1.05 -0.28 0.00 0.00 0.00 0.00 60.65 59.33 1thj s ILE 28 Cb -0.19 -2.03 -0.12 0.00 0.01 0.00 0.00 42.46 40.13 1thj s ILE 28 CO 0.06 0.40 1.33 -0.67 0.00 0.00 0.00 174.94 176.05 1thj n ASP 29 N 4.60 2.87 -0.13 3.58 -0.08 -0.53 -4.85 116.55 122.01 1thj n ASP 29 Ca -0.19 1.20 0.26 0.00 -1.51 0.00 0.00 54.79 54.55 1thj n ASP 29 Cb 0.48 -1.49 0.71 0.00 2.34 0.00 0.00 41.12 43.16 1thj n ASP 29 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1thj h PRO 30 N 2.81 0.00 0.00 -0.67 0.11 -1.91 -1.55 132.00 130.79 1thj h PRO 30 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1thj h PRO 30 Cb 1.28 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1thj h PRO 30 CO 0.64 0.00 -0.13 0.25 -0.21 0.00 0.00 178.00 178.56 1thj n THR 31 N -4.30 0.26 -2.16 -1.15 -2.24 -1.26 -4.87 114.28 98.55 1thj n THR 31 Ca 0.16 -0.14 -0.33 0.00 -2.27 0.00 0.00 64.05 61.47 1thj n THR 31 Cb 0.85 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1thj n THR 31 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1thj s ALA 32 N -3.06 2.72 -0.20 6.98 0.00 -0.59 -3.79 121.76 123.84 1thj s ALA 32 Ca 0.12 0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.63 1thj s ALA 32 Cb 0.16 -3.27 0.04 0.00 0.00 0.00 0.00 23.12 20.04 1thj s ALA 32 CO 0.60 -0.75 -0.12 -0.47 0.00 0.00 0.00 175.76 175.02 1thj s TYR 33 N -2.20 2.53 -0.46 0.00 5.04 -0.32 -4.92 117.35 117.02 1thj s TYR 33 Ca 0.67 -1.64 -0.11 0.00 -2.44 0.00 0.00 57.07 53.55 1thj s TYR 33 Cb -0.18 -1.71 0.10 0.00 0.35 0.00 0.00 41.96 40.52 1thj s TYR 33 CO 0.32 -0.76 0.34 0.42 -1.34 0.00 0.00 175.55 174.52 1thj s ILE 34 N 1.36 4.46 0.24 3.14 1.09 -1.26 -1.41 121.20 128.82 1thj s ILE 34 Ca -0.00 -1.52 -0.30 0.00 -1.10 0.00 0.00 60.65 57.73 1thj s ILE 34 Cb -0.16 -3.82 -0.15 0.00 -1.06 0.00 0.00 42.46 37.28 1thj s ILE 34 CO -0.09 -0.66 1.10 -0.67 -0.10 0.00 0.00 174.94 174.52 1thj n ASP 35 N 4.99 1.42 -0.06 3.58 -0.08 -0.62 -4.82 116.55 120.97 1thj n ASP 35 Ca -0.10 1.16 0.24 0.00 -1.51 0.00 0.00 54.79 54.58 1thj n ASP 35 Cb 0.42 -1.27 0.72 0.00 2.34 0.00 0.00 41.12 43.32 1thj n ASP 35 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1thj h PRO 36 N 2.71 0.00 -0.64 -0.67 0.13 -1.95 -0.21 132.00 131.36 1thj h PRO 36 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1thj h PRO 36 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1thj h PRO 36 CO 0.66 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.82 1thj n GLU 37 N -4.19 3.82 -2.81 0.86 1.02 -1.26 -4.85 120.64 113.23 1thj n GLU 37 Ca 0.13 -2.68 -0.21 0.00 -0.02 0.00 0.00 57.16 54.39 1thj n GLU 37 Cb 0.76 -1.96 0.06 0.00 -0.02 0.00 0.00 31.44 30.29 1thj n GLU 37 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1thj s ALA 38 N -2.07 4.20 -0.10 0.62 0.00 -0.09 -1.38 121.76 122.95 1thj s ALA 38 Ca 0.47 -1.77 -0.04 0.00 0.00 0.00 0.00 51.96 50.63 1thj s ALA 38 Cb 0.32 -1.78 0.05 0.00 0.00 0.00 0.00 23.12 21.71 1thj s ALA 38 CO 0.20 -0.92 0.17 0.45 0.00 0.00 0.00 175.76 175.65 1thj s SER 39 N -4.58 0.84 -0.17 0.00 0.15 -0.67 -4.83 113.70 104.43 1thj s SER 39 Ca 0.61 0.27 0.01 0.00 0.70 0.00 0.00 55.95 57.54 1thj s SER 39 Cb -0.07 0.28 0.02 0.00 -1.71 0.00 0.00 66.02 64.53 1thj s SER 39 CO 0.39 -0.25 -0.19 -0.69 1.20 0.00 0.00 173.24 173.70 1thj s VAL 40 N 2.29 1.98 0.00 4.45 1.01 -0.63 -1.09 120.40 128.42 1thj s VAL 40 Ca 0.03 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1thj s VAL 40 Cb -0.12 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 1thj s VAL 40 CO -0.06 0.53 -0.11 -0.63 0.00 0.00 0.00 175.10 174.82 1thj s ILE 41 N 1.27 0.87 0.00 2.22 1.01 -0.46 -2.10 121.20 124.01 1thj s ILE 41 Ca 0.04 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.12 1thj s ILE 41 Cb -0.13 -0.75 0.00 0.00 0.01 0.00 0.00 42.46 41.59 1thj s ILE 41 CO -0.11 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.61 1thj n GLY 42 N 2.62 -1.53 3.56 6.18 0.00 -1.25 -1.11 105.19 113.65 1thj n GLY 42 Ca -0.15 -1.31 -0.23 0.00 0.00 0.00 0.00 46.02 44.34 1thj n GLY 42 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1thj s GLU 43 N 0.00 2.26 0.08 1.61 2.12 -1.19 -2.09 118.70 121.49 1thj s GLU 43 Ca 0.00 -0.07 0.06 0.00 0.36 0.00 0.00 54.97 55.31 1thj s GLU 43 Cb 0.00 -4.98 -0.03 0.00 0.26 0.00 0.00 34.13 29.38 1thj s GLU 43 CO 0.00 -3.72 -0.15 0.08 -0.54 0.00 0.00 175.26 170.93 1thj s VAL 44 N 11.52 1.20 -0.18 3.70 1.01 -1.26 -2.45 120.40 133.94 1thj s VAL 44 Ca 0.77 -1.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 1thj s VAL 44 Cb -0.08 -1.16 0.06 0.00 0.00 0.00 0.00 36.38 35.19 1thj s VAL 44 CO 0.02 -0.21 0.05 -0.89 0.00 0.00 0.00 175.10 174.06 1thj s THR 45 N -1.30 0.35 -0.11 3.92 2.01 -0.94 -0.38 115.64 119.20 1thj s THR 45 Ca -0.00 -0.39 -0.02 0.00 0.31 0.00 0.00 61.69 61.58 1thj s THR 45 Cb -0.10 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 1thj s THR 45 CO 0.03 -0.18 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.14 1thj s ILE 46 N 1.94 4.19 0.00 1.82 1.01 -0.38 -0.80 121.20 128.99 1thj s ILE 46 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.38 1thj s ILE 46 Cb -0.16 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.52 1thj s ILE 46 CO -0.08 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.04 1thj n GLY 47 N 2.60 1.21 3.74 6.18 0.00 -0.40 -1.46 105.19 117.06 1thj n GLY 47 Ca -0.18 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 1thj n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1thj n ALA 48 N -3.00 2.40 -1.42 4.61 0.00 -1.26 -2.98 120.51 118.85 1thj n ALA 48 Ca 0.00 0.37 -0.15 0.00 0.00 0.00 0.00 53.44 53.67 1thj n ALA 48 Cb 0.00 -2.44 -0.06 0.00 0.00 0.00 0.00 19.45 16.95 1thj n ALA 48 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1thj n ASN 49 N 2.09 -5.52 -4.77 0.00 3.02 -1.25 -0.48 115.26 108.35 1thj n ASN 49 Ca 0.09 0.36 -0.40 0.00 -0.03 0.00 0.00 54.58 54.60 1thj n ASN 49 Cb 0.36 -4.31 -0.02 0.00 -0.61 0.00 0.00 39.78 35.20 1thj n ASN 49 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1thj s VAL 50 N -2.29 2.97 -0.39 2.41 1.01 -1.16 -4.55 120.40 118.40 1thj s VAL 50 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1thj s VAL 50 Cb 0.00 -3.56 0.11 0.00 0.00 0.00 0.00 36.38 32.93 1thj s VAL 50 CO 0.00 0.18 0.15 -0.32 0.00 0.00 0.00 175.10 175.11 1thj s MET 51 N -1.91 1.79 -0.49 2.72 1.75 -1.18 -1.17 119.30 120.82 1thj s MET 51 Ca 0.51 -1.91 -0.21 0.00 -1.25 0.00 0.00 55.69 52.83 1thj s MET 51 Cb -0.36 -3.41 0.04 0.00 2.84 0.00 0.00 34.83 33.94 1thj s MET 51 CO 0.46 -1.02 0.70 0.08 -0.65 0.00 0.00 175.02 174.60 1thj s VAL 52 N 0.92 4.75 0.96 10.11 1.01 -0.50 -2.04 120.40 135.61 1thj s VAL 52 Ca 0.10 -0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.88 1thj s VAL 52 Cb -0.21 -4.31 0.17 0.00 0.00 0.00 0.00 36.38 32.03 1thj s VAL 52 CO -0.06 -0.78 1.19 -0.44 0.00 0.00 0.00 175.10 175.01 1thj s SER 53 N 2.42 3.11 0.59 3.32 0.01 0.43 -1.59 113.70 121.99 1thj s SER 53 Ca 0.22 0.69 -0.19 0.00 1.31 0.00 0.00 55.95 57.97 1thj s SER 53 Cb -0.16 -1.05 -0.05 0.00 0.21 0.00 0.00 66.02 64.98 1thj s SER 53 CO 0.17 -2.77 1.05 -2.65 0.41 0.00 0.00 173.24 169.44 1thj n PRO 54 N -3.87 1.04 -0.59 12.44 -0.02 -1.26 -2.81 135.00 139.93 1thj n PRO 54 Ca 0.10 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1thj n PRO 54 Cb 0.60 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1thj n PRO 54 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1thj n MET 55 N -1.02 -0.08 -1.55 -0.52 2.81 -0.48 -2.87 117.12 113.41 1thj n MET 55 Ca 0.13 0.02 -0.34 0.00 -1.81 0.00 0.00 57.70 55.71 1thj n MET 55 Cb 0.46 -4.24 0.08 0.00 -0.71 0.00 0.00 33.22 28.81 1thj n MET 55 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1thj s ALA 56 N -1.41 2.25 -0.21 3.04 0.00 -1.12 -3.86 121.76 120.45 1thj s ALA 56 Ca 0.00 0.73 -0.04 0.00 0.00 0.00 0.00 51.96 52.65 1thj s ALA 56 Cb 0.00 -3.41 0.08 0.00 0.00 0.00 0.00 23.12 19.79 1thj s ALA 56 CO 0.00 -1.65 0.14 0.45 0.00 0.00 0.00 175.76 174.70 1thj s SER 57 N -2.27 2.34 -0.32 0.00 0.15 -0.00 -1.68 113.70 111.92 1thj s SER 57 Ca 0.71 -0.67 -0.07 0.00 0.70 0.00 0.00 55.95 56.62 1thj s SER 57 Cb -0.25 -0.09 0.02 0.00 -1.71 0.00 0.00 66.02 63.99 1thj s SER 57 CO 0.44 -0.36 0.10 -0.63 1.20 0.00 0.00 173.24 173.98 1thj s ILE 58 N 2.18 3.96 -0.36 6.45 1.01 -0.25 -0.77 121.20 133.42 1thj s ILE 58 Ca 0.05 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.85 1thj s ILE 58 Cb -0.16 -3.13 0.11 0.00 0.01 0.00 0.00 42.46 39.30 1thj s ILE 58 CO -0.16 -0.04 0.15 -0.60 0.00 0.00 0.00 174.94 174.29 1thj s ARG 59 N 1.47 0.98 -1.16 2.79 3.52 -1.01 -1.36 118.95 124.18 1thj s ARG 59 Ca 0.01 -1.49 -0.08 0.00 -0.13 0.00 0.00 55.73 54.03 1thj s ARG 59 Cb -0.18 -2.19 0.24 0.00 -1.56 0.00 0.00 34.95 31.26 1thj s ARG 59 CO 0.03 -1.06 1.48 0.45 -0.81 0.00 0.00 175.30 175.39 1thj n SER 60 N 4.29 5.66 0.00 -2.12 2.88 -0.27 -4.53 113.62 119.53 1thj n SER 60 Ca 0.03 -3.16 0.00 0.00 -1.33 0.00 0.00 58.87 54.40 1thj n SER 60 Cb 0.39 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 1thj n SER 60 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1thj n ASP 61 N 3.09 3.16 0.00 -3.46 5.75 -1.26 -3.15 116.55 120.68 1thj n ASP 61 Ca 0.31 -0.09 0.00 0.00 -0.01 0.00 0.00 54.79 55.00 1thj n ASP 61 Cb 0.37 0.80 0.00 0.00 -1.03 0.00 0.00 41.12 41.26 1thj n ASP 61 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1thj n GLU 62 N -1.12 0.00 -3.73 0.11 2.13 -1.26 -4.95 120.64 111.82 1thj n GLU 62 Ca 0.00 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.47 1thj n GLU 62 Cb 0.00 -0.31 -0.09 0.00 0.27 0.00 0.00 31.44 31.31 1thj n GLU 62 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1thj s GLY 63 N -2.35 2.01 0.11 8.31 0.00 -1.18 -3.86 107.32 110.36 1thj s GLY 63 Ca 0.00 -0.76 0.05 0.00 0.00 0.00 0.00 44.72 44.01 1thj s GLY 63 CO 0.00 0.22 -0.13 1.06 0.00 0.00 0.00 173.10 174.25 1thj s MET 64 N 0.58 0.95 0.51 2.90 -1.94 -1.26 -4.38 119.30 116.65 1thj s MET 64 Ca 0.08 -1.19 0.09 0.00 -1.71 0.00 0.00 55.69 52.95 1thj s MET 64 Cb -0.12 -0.77 0.05 0.00 2.01 0.00 0.00 34.83 36.00 1thj s MET 64 CO 0.00 0.14 0.68 -1.25 -0.01 0.00 0.00 175.02 174.58 1thj s PRO 65 N -2.64 2.52 -0.08 2.03 0.04 -1.26 -4.13 135.00 131.47 1thj s PRO 65 Ca 0.07 -1.50 0.03 0.00 0.04 0.00 0.00 61.00 59.64 1thj s PRO 65 Cb -0.05 -2.66 -0.02 0.00 0.04 0.00 0.00 34.50 31.82 1thj s PRO 65 CO 0.02 -0.60 -0.17 0.42 0.04 0.00 0.00 177.00 176.71 1thj s ILE 66 N -2.54 2.75 -0.06 0.56 1.01 -1.03 -0.93 121.20 120.96 1thj s ILE 66 Ca 0.58 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 60.45 1thj s ILE 66 Cb -0.07 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.32 1thj s ILE 66 CO 0.36 0.56 -0.15 0.12 0.00 0.00 0.00 174.94 175.83 1thj s PHE 67 N -0.15 1.60 -0.25 3.97 2.19 -0.50 -2.21 117.98 122.64 1thj s PHE 67 Ca -0.02 -0.54 0.01 0.00 0.33 0.00 0.00 56.93 56.71 1thj s PHE 67 Cb -0.14 -1.12 0.06 0.00 -1.31 0.00 0.00 43.02 40.52 1thj s PHE 67 CO 0.04 -0.24 -0.05 0.08 1.83 0.00 0.00 175.22 176.88 1thj s VAL 68 N 0.40 1.61 1.36 3.12 1.01 0.02 -0.28 120.40 127.65 1thj s VAL 68 Ca -0.11 -1.34 -0.22 0.00 0.00 0.00 0.00 61.98 60.32 1thj s VAL 68 Cb -0.14 -1.89 0.35 0.00 0.00 0.00 0.00 36.38 34.69 1thj s VAL 68 CO 0.03 -0.15 0.98 -0.83 0.00 0.00 0.00 175.10 175.14 1thj s GLY 69 N 1.35 1.46 0.42 4.51 0.00 0.11 -1.28 107.32 113.88 1thj s GLY 69 Ca -0.04 -0.86 -0.26 0.00 0.00 0.00 0.00 44.72 43.56 1thj s GLY 69 CO -0.07 0.12 1.28 0.99 0.00 0.00 0.00 173.10 175.42 1thj s ASP 70 N -3.37 6.27 0.00 1.64 1.11 -1.26 -3.14 116.67 117.92 1thj s ASP 70 Ca 0.69 2.61 0.00 0.00 0.18 0.00 0.00 52.55 56.03 1thj s ASP 70 Cb -0.12 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.24 1thj s ASP 70 CO 0.57 -0.87 0.00 0.54 1.18 0.00 0.00 175.17 176.59 1thj n ARG 71 N 0.03 -1.00 -1.97 8.23 1.74 0.37 -1.34 116.66 122.72 1thj n ARG 71 Ca 0.04 0.25 -0.29 0.00 -0.77 0.00 0.00 57.85 57.08 1thj n ARG 71 Cb 0.44 -4.43 0.18 0.00 -1.02 0.00 0.00 32.46 27.63 1thj n ARG 71 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1thj s SER 72 N -2.07 3.21 -0.16 0.55 0.01 -1.19 -4.12 113.70 109.93 1thj s SER 72 Ca 0.00 0.24 -0.15 0.00 1.31 0.00 0.00 55.95 57.35 1thj s SER 72 Cb 0.00 -0.31 0.04 0.00 0.21 0.00 0.00 66.02 65.96 1thj s SER 72 CO 0.00 -2.67 0.43 0.54 0.41 0.00 0.00 173.24 171.95 1thj s ASN 73 N -4.88 -0.45 -0.34 2.44 2.20 -0.36 -3.09 114.94 110.45 1thj s ASN 73 Ca 0.73 0.86 0.00 0.00 -0.94 0.00 0.00 52.86 53.52 1thj s ASN 73 Cb -0.04 0.88 0.09 0.00 -2.00 0.00 0.00 41.25 40.17 1thj s ASN 73 CO 0.52 -0.15 0.07 -0.69 -2.94 0.00 0.00 177.10 173.91 1thj s VAL 74 N 0.23 2.75 0.90 3.54 1.01 -0.86 -1.27 120.40 126.70 1thj s VAL 74 Ca -0.00 -1.96 -0.15 0.00 0.00 0.00 0.00 61.98 59.87 1thj s VAL 74 Cb -0.03 -2.83 0.21 0.00 0.00 0.00 0.00 36.38 33.72 1thj s VAL 74 CO 0.01 -0.45 1.22 0.00 0.00 0.00 0.00 175.10 175.87 1thj n GLN 75 N 4.47 -1.18 -1.64 2.72 6.02 -0.73 -0.43 117.38 126.61 1thj n GLN 75 Ca -0.04 -1.91 -0.45 0.00 -0.01 0.00 0.00 57.00 54.60 1thj n GLN 75 Cb 0.42 -1.25 -0.02 0.00 1.02 0.00 0.00 30.24 30.41 1thj n GLN 75 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1thj n ASP 76 N -3.78 2.13 0.00 1.08 9.92 -1.26 -2.17 116.55 122.48 1thj n ASP 76 Ca 0.15 1.17 0.00 0.00 -0.53 0.00 0.00 54.79 55.58 1thj n ASP 76 Cb 0.53 -1.37 0.00 0.00 -0.64 0.00 0.00 41.12 39.64 1thj n ASP 76 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1thj n GLY 77 N 1.49 2.11 3.67 0.44 0.00 -1.14 -0.77 105.19 111.00 1thj n GLY 77 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1thj n GLY 77 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1thj n VAL 78 N -1.83 3.04 -4.42 1.61 0.31 -0.92 -4.59 118.33 111.53 1thj n VAL 78 Ca 0.00 -0.50 -0.21 0.00 -0.01 0.00 0.00 64.34 63.62 1thj n VAL 78 Cb 0.00 -1.41 -0.16 0.00 -0.91 0.00 0.00 33.84 31.37 1thj n VAL 78 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1thj s VAL 79 N -1.30 0.83 -0.02 2.52 1.01 -1.19 -0.82 120.40 121.42 1thj s VAL 79 Ca 0.67 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 62.33 1thj s VAL 79 Cb -0.48 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 1thj s VAL 79 CO 0.54 0.26 -0.21 -0.76 0.00 0.00 0.00 175.10 174.93 1thj s LEU 80 N 0.20 2.02 0.02 3.92 1.43 0.05 -1.81 118.68 124.51 1thj s LEU 80 Ca -0.04 -0.38 -0.28 0.00 -1.03 0.00 0.00 54.13 52.40 1thj s LEU 80 Cb -0.09 -1.08 0.10 0.00 0.03 0.00 0.00 46.19 45.15 1thj s LEU 80 CO 0.01 0.24 0.92 -2.28 0.23 0.00 0.00 176.35 175.46 1thj s HIS 81 N -0.37 -0.29 0.16 0.29 2.46 -1.17 -2.41 115.29 113.95 1thj s HIS 81 Ca 0.05 0.12 -0.05 0.00 0.47 0.00 0.00 55.06 55.65 1thj s HIS 81 Cb -0.09 0.56 -0.02 0.00 -0.13 0.00 0.00 32.58 32.89 1thj s HIS 81 CO 0.00 -0.59 0.19 0.00 -2.47 0.00 0.00 174.74 171.87 1thj s ALA 82 N -3.12 0.44 0.26 1.58 0.00 -1.26 0.45 121.76 120.11 1thj s ALA 82 Ca 0.07 -1.19 -0.15 0.00 0.00 0.00 0.00 51.96 50.68 1thj s ALA 82 Cb -0.01 0.92 -0.08 0.00 0.00 0.00 0.00 23.12 23.94 1thj s ALA 82 CO -0.07 -0.59 0.69 -0.51 0.00 0.00 0.00 175.76 175.29 1thj s LEU 83 N -3.02 4.18 -0.47 0.00 1.43 -1.18 -3.12 118.68 116.50 1thj s LEU 83 Ca 0.22 1.25 -0.42 0.00 -1.03 0.00 0.00 54.13 54.15 1thj s LEU 83 Cb 0.05 -3.81 -0.18 0.00 0.03 0.00 0.00 46.19 42.28 1thj s LEU 83 CO 0.02 -0.09 1.89 1.21 0.23 0.00 0.00 176.35 179.61 1thj n GLU 84 N 0.09 0.00 0.05 1.70 2.13 -1.26 -3.71 120.64 119.64 1thj n GLU 84 Ca 0.01 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.95 1thj n GLU 84 Cb 0.52 -1.41 0.19 0.00 0.27 0.00 0.00 31.44 31.01 1thj n GLU 84 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1thj n THR 85 N 5.56 0.32 -4.15 6.31 -2.24 -1.25 -4.73 114.28 114.09 1thj n THR 85 Ca 0.46 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.85 1thj n THR 85 Cb -0.04 -0.11 -0.13 0.00 -2.10 0.00 0.00 70.33 67.95 1thj n THR 85 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1thj s ILE 86 N -3.15 0.54 0.65 2.28 -1.09 -1.26 -0.79 121.20 118.38 1thj s ILE 86 Ca 0.07 -0.61 0.01 0.00 -2.23 0.00 0.00 60.65 57.88 1thj s ILE 86 Cb 0.14 -0.52 0.13 0.00 -1.58 0.00 0.00 42.46 40.63 1thj s ILE 86 CO 0.71 -0.07 0.90 -0.46 -1.23 0.00 0.00 174.94 174.79 1thj n ASN 87 N 2.31 1.33 0.00 3.58 0.23 -0.52 -4.86 115.26 117.33 1thj n ASN 87 Ca -0.17 -2.09 0.06 0.00 -0.53 0.00 0.00 54.58 51.84 1thj n ASN 87 Cb 0.56 -0.57 0.35 0.00 -2.08 0.00 0.00 39.78 38.04 1thj n ASN 87 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1thj n GLU 88 N -2.63 0.58 -0.03 -3.83 0.28 -1.26 -2.07 120.64 111.68 1thj n GLU 88 Ca 0.15 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.21 1thj n GLU 88 Cb 0.54 -1.31 0.07 0.00 1.43 0.00 0.00 31.44 32.17 1thj n GLU 88 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1thj n GLU 89 N -0.81 0.97 -0.84 3.44 4.71 -1.26 -4.90 120.64 121.95 1thj n GLU 89 Ca 0.09 -1.33 0.00 0.00 -0.01 0.00 0.00 57.16 55.90 1thj n GLU 89 Cb 0.04 -1.23 0.00 0.00 -1.01 0.00 0.00 31.44 29.24 1thj n GLU 89 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1thj n GLY 90 N 0.65 0.50 3.70 0.62 0.00 -0.88 -5.04 105.19 104.74 1thj n GLY 90 Ca 0.08 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 1thj n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1thj s GLU 91 N -1.43 4.25 0.28 1.61 0.41 -1.26 -4.87 118.70 117.70 1thj s GLU 91 Ca 0.00 0.33 -0.30 0.00 -0.41 0.00 0.00 54.97 54.59 1thj s GLU 91 Cb 0.00 -3.49 -0.10 0.00 -1.78 0.00 0.00 34.13 28.76 1thj s GLU 91 CO 0.00 0.05 1.45 -2.14 -0.49 0.00 0.00 175.26 174.13 1thj s PRO 92 N 0.99 4.24 -1.11 0.39 0.02 -1.26 -1.43 135.00 136.83 1thj s PRO 92 Ca 0.22 2.37 -0.12 0.00 0.02 0.00 0.00 61.00 63.49 1thj s PRO 92 Cb -0.15 -3.07 0.22 0.00 0.02 0.00 0.00 34.50 31.52 1thj s PRO 92 CO 0.09 -0.43 1.22 0.42 -0.33 0.00 0.00 177.00 177.96 1thj s ILE 93 N -0.32 5.48 0.29 2.83 1.01 0.03 -4.88 121.20 125.64 1thj s ILE 93 Ca 0.58 -2.88 0.04 0.00 0.00 0.00 0.00 60.65 58.39 1thj s ILE 93 Cb -0.43 -4.73 0.38 0.00 0.01 0.00 0.00 42.46 37.69 1thj s ILE 93 CO 0.48 -1.38 1.46 -0.62 0.00 0.00 0.00 174.94 174.88 1thj n GLU 94 N 4.32 -0.07 -0.30 2.79 -0.58 -1.26 -1.37 120.64 124.16 1thj n GLU 94 Ca 0.28 1.38 0.22 0.00 -0.42 0.00 0.00 57.16 58.62 1thj n GLU 94 Cb 0.42 -2.22 0.51 0.00 -0.57 0.00 0.00 31.44 29.58 1thj n GLU 94 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1thj h ASP 95 N 0.00 0.44 -0.57 1.62 3.32 -1.97 -2.02 116.42 117.24 1thj h ASP 95 Ca 0.59 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.71 1thj h ASP 95 Cb 1.27 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1thj h ASP 95 CO -0.85 0.11 0.00 0.59 -1.72 0.00 0.00 179.24 177.37 1thj n ASN 96 N -4.59 3.32 -4.43 6.45 3.02 -0.47 -4.89 115.26 113.68 1thj n ASN 96 Ca 0.24 -2.10 -0.33 0.00 -0.03 0.00 0.00 54.58 52.36 1thj n ASN 96 Cb 0.83 -0.42 -0.14 0.00 -0.61 0.00 0.00 39.78 39.44 1thj n ASN 96 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1thj s ILE 97 N -1.38 3.04 0.05 2.41 1.01 -0.76 -4.29 121.20 121.27 1thj s ILE 97 Ca 0.39 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 60.40 1thj s ILE 97 Cb 0.22 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 1thj s ILE 97 CO 0.25 0.57 -0.14 0.54 0.00 0.00 0.00 174.94 176.15 1thj s VAL 98 N -0.33 3.10 -0.13 2.92 0.11 -0.26 -4.94 120.40 120.87 1thj s VAL 98 Ca 0.03 -1.11 0.01 0.00 -2.93 0.00 0.00 61.98 57.98 1thj s VAL 98 Cb -0.13 -2.35 -0.01 0.00 -1.53 0.00 0.00 36.38 32.37 1thj s VAL 98 CO 0.02 0.30 -0.16 -0.70 -3.33 0.00 0.00 175.10 171.23 1thj s GLU 99 N -1.59 3.24 -0.19 1.54 2.12 -1.26 -0.29 118.70 122.27 1thj s GLU 99 Ca 0.16 -0.75 -0.01 0.00 0.36 0.00 0.00 54.97 54.73 1thj s GLU 99 Cb -0.11 -2.56 0.05 0.00 0.26 0.00 0.00 34.13 31.78 1thj s GLU 99 CO 0.07 0.13 -0.01 0.08 -0.54 0.00 0.00 175.26 174.99 1thj s VAL 100 N 0.54 0.89 -1.31 3.70 1.01 0.18 -4.79 120.40 120.62 1thj s VAL 100 Ca -0.10 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 1thj s VAL 100 Cb -0.16 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.01 1thj s VAL 100 CO 0.04 -0.06 1.05 0.47 0.00 0.00 0.00 175.10 176.60 1thj n ASP 101 N 4.93 -4.03 0.00 3.32 8.00 -1.26 -2.05 116.55 125.46 1thj n ASP 101 Ca -0.10 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.78 1thj n ASP 101 Cb 0.47 -4.87 0.00 0.00 -0.02 0.00 0.00 41.12 36.70 1thj n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1thj n GLY 102 N -1.60 1.24 3.68 0.44 0.00 -1.26 -5.00 105.19 102.69 1thj n GLY 102 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1thj n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1thj s LYS 103 N -0.12 2.83 0.13 1.61 3.01 -0.87 -5.10 119.74 121.23 1thj s LYS 103 Ca 0.00 -0.56 -0.10 0.00 -1.01 0.00 0.00 55.97 54.30 1thj s LYS 103 Cb 0.00 -2.69 -0.06 0.00 -1.01 0.00 0.00 37.83 34.06 1thj s LYS 103 CO 0.00 0.64 0.45 -1.21 0.51 0.00 0.00 175.35 175.74 1thj s GLU 104 N -1.37 3.78 0.06 1.68 2.02 -1.26 -0.65 118.70 122.96 1thj s GLU 104 Ca 0.18 0.20 -0.11 0.00 0.02 0.00 0.00 54.97 55.26 1thj s GLU 104 Cb -0.11 -2.89 0.01 0.00 0.10 0.00 0.00 34.13 31.23 1thj s GLU 104 CO 0.08 0.48 0.23 0.71 0.02 0.00 0.00 175.26 176.78 1thj s TYR 105 N -1.53 0.04 -0.09 1.61 1.51 0.60 -4.80 117.35 114.68 1thj s TYR 105 Ca 0.38 -0.31 -0.00 0.00 -1.01 0.00 0.00 57.07 56.13 1thj s TYR 105 Cb -0.13 0.01 -0.25 0.00 -0.11 0.00 0.00 41.96 41.47 1thj s TYR 105 CO 0.20 -0.50 0.47 0.00 -1.11 0.00 0.00 175.55 174.61 1thj n ALA 106 N 0.37 1.09 -3.74 3.71 0.00 -0.11 -1.10 120.51 120.73 1thj n ALA 106 Ca -0.17 -0.64 -0.14 0.00 0.00 0.00 0.00 53.44 52.48 1thj n ALA 106 Cb 0.60 -0.74 -0.15 0.00 0.00 0.00 0.00 19.45 19.16 1thj n ALA 106 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1thj s VAL 107 N -2.57 -0.08 -0.16 0.00 1.01 -1.00 -2.80 120.40 114.80 1thj s VAL 107 Ca -0.16 0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.03 1thj s VAL 107 Cb 0.07 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 36.25 1thj s VAL 107 CO 0.79 0.09 -0.08 -0.47 0.00 0.00 0.00 175.10 175.42 1thj s TYR 108 N 1.35 1.88 -0.23 5.22 6.14 -0.93 -1.41 117.35 129.38 1thj s TYR 108 Ca -0.07 -1.13 -0.04 0.00 0.64 0.00 0.00 57.07 56.47 1thj s TYR 108 Cb -0.12 -1.41 0.00 0.00 0.42 0.00 0.00 41.96 40.85 1thj s TYR 108 CO -0.06 -0.63 -0.04 0.42 0.64 0.00 0.00 175.55 175.88 1thj s ILE 109 N 1.58 3.29 0.00 3.14 1.09 0.62 -0.98 121.20 129.93 1thj s ILE 109 Ca 0.02 -0.62 0.00 0.00 -1.10 0.00 0.00 60.65 58.95 1thj s ILE 109 Cb -0.14 -2.54 0.00 0.00 -1.06 0.00 0.00 42.46 38.71 1thj s ILE 109 CO -0.09 0.35 0.00 0.61 -0.10 0.00 0.00 174.94 175.72 1thj n GLY 110 N 4.77 -1.77 3.89 6.18 0.00 -0.44 0.04 105.19 117.86 1thj n GLY 110 Ca -0.18 -1.34 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 1thj n GLY 110 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1thj s ASN 111 N -1.51 6.56 -1.47 1.61 0.01 -1.26 -2.70 114.94 116.17 1thj s ASN 111 Ca 0.00 0.77 -0.07 0.00 -0.71 0.00 0.00 52.86 52.84 1thj s ASN 111 Cb 0.00 -2.16 0.03 0.00 0.41 0.00 0.00 41.25 39.52 1thj s ASN 111 CO 0.00 -0.02 0.76 0.59 -1.51 0.00 0.00 177.10 176.92 1thj n ASN 112 N -0.07 -5.66 -4.74 -1.22 3.02 -0.45 -1.73 115.26 104.40 1thj n ASN 112 Ca -0.01 -0.41 -0.36 0.00 -0.03 0.00 0.00 54.58 53.77 1thj n ASN 112 Cb 0.52 -4.55 -0.08 0.00 -0.61 0.00 0.00 39.78 35.06 1thj n ASN 112 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1thj s VAL 113 N -3.18 4.80 -0.21 2.41 1.01 -1.26 -2.88 120.40 121.09 1thj s VAL 113 Ca 0.42 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.31 1thj s VAL 113 Cb -0.20 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 1thj s VAL 113 CO 0.52 0.59 -0.05 -0.44 0.00 0.00 0.00 175.10 175.72 1thj s SER 114 N -0.75 4.31 -0.92 3.32 0.01 -0.82 -1.23 113.70 117.62 1thj s SER 114 Ca 0.12 -0.37 -0.05 0.00 1.31 0.00 0.00 55.95 56.96 1thj s SER 114 Cb -0.12 -1.73 0.23 0.00 0.21 0.00 0.00 66.02 64.61 1thj s SER 114 CO 0.03 0.00 0.83 -0.76 0.41 0.00 0.00 173.24 173.75 1thj s LEU 115 N 1.35 5.84 1.03 2.44 1.43 -0.40 0.24 118.68 130.62 1thj s LEU 115 Ca 0.04 -3.51 -0.13 0.00 -1.03 0.00 0.00 54.13 49.51 1thj s LEU 115 Cb -0.14 -2.01 0.16 0.00 0.03 0.00 0.00 46.19 44.23 1thj s LEU 115 CO -0.02 -0.26 0.78 0.00 0.23 0.00 0.00 176.35 177.07 1thj n ALA 116 N 2.70 -2.33 -1.42 4.21 0.00 -0.39 -1.77 120.51 121.52 1thj n ALA 116 Ca 0.20 -0.87 -0.55 0.00 0.00 0.00 0.00 53.44 52.22 1thj n ALA 116 Cb 0.39 -1.95 -0.08 0.00 0.00 0.00 0.00 19.45 17.80 1thj n ALA 116 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1thj n HIS 117 N -4.37 1.05 -0.80 0.00 8.25 -1.26 -1.02 115.22 117.07 1thj n HIS 117 Ca 0.06 0.96 0.00 0.00 -0.26 0.00 0.00 57.72 58.49 1thj n HIS 117 Cb 0.54 -1.88 0.00 0.00 1.12 0.00 0.00 29.99 29.77 1thj n HIS 117 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1thj n GLN 118 N 2.41 -0.09 -1.08 -0.41 6.02 0.05 -1.46 117.38 122.83 1thj n GLN 118 Ca 0.22 0.02 -0.29 0.00 -0.01 0.00 0.00 57.00 56.94 1thj n GLN 118 Cb 0.01 -3.44 0.21 0.00 1.02 0.00 0.00 30.24 28.05 1thj n GLN 118 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1thj s SER 119 N -2.50 1.62 -0.12 1.08 1.04 -0.19 -4.12 113.70 110.50 1thj s SER 119 Ca 0.00 0.92 -0.15 0.00 0.48 0.00 0.00 55.95 57.21 1thj s SER 119 Cb 0.00 -1.39 0.04 0.00 0.10 0.00 0.00 66.02 64.76 1thj s SER 119 CO 0.00 -3.72 0.39 -1.58 0.98 0.00 0.00 173.24 169.31 1thj s GLN 120 N -5.15 0.53 -0.05 4.02 0.74 -0.90 -3.15 119.66 115.70 1thj s GLN 120 Ca 0.68 0.41 0.01 0.00 0.05 0.00 0.00 55.36 56.51 1thj s GLN 120 Cb -0.15 0.25 0.02 0.00 1.10 0.00 0.00 33.01 34.24 1thj s GLN 120 CO 0.57 -0.09 -0.05 0.08 -0.55 0.00 0.00 175.29 175.25 1thj s VAL 121 N -0.13 0.62 -0.06 1.34 1.01 -0.75 -2.43 120.40 120.01 1thj s VAL 121 Ca -0.03 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1thj s VAL 121 Cb -0.03 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.71 1thj s VAL 121 CO 0.02 0.25 -0.14 -2.28 0.00 0.00 0.00 175.10 172.95 1thj s HIS 122 N 1.04 1.58 0.62 5.22 5.04 -0.51 -3.05 115.29 125.23 1thj s HIS 122 Ca -0.09 -0.55 -0.17 0.00 -1.54 0.00 0.00 55.06 52.71 1thj s HIS 122 Cb -0.14 -1.12 -0.02 0.00 0.04 0.00 0.00 32.58 31.34 1thj s HIS 122 CO -0.00 -0.25 1.14 0.20 -2.34 0.00 0.00 174.74 173.49 1thj s GLY 123 N 0.44 2.39 0.31 1.59 0.00 0.17 -3.43 107.32 108.80 1thj s GLY 123 Ca -0.11 0.73 -0.28 0.00 0.00 0.00 0.00 44.72 45.05 1thj s GLY 123 CO 0.04 1.09 1.13 -4.14 0.00 0.00 0.00 173.10 171.22 1thj s PRO 124 N -3.73 4.48 -0.01 2.90 0.02 -1.26 -3.10 135.00 134.30 1thj s PRO 124 Ca 0.71 1.84 -0.29 0.00 0.02 0.00 0.00 61.00 63.28 1thj s PRO 124 Cb -0.24 -3.04 0.10 0.00 0.02 0.00 0.00 34.50 31.34 1thj s PRO 124 CO 0.36 0.06 0.87 0.00 -0.33 0.00 0.00 177.00 177.97 1thj s ALA 125 N -1.24 -1.82 -0.14 -1.55 0.00 -1.12 -1.01 121.76 114.88 1thj s ALA 125 Ca 0.48 1.05 -0.14 0.00 0.00 0.00 0.00 51.96 53.35 1thj s ALA 125 Cb -0.32 0.33 0.04 0.00 0.00 0.00 0.00 23.12 23.17 1thj s ALA 125 CO 0.41 -0.65 0.40 0.00 0.00 0.00 0.00 175.76 175.92 1thj s ALA 126 N -2.91 -0.98 -0.16 0.00 0.00 -1.12 -2.19 121.76 114.40 1thj s ALA 126 Ca 0.04 1.10 -0.03 0.00 0.00 0.00 0.00 51.96 53.06 1thj s ALA 126 Cb -0.01 -0.62 0.05 0.00 0.00 0.00 0.00 23.12 22.54 1thj s ALA 126 CO -0.08 -0.19 0.06 0.08 0.00 0.00 0.00 175.76 175.63 1thj s VAL 127 N 0.14 0.20 1.17 0.00 1.01 -0.15 -0.78 120.40 121.99 1thj s VAL 127 Ca -0.01 -0.23 -0.13 0.00 0.00 0.00 0.00 61.98 61.62 1thj s VAL 127 Cb -0.03 -0.71 0.29 0.00 0.00 0.00 0.00 36.38 35.93 1thj s VAL 127 CO 0.01 -0.15 1.03 -0.83 0.00 0.00 0.00 175.10 175.15 1thj s GLY 128 N 2.01 1.54 0.84 4.51 0.00 0.19 -1.32 107.32 115.09 1thj s GLY 128 Ca 0.01 -0.19 -0.12 0.00 0.00 0.00 0.00 44.72 44.42 1thj s GLY 128 CO -0.08 0.54 1.18 0.99 0.00 0.00 0.00 173.10 175.73 1thj s ASP 129 N -2.59 3.44 -1.25 1.64 1.01 -1.26 -3.39 116.67 114.26 1thj s ASP 129 Ca 0.68 2.29 -0.07 0.00 0.71 0.00 0.00 52.55 56.17 1thj s ASP 129 Cb -0.25 -2.58 0.05 0.00 1.01 0.00 0.00 42.92 41.16 1thj s ASP 129 CO 0.64 -2.77 0.40 0.47 0.21 0.00 0.00 175.17 174.13 1thj n ASP 130 N -3.57 -3.98 -4.73 0.27 8.00 -0.71 -1.63 116.55 110.20 1thj n ASP 130 Ca 0.13 -0.26 -0.31 0.00 0.71 0.00 0.00 54.79 55.06 1thj n ASP 130 Cb 0.51 -3.30 -0.07 0.00 -0.02 0.00 0.00 41.12 38.24 1thj n ASP 130 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1thj s THR 131 N -2.89 4.31 -0.30 -3.53 2.01 -1.22 -3.27 115.64 110.75 1thj s THR 131 Ca 0.31 -0.79 -0.00 0.00 0.31 0.00 0.00 61.69 61.52 1thj s THR 131 Cb -0.16 -3.04 0.06 0.00 0.01 0.00 0.00 72.50 69.37 1thj s THR 131 CO 0.38 0.18 -0.01 0.12 -0.69 0.00 0.00 174.62 174.61 1thj s PHE 132 N -1.30 3.32 -0.80 4.92 5.36 -0.91 -1.95 117.98 126.62 1thj s PHE 132 Ca 0.26 -2.09 -0.20 0.00 -0.96 0.00 0.00 56.93 53.94 1thj s PHE 132 Cb -0.12 -2.21 0.11 0.00 -0.34 0.00 0.00 43.02 40.46 1thj s PHE 132 CO 0.18 -0.84 1.01 0.42 -1.46 0.00 0.00 175.22 174.53 1thj s ILE 133 N 1.19 4.64 1.06 3.12 -1.09 0.14 -1.06 121.20 129.19 1thj s ILE 133 Ca -0.04 -1.14 -0.16 0.00 -2.23 0.00 0.00 60.65 57.08 1thj s ILE 133 Cb -0.20 -4.71 0.09 0.00 -1.58 0.00 0.00 42.46 36.07 1thj s ILE 133 CO -0.03 -1.43 0.24 0.61 -1.23 0.00 0.00 174.94 173.10 1thj n GLY 134 N 5.38 -2.25 3.62 6.18 0.00 0.88 -1.26 105.19 117.74 1thj n GLY 134 Ca 0.11 -0.80 -0.48 0.00 0.00 0.00 0.00 46.02 44.85 1thj n GLY 134 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1thj n MET 135 N -2.17 1.53 -0.84 1.61 2.81 -1.26 -1.21 117.12 117.59 1thj n MET 135 Ca 0.03 0.55 0.00 0.00 -1.81 0.00 0.00 57.70 56.47 1thj n MET 135 Cb 0.58 -2.16 0.00 0.00 -0.71 0.00 0.00 33.22 30.93 1thj n MET 135 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1thj n GLN 136 N 2.30 -0.86 -0.60 0.03 6.02 -0.53 -1.50 117.38 122.23 1thj n GLN 136 Ca 0.15 0.21 -0.29 0.00 -0.01 0.00 0.00 57.00 57.07 1thj n GLN 136 Cb 0.25 -4.30 0.26 0.00 1.02 0.00 0.00 30.24 27.47 1thj n GLN 136 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1thj s ALA 137 N -1.45 -0.41 -0.14 -1.58 0.00 -0.35 -4.38 121.76 113.45 1thj s ALA 137 Ca 0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 51.96 51.47 1thj s ALA 137 Cb 0.00 -3.13 0.05 0.00 0.00 0.00 0.00 23.12 20.04 1thj s ALA 137 CO 0.00 -3.96 0.34 0.12 0.00 0.00 0.00 175.76 172.26 1thj s PHE 138 N -2.50 -0.45 -0.06 0.00 5.36 -1.02 -2.11 117.98 117.20 1thj s PHE 138 Ca 0.68 1.02 -0.00 0.00 -0.96 0.00 0.00 56.93 57.68 1thj s PHE 138 Cb -0.21 0.16 0.03 0.00 -0.34 0.00 0.00 43.02 42.66 1thj s PHE 138 CO 0.62 -0.26 -0.02 0.08 -1.46 0.00 0.00 175.22 174.18 1thj s VAL 139 N 0.99 0.43 -0.08 3.12 1.01 -1.02 -1.31 120.40 123.53 1thj s VAL 139 Ca -0.07 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.84 1thj s VAL 139 Cb -0.07 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.81 1thj s VAL 139 CO -0.07 0.23 0.25 0.12 0.00 0.00 0.00 175.10 175.63 1thj s PHE 140 N 1.43 -0.25 -1.58 5.22 5.36 -0.74 -1.42 117.98 126.00 1thj s PHE 140 Ca -0.03 0.61 -0.19 0.00 -0.96 0.00 0.00 56.93 56.36 1thj s PHE 140 Cb -0.13 0.09 0.18 0.00 -0.34 0.00 0.00 43.02 42.81 1thj s PHE 140 CO -0.03 -0.16 0.58 1.63 -1.46 0.00 0.00 175.22 175.79 1thj n LYS 141 N 2.75 -1.92 -4.45 10.12 5.02 -0.18 -1.94 118.16 127.57 1thj n LYS 141 Ca -0.14 0.23 -0.24 0.00 -2.02 0.00 0.00 58.31 56.14 1thj n LYS 141 Cb 0.58 -4.86 -0.08 0.00 -0.02 0.00 0.00 35.03 30.65 1thj n LYS 141 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1thj s SER 142 N -3.07 2.47 -0.30 4.39 0.01 -1.16 -2.10 113.70 113.94 1thj s SER 142 Ca 0.68 -1.71 -0.03 0.00 1.31 0.00 0.00 55.95 56.21 1thj s SER 142 Cb -0.39 0.54 0.10 0.00 0.21 0.00 0.00 66.02 66.49 1thj s SER 142 CO 0.84 -0.98 0.13 -0.75 0.41 0.00 0.00 173.24 172.89 1thj s LYS 143 N -3.64 0.35 -0.10 12.44 2.20 -0.95 -2.81 119.74 127.24 1thj s LYS 143 Ca 0.28 -0.74 -0.26 0.00 -0.36 0.00 0.00 55.97 54.89 1thj s LYS 143 Cb 0.02 -1.36 -0.02 0.00 -1.51 0.00 0.00 37.83 34.95 1thj s LYS 143 CO 0.18 -1.03 0.83 0.08 -0.36 0.00 0.00 175.35 175.05 1thj s VAL 144 N 1.88 4.93 0.12 4.02 1.01 0.04 -1.91 120.40 130.49 1thj s VAL 144 Ca 0.10 1.68 -0.02 0.00 0.00 0.00 0.00 61.98 63.74 1thj s VAL 144 Cb -0.17 -4.15 0.03 0.00 0.00 0.00 0.00 36.38 32.08 1thj s VAL 144 CO -0.30 0.12 0.15 0.61 0.00 0.00 0.00 175.10 175.68 1thj n GLY 145 N 3.21 -1.43 3.72 4.51 0.00 -1.00 -0.63 105.19 113.57 1thj n GLY 145 Ca 0.03 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 1thj n GLY 145 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1thj s ASN 146 N -1.62 3.47 -0.79 1.61 -0.87 -1.26 -3.57 114.94 111.91 1thj s ASN 146 Ca 0.09 1.44 -0.10 0.00 -1.57 0.00 0.00 52.86 52.72 1thj s ASN 146 Cb -0.00 -2.12 0.10 0.00 -0.02 0.00 0.00 41.25 39.21 1thj s ASN 146 CO 0.06 -2.63 0.25 0.59 -2.57 0.00 0.00 177.10 172.80 1thj n ASN 147 N -3.87 -1.12 -4.80 -1.22 3.02 -0.65 -1.75 115.26 104.87 1thj n ASN 147 Ca 0.07 -0.35 -0.22 0.00 -0.03 0.00 0.00 54.58 54.05 1thj n ASN 147 Cb 0.56 -1.03 0.09 0.00 -0.61 0.00 0.00 39.78 38.79 1thj n ASN 147 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1thj s VAL 149 N -2.98 -0.51 -0.43 0.00 1.01 -0.66 -2.15 120.40 114.67 1thj s VAL 149 Ca 0.65 0.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.48 1thj s VAL 149 Cb -0.05 -0.70 0.04 0.00 0.00 0.00 0.00 36.38 35.66 1thj s VAL 149 CO 0.42 -0.08 0.34 -0.76 0.00 0.00 0.00 175.10 175.02 1thj s LEU 150 N 2.48 5.31 0.96 3.92 1.43 -0.22 -1.06 118.68 131.49 1thj s LEU 150 Ca 0.08 -1.07 -0.11 0.00 -1.03 0.00 0.00 54.13 51.99 1thj s LEU 150 Cb -0.15 -2.17 0.16 0.00 0.03 0.00 0.00 46.19 44.07 1thj s LEU 150 CO -0.13 -0.53 1.09 -1.61 0.23 0.00 0.00 176.35 175.40 1thj s GLU 151 N 1.66 0.75 0.10 1.70 2.02 -0.65 -0.08 118.70 124.21 1thj s GLU 151 Ca 0.05 1.03 -0.35 0.00 0.02 0.00 0.00 54.97 55.71 1thj s GLU 151 Cb -0.21 -1.73 -0.18 0.00 0.10 0.00 0.00 34.13 32.11 1thj s GLU 151 CO 0.09 -2.65 0.99 -2.30 0.02 0.00 0.00 175.26 171.40 1thj n PRO 152 N -4.19 0.40 -0.48 0.39 -0.02 -1.26 -0.84 135.00 129.00 1thj n PRO 152 Ca 0.07 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1thj n PRO 152 Cb 0.54 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 1thj n PRO 152 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1thj n ARG 153 N 1.52 0.00 -1.28 -0.52 5.12 -0.56 -2.32 116.66 118.63 1thj n ARG 153 Ca 0.18 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.81 1thj n ARG 153 Cb 0.17 -2.65 0.16 0.00 -1.16 0.00 0.00 32.46 28.98 1thj n ARG 153 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1thj s SER 154 N -3.06 2.97 -0.22 0.55 1.04 -0.02 -3.49 113.70 111.47 1thj s SER 154 Ca 0.00 1.16 -0.20 0.00 0.48 0.00 0.00 55.95 57.39 1thj s SER 154 Cb 0.00 -1.80 0.06 0.00 0.10 0.00 0.00 66.02 64.37 1thj s SER 154 CO 0.00 -2.91 0.58 0.00 0.98 0.00 0.00 173.24 171.88 1thj s ALA 155 N -3.05 -1.43 -0.16 5.32 0.00 -0.25 -2.44 121.76 119.76 1thj s ALA 155 Ca 0.65 1.64 0.00 0.00 0.00 0.00 0.00 51.96 54.25 1thj s ALA 155 Cb -0.17 -0.95 0.03 0.00 0.00 0.00 0.00 23.12 22.02 1thj s ALA 155 CO 0.56 -0.27 -0.14 0.00 0.00 0.00 0.00 175.76 175.91 1thj s ALA 156 N 0.35 1.89 -0.25 0.00 0.00 -0.43 0.43 121.76 123.74 1thj s ALA 156 Ca -0.00 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1thj s ALA 156 Cb -0.04 -1.09 0.07 0.00 0.00 0.00 0.00 23.12 22.06 1thj s ALA 156 CO 0.00 -0.45 -0.00 0.42 0.00 0.00 0.00 175.76 175.73 1thj s ILE 157 N 1.47 1.31 -0.81 0.00 1.01 0.01 -1.78 121.20 122.41 1thj s ILE 157 Ca 0.04 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.44 1thj s ILE 157 Cb -0.13 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.61 1thj s ILE 157 CO -0.10 -0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.17 1thj n GLY 158 N 4.73 0.39 3.53 6.18 0.00 -0.82 -4.43 105.19 114.77 1thj n GLY 158 Ca -0.08 -0.57 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 1thj n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1thj s VAL 159 N -2.39 1.04 -0.28 1.61 0.11 -1.25 -4.80 120.40 114.44 1thj s VAL 159 Ca 0.00 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 57.06 1thj s VAL 159 Cb 0.00 -2.56 0.08 0.00 -1.53 0.00 0.00 36.38 32.37 1thj s VAL 159 CO 0.00 0.00 0.01 -0.89 -3.33 0.00 0.00 175.10 170.89 1thj s THR 160 N -3.16 1.53 0.04 5.04 2.01 -1.26 -2.23 115.64 117.62 1thj s THR 160 Ca 0.27 -1.53 -0.30 0.00 0.31 0.00 0.00 61.69 60.44 1thj s THR 160 Cb 0.06 -1.97 -0.05 0.00 0.01 0.00 0.00 72.50 70.55 1thj s THR 160 CO 0.13 -0.37 1.11 -0.63 -0.69 0.00 0.00 174.62 174.18 1thj s ILE 161 N 1.34 4.33 0.85 1.82 1.09 -0.80 -4.74 121.20 125.08 1thj s ILE 161 Ca 0.02 1.69 -0.12 0.00 -1.10 0.00 0.00 60.65 61.15 1thj s ILE 161 Cb -0.18 -4.08 0.10 0.00 -1.06 0.00 0.00 42.46 37.23 1thj s ILE 161 CO -0.11 0.14 1.10 -2.84 -0.10 0.00 0.00 174.94 173.12 1thj s PRO 162 N 0.97 1.67 0.74 2.79 0.02 -1.26 -2.37 135.00 137.55 1thj s PRO 162 Ca 0.56 0.67 -0.15 0.00 0.02 0.00 0.00 61.00 62.10 1thj s PRO 162 Cb -0.26 -1.87 0.05 0.00 0.02 0.00 0.00 34.50 32.43 1thj s PRO 162 CO 0.29 -1.92 1.19 -0.51 -0.33 0.00 0.00 177.00 175.73 1thj s ASP 163 N -3.74 4.16 -0.17 2.53 1.11 -1.26 -3.34 116.67 115.96 1thj s ASP 163 Ca 0.62 2.31 0.00 0.00 0.18 0.00 0.00 52.55 55.66 1thj s ASP 163 Cb -0.16 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.25 1thj s ASP 163 CO 0.55 -2.28 0.00 0.61 1.18 0.00 0.00 175.17 175.23 1thj n GLY 164 N 0.29 0.29 4.00 0.21 0.00 -0.72 -4.96 105.19 104.30 1thj n GLY 164 Ca 0.13 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 1thj n GLY 164 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1thj s ARG 165 N -1.65 2.63 -0.05 1.61 1.81 -1.21 0.18 118.95 122.27 1thj s ARG 165 Ca 0.00 -1.19 -0.10 0.00 -1.72 0.00 0.00 55.73 52.72 1thj s ARG 165 Cb 0.00 -2.66 0.02 0.00 -0.45 0.00 0.00 34.95 31.86 1thj s ARG 165 CO 0.00 -0.51 0.23 1.52 -0.68 0.00 0.00 175.30 175.86 1thj s TYR 166 N -2.53 -0.18 -0.24 -0.53 -0.85 -1.01 -1.66 117.35 110.35 1thj s TYR 166 Ca 0.57 0.39 -0.07 0.00 -0.52 0.00 0.00 57.07 57.44 1thj s TYR 166 Cb -0.09 0.06 -0.03 0.00 0.38 0.00 0.00 41.96 42.28 1thj s TYR 166 CO 0.36 -0.22 0.07 0.42 -1.52 0.00 0.00 175.55 174.65 1thj s ILE 167 N -0.54 4.35 0.67 -3.49 1.01 -0.23 -4.07 121.20 118.90 1thj s ILE 167 Ca -0.06 -0.16 -0.17 0.00 0.00 0.00 0.00 60.65 60.25 1thj s ILE 167 Cb -0.04 -3.03 -0.00 0.00 0.01 0.00 0.00 42.46 39.40 1thj s ILE 167 CO 0.01 0.35 1.24 -2.65 0.00 0.00 0.00 174.94 173.89 1thj n PRO 168 N 4.82 0.95 -1.59 2.79 -0.02 -1.26 -1.63 135.00 139.05 1thj n PRO 168 Ca -0.16 0.38 -0.49 0.00 -2.02 0.00 0.00 63.50 61.21 1thj n PRO 168 Cb 0.51 -2.48 -0.05 0.00 -0.02 0.00 0.00 33.50 31.47 1thj n PRO 168 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1thj n ALA 169 N -2.11 -0.61 0.00 3.55 0.00 -1.26 -1.50 120.51 118.57 1thj n ALA 169 Ca 0.15 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1thj n ALA 169 Cb 0.48 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1thj n ALA 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1thj n GLY 170 N 2.26 2.98 3.69 0.00 0.00 -0.98 -4.84 105.19 108.29 1thj n GLY 170 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1thj n GLY 170 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1thj s MET 171 N 0.00 4.40 -0.60 1.61 0.00 -0.57 -4.78 119.30 119.36 1thj s MET 171 Ca 0.00 1.54 -0.13 0.00 0.00 0.00 0.00 55.69 57.10 1thj s MET 171 Cb 0.00 -3.54 0.15 0.00 0.00 0.00 0.00 34.83 31.44 1thj s MET 171 CO 0.00 -0.36 0.52 0.08 0.00 0.00 0.00 175.02 175.26 1thj s VAL 172 N 2.01 4.94 -0.12 10.11 1.01 -1.26 -1.08 120.40 136.00 1thj s VAL 172 Ca 0.52 -1.91 -0.26 0.00 0.00 0.00 0.00 61.98 60.33 1thj s VAL 172 Cb -0.22 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1thj s VAL 172 CO 0.21 -0.88 0.85 -0.69 0.00 0.00 0.00 175.10 174.58 1thj s VAL 173 N 1.07 4.90 -0.02 2.92 1.01 0.17 -4.92 120.40 125.53 1thj s VAL 173 Ca 0.08 1.71 0.02 0.00 0.00 0.00 0.00 61.98 63.79 1thj s VAL 173 Cb -0.24 -4.17 0.03 0.00 0.00 0.00 0.00 36.38 32.01 1thj s VAL 173 CO -0.01 0.08 0.82 0.35 0.00 0.00 0.00 175.10 176.34 1thj n THR 174 N 4.42 0.37 -3.85 3.92 -2.24 -1.26 -0.81 114.28 114.81 1thj n THR 174 Ca 0.04 -0.41 -0.12 0.00 -2.27 0.00 0.00 64.05 61.29 1thj n THR 174 Cb 0.50 0.61 -0.13 0.00 -2.10 0.00 0.00 70.33 69.21 1thj n THR 174 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1thj s SER 175 N -0.82 -0.06 0.33 3.42 1.04 -1.26 -4.85 113.70 111.50 1thj s SER 175 Ca 0.04 0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.58 1thj s SER 175 Cb 0.03 0.12 0.56 0.00 0.10 0.00 0.00 66.02 66.83 1thj s SER 175 CO 0.00 -0.03 1.96 -0.61 0.98 0.00 0.00 173.24 175.55 1thj h GLN 176 N 6.02 0.86 -0.20 4.02 5.75 -1.96 -0.61 115.11 128.99 1thj h GLN 176 Ca -0.25 -0.08 0.05 0.00 -0.15 0.00 0.00 58.65 58.23 1thj h GLN 176 Cb 1.21 -0.18 -0.07 0.00 1.07 0.00 0.00 27.48 29.51 1thj h GLN 176 CO 0.47 0.62 -0.34 0.00 -2.65 0.00 0.00 178.83 176.93 1thj h ALA 177 N 1.53 -0.37 -0.23 3.38 0.00 -1.99 0.38 119.26 121.96 1thj h ALA 177 Ca 0.22 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1thj h ALA 177 Cb -0.00 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1thj h ALA 177 CO -0.04 -0.80 0.15 0.93 0.00 0.00 0.00 179.25 179.48 1thj h GLU 178 N -0.38 0.29 -0.72 0.00 4.39 -1.80 -2.74 114.58 113.62 1thj h GLU 178 Ca 0.11 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.88 1thj h GLU 178 Cb 0.56 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.07 1thj h GLU 178 CO -0.40 0.19 0.38 0.00 -1.16 0.00 0.00 179.01 178.02 1thj h ALA 179 N 1.09 1.00 0.00 3.43 0.00 0.07 -0.37 119.26 124.48 1thj h ALA 179 Ca 0.09 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1thj h ALA 179 Cb -0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1thj h ALA 179 CO -0.03 0.00 -0.14 -0.44 0.00 0.00 0.00 179.25 178.64 1thj h ASP 180 N 0.66 0.00 -0.30 0.00 3.32 -0.01 -2.35 116.42 117.74 1thj h ASP 180 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1thj h ASP 180 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1thj h ASP 180 CO -0.25 0.14 0.00 0.29 -1.72 0.00 0.00 179.24 177.71 1thj n LYS 181 N -3.84 1.91 -1.88 3.56 5.02 -0.17 -4.96 118.16 117.81 1thj n LYS 181 Ca -0.02 -1.40 -0.37 0.00 -2.02 0.00 0.00 58.31 54.50 1thj n LYS 181 Cb 0.24 -1.37 0.04 0.00 -0.02 0.00 0.00 35.03 33.92 1thj n LYS 181 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1thj s LEU 182 N -1.31 3.70 0.78 -0.35 1.43 -0.89 -4.97 118.68 117.07 1thj s LEU 182 Ca 0.31 2.56 -0.13 0.00 -1.03 0.00 0.00 54.13 55.84 1thj s LEU 182 Cb 0.17 -4.50 0.07 0.00 0.03 0.00 0.00 46.19 41.95 1thj s LEU 182 CO 0.24 -1.69 1.17 -2.84 0.23 0.00 0.00 176.35 173.45 1thj s PRO 183 N -3.20 1.93 0.04 1.29 0.02 -1.26 -4.85 135.00 128.97 1thj s PRO 183 Ca 0.77 1.60 -0.11 0.00 0.02 0.00 0.00 61.00 63.27 1thj s PRO 183 Cb -0.35 -1.83 -0.06 0.00 0.02 0.00 0.00 34.50 32.28 1thj s PRO 183 CO 0.39 -1.96 0.39 -1.21 -0.33 0.00 0.00 177.00 174.28 1thj s GLU 184 N -4.24 3.80 -0.30 5.54 2.02 -1.26 -2.41 118.70 121.85 1thj s GLU 184 Ca 0.70 0.24 -0.29 0.00 0.02 0.00 0.00 54.97 55.64 1thj s GLU 184 Cb -0.25 -3.08 0.01 0.00 0.10 0.00 0.00 34.13 30.91 1thj s GLU 184 CO 0.49 0.61 1.15 0.08 0.02 0.00 0.00 175.26 177.62 1thj s VAL 185 N -1.27 4.40 0.41 2.63 1.01 0.13 -4.88 120.40 122.82 1thj s VAL 185 Ca 0.29 1.62 0.08 0.00 0.00 0.00 0.00 61.98 63.97 1thj s VAL 185 Cb -0.15 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 1thj s VAL 185 CO 0.16 -0.43 0.24 0.42 0.00 0.00 0.00 175.10 175.48 1thj s THR 186 N 3.80 2.49 0.17 3.92 -4.23 -1.26 -4.99 115.64 115.54 1thj s THR 186 Ca 0.49 -1.58 0.32 0.00 -1.18 0.00 0.00 61.69 59.74 1thj s THR 186 Cb -0.14 -3.00 0.32 0.00 1.34 0.00 0.00 72.50 71.02 1thj s THR 186 CO 0.17 -0.02 1.98 -0.78 -0.54 0.00 0.00 174.62 175.43 1thj h ASP 187 N 1.31 0.00 -0.09 3.99 1.82 -1.96 -0.12 116.42 121.36 1thj h ASP 187 Ca -0.42 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.22 1thj h ASP 187 Cb 1.26 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.27 1thj h ASP 187 CO 0.65 0.00 0.00 -0.90 -1.61 0.00 0.00 179.24 177.38 1thj n ASP 188 N -2.63 2.27 -4.76 2.28 5.75 -1.26 -4.91 116.55 113.28 1thj n ASP 188 Ca -0.02 -1.63 -0.41 0.00 -0.01 0.00 0.00 54.79 52.72 1thj n ASP 188 Cb 0.07 -0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 40.08 1thj n ASP 188 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1thj s TYR 189 N -1.05 3.09 0.21 2.11 5.04 -0.06 -4.92 117.35 121.78 1thj s TYR 189 Ca 0.17 1.31 -0.09 0.00 -2.44 0.00 0.00 57.07 56.03 1thj s TYR 189 Cb 0.11 -3.68 0.30 0.00 0.35 0.00 0.00 41.96 39.04 1thj s TYR 189 CO 0.16 -1.98 1.74 0.00 -1.34 0.00 0.00 175.55 174.13 1thj h ALA 190 N 4.06 0.80 -0.32 3.97 0.00 -1.92 -2.22 119.26 123.64 1thj h ALA 190 Ca -0.48 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1thj h ALA 190 Cb 1.22 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1thj h ALA 190 CO 0.70 -0.21 0.00 0.66 0.00 0.00 0.00 179.25 180.40 1thj n TYR 191 N -5.01 0.52 0.00 0.00 4.02 -1.26 -4.43 117.16 110.99 1thj n TYR 191 Ca 0.09 -0.24 0.23 0.00 -0.01 0.00 0.00 57.90 57.97 1thj n TYR 191 Cb 0.29 -0.05 0.72 0.00 -0.02 0.00 0.00 39.34 40.29 1thj n TYR 191 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1thj h SER 192 N 1.92 0.00 0.00 7.72 4.64 -1.66 -2.26 113.55 123.91 1thj h SER 192 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1thj h SER 192 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1thj h SER 192 CO 0.04 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.41 1thj n HIS 193 N -3.93 0.00 -0.29 4.77 8.25 -1.26 -4.79 115.22 117.97 1thj n HIS 193 Ca 0.11 -0.14 0.07 0.00 -0.26 0.00 0.00 57.72 57.50 1thj n HIS 193 Cb 0.73 -0.01 0.29 0.00 1.12 0.00 0.00 29.99 32.12 1thj n HIS 193 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1thj h THR 194 N 0.28 0.98 0.31 1.59 2.02 -1.68 -2.75 112.91 113.65 1thj h THR 194 Ca 0.00 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1thj h THR 194 Cb 0.25 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1thj h THR 194 CO 0.00 0.16 -0.15 -1.13 0.37 0.00 0.00 175.52 174.78 1thj h ASN 195 N 0.90 -0.35 -0.80 4.18 -1.24 -1.87 -1.62 115.58 114.79 1thj h ASN 195 Ca 0.41 -0.04 0.19 0.00 0.71 0.00 0.00 56.30 57.58 1thj h ASN 195 Cb 0.39 0.09 -0.13 0.00 0.73 0.00 0.00 38.32 39.40 1thj h ASN 195 CO -0.18 -0.18 0.12 -0.33 -1.29 0.00 0.00 177.43 175.57 1thj h GLU 196 N -0.49 0.17 0.31 6.67 5.08 -1.85 0.23 114.58 124.70 1thj h GLU 196 Ca -0.04 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1thj h GLU 196 Cb 0.37 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1thj h GLU 196 CO 0.07 0.11 -0.15 0.00 -1.00 0.00 0.00 179.01 178.04 1thj h ALA 197 N 1.72 -0.42 -0.50 3.43 0.00 -1.43 -1.17 119.26 120.89 1thj h ALA 197 Ca 0.46 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.27 1thj h ALA 197 Cb 0.86 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1thj h ALA 197 CO -0.63 -0.62 0.21 0.28 0.00 0.00 0.00 179.25 178.49 1thj h VAL 198 N -0.64 0.87 -0.05 0.00 2.07 -0.28 -0.82 116.25 117.40 1thj h VAL 198 Ca -0.04 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.36 1thj h VAL 198 Cb 0.46 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1thj h VAL 198 CO 0.07 0.07 -0.11 0.58 0.02 0.00 0.00 177.57 178.20 1thj h VAL 199 N 0.41 0.70 -0.06 2.57 2.07 -0.53 -0.21 116.25 121.21 1thj h VAL 199 Ca 0.24 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.79 1thj h VAL 199 Cb 0.22 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 1thj h VAL 199 CO -0.21 0.00 -0.33 0.22 0.02 0.00 0.00 177.57 177.27 1thj h TYR 200 N -0.17 -0.90 -0.07 1.57 3.20 -0.51 0.44 116.97 120.53 1thj h TYR 200 Ca 0.06 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.00 1thj h TYR 200 Cb 0.25 0.41 -0.05 0.00 1.54 0.00 0.00 36.73 38.88 1thj h TYR 200 CO -0.20 -0.41 -0.20 0.28 -1.64 0.00 0.00 178.16 175.99 1thj h VAL 201 N -0.45 0.50 -0.72 1.81 2.07 -0.80 -1.90 116.25 116.77 1thj h VAL 201 Ca 0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 1thj h VAL 201 Cb 0.56 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1thj h VAL 201 CO -0.31 0.00 0.37 0.78 0.02 0.00 0.00 177.57 178.43 1thj h ASN 202 N -0.29 0.91 -0.53 0.57 2.35 -0.62 0.34 115.58 118.31 1thj h ASN 202 Ca 0.08 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1thj h ASN 202 Cb 0.40 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1thj h ASN 202 CO -0.23 0.75 0.26 0.58 -1.65 0.00 0.00 177.43 177.14 1thj h VAL 203 N 1.02 1.20 -0.02 2.81 2.07 -0.69 0.34 116.25 122.98 1thj h VAL 203 Ca 0.25 -0.54 -0.11 0.00 0.82 0.00 0.00 66.70 67.12 1thj h VAL 203 Cb 0.06 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1thj h VAL 203 CO -0.04 0.22 -0.50 0.45 0.02 0.00 0.00 177.57 177.72 1thj h HIS 204 N 0.71 0.05 -0.16 1.57 3.86 -0.50 -2.59 115.15 118.09 1thj h HIS 204 Ca 0.18 -0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.26 1thj h HIS 204 Cb 0.11 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 1thj h HIS 204 CO -0.01 0.53 -0.40 -0.07 0.86 0.00 0.00 177.93 178.85 1thj h LEU 205 N 0.03 0.37 0.88 2.43 3.38 0.45 -1.70 115.31 121.15 1thj h LEU 205 Ca -0.00 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1thj h LEU 205 Cb 0.90 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.55 1thj h LEU 205 CO 0.07 0.74 -0.45 0.00 0.09 0.00 0.00 178.44 178.88 1thj h ALA 206 N 1.28 -1.32 -0.55 1.53 0.00 -0.55 -0.12 119.26 119.53 1thj h ALA 206 Ca 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1thj h ALA 206 Cb 0.84 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1thj h ALA 206 CO 0.07 -1.24 0.29 1.05 0.00 0.00 0.00 179.25 179.42 1thj h GLU 207 N -1.22 0.78 -0.73 0.00 4.11 -1.58 -2.08 114.58 113.87 1thj h GLU 207 Ca -0.12 -0.10 0.09 0.00 0.07 0.00 0.00 59.36 59.30 1thj h GLU 207 Cb 0.95 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.98 1thj h GLU 207 CO 0.18 0.61 0.38 0.78 0.07 0.00 0.00 179.01 181.03 1thj h GLY 208 N 0.74 1.10 2.00 1.06 0.00 -1.24 0.24 103.07 106.97 1thj h GLY 208 Ca 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1thj h GLY 208 CO -0.03 0.09 0.00 -0.97 0.00 0.00 0.00 176.54 175.63 1thj h TYR 209 N 0.66 0.00 0.00 5.60 0.05 -0.57 -3.12 116.97 119.59 1thj h TYR 209 Ca 0.35 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 59.05 1thj h TYR 209 Cb 0.33 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 1thj h TYR 209 CO -0.09 0.00 -0.38 0.87 -1.05 0.00 0.00 178.16 177.51 1thj h LYS 210 N 0.00 0.00 0.00 4.88 1.57 0.17 -3.31 116.57 119.88 1thj h LYS 210 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1thj h LYS 210 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1thj h LYS 210 CO 0.00 0.38 -0.01 0.93 -0.57 0.00 0.00 179.45 180.18 1thj h GLU 211 N 0.00 0.00 -0.00 3.15 3.07 -1.54 -3.51 114.58 115.74 1thj h GLU 211 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1thj h GLU 211 Cb 0.90 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.81 1thj h GLU 211 CO 0.05 0.00 0.00 2.41 -1.40 0.00 0.00 179.01 180.07