#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 3.45 -0.12 2.12 -0.21 -1.26 -5.10 119.66 118.54 1thj s GLN 1 Ca 0.00 -0.35 -0.02 0.00 0.02 0.00 0.00 55.36 55.02 1thj s GLN 1 Cb 0.00 -3.08 0.04 0.00 1.00 0.00 0.00 33.01 30.97 1thj s GLN 1 CO 0.00 0.65 -0.01 -2.00 -2.12 0.00 0.00 175.29 171.82 1thj s GLU 2 N -2.12 0.86 -0.13 2.91 2.12 -1.26 -5.13 118.70 115.95 1thj s GLU 2 Ca 0.30 -0.18 -0.11 0.00 0.36 0.00 0.00 54.97 55.34 1thj s GLU 2 Cb -0.13 -1.52 -0.05 0.00 0.26 0.00 0.00 34.13 32.69 1thj s GLU 2 CO 0.22 -0.41 0.23 0.42 -0.54 0.00 0.00 175.26 175.17 1thj s ILE 3 N 1.86 5.34 -0.11 -3.70 1.01 -1.26 -5.09 121.20 119.25 1thj s ILE 3 Ca 0.03 0.42 0.03 0.00 0.00 0.00 0.00 60.65 61.13 1thj s ILE 3 Cb -0.14 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1thj s ILE 3 CO -0.07 0.50 -0.23 -0.89 0.00 0.00 0.00 174.94 174.26 1thj s THR 4 N -0.29 2.13 -0.09 2.92 2.01 -1.26 -5.13 115.64 115.93 1thj s THR 4 Ca 0.16 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.18 1thj s THR 4 Cb -0.13 -1.83 -0.02 0.00 0.01 0.00 0.00 72.50 70.53 1thj s THR 4 CO 0.04 0.55 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.74 1thj s VAL 5 N 0.48 3.40 -0.25 3.82 1.01 -1.26 -5.09 120.40 122.51 1thj s VAL 5 Ca -0.15 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 1thj s VAL 5 Cb -0.17 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 1thj s VAL 5 CO 0.06 0.56 0.08 -0.62 0.00 0.00 0.00 175.10 175.18 1thj s ASP 6 N -0.34 5.21 0.12 3.32 -1.08 -1.26 -4.98 116.67 117.67 1thj s ASP 6 Ca 0.04 -0.18 0.27 0.00 -0.52 0.00 0.00 52.55 52.16 1thj s ASP 6 Cb -0.13 -1.94 0.98 0.00 -1.46 0.00 0.00 42.92 40.38 1thj s ASP 6 CO 0.02 -0.02 1.82 -0.62 0.52 0.00 0.00 175.17 176.89 1thj n GLU 7 N 4.85 0.14 -3.04 4.34 -0.58 -1.26 -4.29 120.64 120.81 1thj n GLU 7 Ca -0.16 0.15 -0.19 0.00 -0.42 0.00 0.00 57.16 56.54 1thj n GLU 7 Cb 0.51 -1.68 -0.02 0.00 -0.57 0.00 0.00 31.44 29.69 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 -1.93 1.12 0.68 -0.32 3.72 -1.26 -4.84 117.46 114.64 1thj n PHE 8 Ca 0.06 -3.66 0.09 0.00 -0.05 0.00 0.00 57.45 53.88 1thj n PHE 8 Cb 0.37 -0.41 0.40 0.00 -0.94 0.00 0.00 39.48 38.90 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 0.11 0.00 0.06 4.37 3.41 -1.26 -1.74 113.62 118.57 1thj n SER 9 Ca 0.24 0.39 0.12 0.00 -0.26 0.00 0.00 58.87 59.36 1thj n SER 9 Cb 0.64 -0.45 0.23 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.45 0.69 -3.82 4.04 6.94 -1.26 -4.08 115.26 116.31 1thj n ASN 10 Ca 0.05 0.19 -0.37 0.00 -0.02 0.00 0.00 54.58 54.43 1thj n ASN 10 Cb 0.20 -0.03 -0.02 0.00 -2.36 0.00 0.00 39.78 37.56 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 -2.09 4.23 -0.50 1.53 5.41 -0.71 -1.72 119.36 125.52 1thj n ILE 11 Ca 0.04 -5.65 0.00 0.00 1.00 0.00 0.00 62.75 58.14 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 1.24 0.46 -4.50 0.38 1.74 -0.93 -4.90 116.66 110.15 1thj n ARG 12 Ca 0.27 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 57.11 1thj n ARG 12 Cb 0.36 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.71 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 -1.54 1.86 0.57 5.56 -1.05 -1.26 -3.78 118.70 119.06 1thj s GLU 13 Ca 0.00 -2.11 -0.19 0.00 -0.15 0.00 0.00 54.97 52.52 1thj s GLU 13 Cb 0.00 -0.66 -0.04 0.00 -0.44 0.00 0.00 34.13 32.99 1thj s GLU 13 CO 0.00 -0.41 1.20 -0.80 0.95 0.00 0.00 175.26 176.20 1thj s ASN 14 N -3.57 5.35 0.46 0.83 0.01 -0.35 -4.27 114.94 113.39 1thj s ASN 14 Ca 0.27 2.36 0.06 0.00 -0.71 0.00 0.00 52.86 54.83 1thj s ASN 14 Cb 0.04 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.12 1thj s ASN 14 CO 0.14 -1.48 0.63 -2.16 -1.51 0.00 0.00 177.10 172.72 1thj s PRO 15 N -3.27 2.77 -0.20 -0.60 0.04 -1.26 -4.59 135.00 127.88 1thj s PRO 15 Ca 0.76 -1.06 -0.16 0.00 0.04 0.00 0.00 61.00 60.57 1thj s PRO 15 Cb -0.30 -2.68 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 1thj s PRO 15 CO 0.33 -0.38 0.39 0.08 0.04 0.00 0.00 177.00 177.46 1thj s VAL 16 N -2.47 5.20 0.26 -0.36 1.01 -1.26 -4.68 120.40 118.10 1thj s VAL 16 Ca 0.55 0.70 0.01 0.00 0.00 0.00 0.00 61.98 63.24 1thj s VAL 16 Cb -0.10 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 1thj s VAL 16 CO 0.35 0.25 0.10 0.42 0.00 0.00 0.00 175.10 176.21 1thj s THR 17 N 1.34 0.58 0.60 3.92 -4.23 0.99 -4.97 115.64 113.86 1thj s THR 17 Ca 0.19 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.99 1thj s THR 17 Cb -0.15 -2.64 0.36 0.00 1.34 0.00 0.00 72.50 71.41 1thj s THR 17 CO 0.08 0.00 2.08 -0.65 -0.54 0.00 0.00 174.62 175.59 1thj h PRO 18 N 2.37 0.00 -0.00 3.99 0.11 -1.97 0.83 132.00 137.32 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 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1thj h PRO 18 CO 0.61 0.00 -0.75 -2.67 -0.21 0.00 0.00 178.00 174.98 1thj n TRP 19 N -3.70 0.00 -3.53 0.65 2.14 -1.26 -4.39 117.44 107.35 1thj n TRP 19 Ca 0.02 0.00 -0.29 0.00 2.07 0.00 0.00 57.50 59.30 1thj n TRP 19 Cb 0.35 0.00 -0.12 0.00 -0.81 0.00 0.00 31.31 30.73 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 -2.60 2.98 0.30 -0.67 2.47 0.28 -4.91 114.94 112.78 1thj s ASN 20 Ca 0.10 -2.44 0.16 0.00 0.42 0.00 0.00 52.86 51.09 1thj s ASN 20 Cb 0.15 -0.59 0.23 0.00 -1.45 0.00 0.00 41.25 39.59 1thj s ASN 20 CO 0.69 -0.28 1.52 1.55 -3.72 0.00 0.00 177.10 176.86 1thj h PRO 21 N 6.74 0.00 -4.08 0.43 0.13 -1.85 0.28 132.00 133.65 1thj h PRO 21 Ca 0.07 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.62 1thj h PRO 21 Cb 0.95 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.69 1thj h PRO 21 CO 0.34 0.50 -0.78 -1.83 -0.23 0.00 0.00 178.00 176.01 1thj s GLU 22 N -3.12 1.28 0.38 0.86 4.04 -1.26 -4.92 118.70 115.96 1thj s GLU 22 Ca 0.03 -0.87 -0.26 0.00 0.04 0.00 0.00 54.97 53.90 1thj s GLU 22 Cb 0.09 -2.43 -0.11 0.00 0.02 0.00 0.00 34.13 31.69 1thj s GLU 22 CO 0.73 -0.65 1.13 -2.30 -1.84 0.00 0.00 175.26 172.33 1thj n PRO 23 N 4.77 1.67 -4.50 -4.83 -0.02 -1.26 -5.04 135.00 125.80 1thj n PRO 23 Ca -0.10 0.59 -0.24 0.00 -2.02 0.00 0.00 63.50 61.73 1thj n PRO 23 Cb 0.45 -2.15 -0.11 0.00 -0.02 0.00 0.00 33.50 31.67 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 -0.56 3.22 0.08 2.55 0.01 -1.26 -4.90 113.70 112.85 1thj s SER 24 Ca 0.60 -1.23 0.04 0.00 1.31 0.00 0.00 55.95 56.66 1thj s SER 24 Cb -0.58 -0.26 -0.03 0.00 0.21 0.00 0.00 66.02 65.37 1thj s SER 24 CO 0.59 -0.33 -0.10 0.00 0.41 0.00 0.00 173.24 173.81 1thj s ALA 25 N -2.85 1.03 0.22 1.44 0.00 -1.26 -1.21 121.76 119.14 1thj s ALA 25 Ca 0.32 -1.09 -0.32 0.00 0.00 0.00 0.00 51.96 50.88 1thj s ALA 25 Cb 0.04 0.01 -0.14 0.00 0.00 0.00 0.00 23.12 23.04 1thj s ALA 25 CO 0.15 0.00 1.42 -2.30 0.00 0.00 0.00 175.76 175.02 1thj n PRO 26 N 0.83 2.00 -3.59 0.00 -0.02 -0.84 -4.44 135.00 128.94 1thj n PRO 26 Ca -0.18 0.71 -0.41 0.00 -2.02 0.00 0.00 63.50 61.60 1thj n PRO 26 Cb 0.57 -2.37 -0.11 0.00 -0.02 0.00 0.00 33.50 31.56 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 0.06 4.57 -0.22 -1.45 1.01 0.30 -4.94 120.40 119.73 1thj s VAL 27 Ca 0.70 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1thj s VAL 27 Cb -0.67 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.18 1thj s VAL 27 CO 0.48 -0.26 -0.14 -0.63 0.00 0.00 0.00 175.10 174.56 1thj s ILE 28 N 1.55 2.30 0.32 2.22 1.01 -1.26 -1.30 121.20 126.03 1thj s ILE 28 Ca 0.02 -1.19 -0.28 0.00 0.00 0.00 0.00 60.65 59.20 1thj s ILE 28 Cb -0.19 -2.14 -0.13 0.00 0.01 0.00 0.00 42.46 40.00 1thj s ILE 28 CO 0.07 0.27 1.25 -0.67 0.00 0.00 0.00 174.94 175.86 1thj n ASP 29 N 4.57 2.50 -0.12 3.58 -0.08 -0.58 -4.84 116.55 121.57 1thj n ASP 29 Ca -0.18 1.20 0.25 0.00 -1.51 0.00 0.00 54.79 54.55 1thj n ASP 29 Cb 0.47 -1.44 0.70 0.00 2.34 0.00 0.00 41.12 43.19 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 2.65 0.02 0.00 -0.67 0.11 -1.91 -1.68 132.00 130.52 1thj h PRO 30 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1thj h PRO 30 Cb 1.29 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1thj h PRO 30 CO 0.64 0.01 -0.14 0.25 -0.21 0.00 0.00 178.00 178.55 1thj n THR 31 N -4.31 0.28 -2.28 -1.15 -2.24 -1.26 -4.87 114.28 98.44 1thj n THR 31 Ca 0.16 -0.15 -0.34 0.00 -2.27 0.00 0.00 64.05 61.45 1thj n THR 31 Cb 0.83 -0.40 -0.01 0.00 -2.10 0.00 0.00 70.33 68.66 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 2.76 -0.21 6.98 0.00 -0.63 -3.81 121.76 123.79 1thj s ALA 32 Ca 0.11 0.62 0.02 0.00 0.00 0.00 0.00 51.96 52.71 1thj s ALA 32 Cb 0.15 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 20.03 1thj s ALA 32 CO 0.60 -0.64 -0.14 -0.47 0.00 0.00 0.00 175.76 175.11 1thj s TYR 33 N -2.05 2.78 -0.45 0.00 5.04 -0.13 -4.91 117.35 117.64 1thj s TYR 33 Ca 0.68 -1.82 -0.11 0.00 -2.44 0.00 0.00 57.07 53.38 1thj s TYR 33 Cb -0.19 -1.82 0.09 0.00 0.35 0.00 0.00 41.96 40.39 1thj s TYR 33 CO 0.27 -0.80 0.32 0.42 -1.34 0.00 0.00 175.55 174.42 1thj s ILE 34 N 1.28 4.58 0.22 3.14 1.09 -1.26 -1.78 121.20 128.45 1thj s ILE 34 Ca -0.01 -1.36 -0.31 0.00 -1.10 0.00 0.00 60.65 57.87 1thj s ILE 34 Cb -0.16 -3.81 -0.15 0.00 -1.06 0.00 0.00 42.46 37.28 1thj s ILE 34 CO -0.09 -0.58 1.12 -0.67 -0.10 0.00 0.00 174.94 174.61 1thj n ASP 35 N 5.02 1.37 -0.03 3.58 -0.08 -0.67 -4.82 116.55 120.93 1thj n ASP 35 Ca -0.11 1.15 0.23 0.00 -1.51 0.00 0.00 54.79 54.56 1thj n ASP 35 Cb 0.43 -1.25 0.72 0.00 2.34 0.00 0.00 41.12 43.36 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 2.92 0.00 -0.59 -0.67 0.13 -1.95 -0.85 132.00 130.99 1thj h PRO 36 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 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 0.67 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.83 1thj n GLU 37 N -4.06 4.78 -2.97 0.86 1.02 -1.26 -4.84 120.64 114.17 1thj n GLU 37 Ca 0.12 -3.09 -0.19 0.00 -0.02 0.00 0.00 57.16 53.97 1thj n GLU 37 Cb 0.75 -2.24 0.05 0.00 -0.02 0.00 0.00 31.44 29.98 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 -2.68 4.54 -0.10 0.62 0.00 -0.32 -1.31 121.76 122.51 1thj s ALA 38 Ca 0.54 -1.92 -0.04 0.00 0.00 0.00 0.00 51.96 50.54 1thj s ALA 38 Cb 0.41 -1.59 0.05 0.00 0.00 0.00 0.00 23.12 21.99 1thj s ALA 38 CO 0.16 -0.72 0.18 0.45 0.00 0.00 0.00 175.76 175.84 1thj s SER 39 N -4.56 0.75 -0.16 0.00 0.15 -0.73 -4.84 113.70 104.31 1thj s SER 39 Ca 0.60 0.33 0.01 0.00 0.70 0.00 0.00 55.95 57.59 1thj s SER 39 Cb -0.07 0.35 0.02 0.00 -1.71 0.00 0.00 66.02 64.61 1thj s SER 39 CO 0.37 -0.25 -0.20 -0.69 1.20 0.00 0.00 173.24 173.68 1thj s VAL 40 N 2.32 1.97 0.01 4.45 1.01 -0.70 -1.02 120.40 128.43 1thj s VAL 40 Ca 0.03 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1thj s VAL 40 Cb -0.12 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 1thj s VAL 40 CO -0.07 0.53 -0.10 -0.63 0.00 0.00 0.00 175.10 174.83 1thj s ILE 41 N 1.15 0.76 0.00 2.22 1.01 -0.49 -2.18 121.20 123.68 1thj s ILE 41 Ca 0.01 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1thj s ILE 41 Cb -0.14 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.66 1thj s ILE 41 CO -0.09 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.56 1thj n GLY 42 N 2.52 -1.42 3.57 6.18 0.00 -1.25 -1.10 105.19 113.69 1thj n GLY 42 Ca -0.15 -1.29 -0.21 0.00 0.00 0.00 0.00 46.02 44.37 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 2.01 0.12 1.61 2.12 -1.19 -1.99 118.70 121.38 1thj s GLU 43 Ca 0.00 -0.27 0.07 0.00 0.36 0.00 0.00 54.97 55.13 1thj s GLU 43 Cb 0.00 -5.00 -0.04 0.00 0.26 0.00 0.00 34.13 29.35 1thj s GLU 43 CO 0.00 -4.20 -0.18 0.08 -0.54 0.00 0.00 175.26 170.42 1thj s VAL 44 N 12.90 1.57 -0.16 3.70 1.01 -1.26 -2.43 120.40 135.73 1thj s VAL 44 Ca 0.78 -1.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 1thj s VAL 44 Cb -0.07 -1.54 0.05 0.00 0.00 0.00 0.00 36.38 34.83 1thj s VAL 44 CO 0.08 -0.21 0.06 -0.89 0.00 0.00 0.00 175.10 174.14 1thj s THR 45 N -1.56 0.18 -0.09 3.92 2.01 -0.91 -0.54 115.64 118.65 1thj s THR 45 Ca 0.08 -0.23 -0.01 0.00 0.31 0.00 0.00 61.69 61.84 1thj s THR 45 Cb -0.08 -0.70 -0.03 0.00 0.01 0.00 0.00 72.50 71.70 1thj s THR 45 CO 0.04 -0.16 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.14 1thj s ILE 46 N 2.02 3.97 0.00 1.82 1.01 -0.42 -0.72 121.20 128.88 1thj s ILE 46 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1thj s ILE 46 Cb -0.16 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.65 1thj s ILE 46 CO -0.08 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.06 1thj n GLY 47 N 2.42 1.48 3.74 6.18 0.00 -0.53 -1.53 105.19 116.96 1thj n GLY 47 Ca -0.18 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.36 1thj n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1thj s ALA 48 N -2.29 3.83 -1.30 4.61 0.00 -1.26 -2.88 121.76 122.47 1thj s ALA 48 Ca 0.00 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1thj s ALA 48 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1thj s ALA 48 CO 0.00 -0.97 0.00 0.09 0.00 0.00 0.00 175.76 174.88 1thj n ASN 49 N 2.93 -5.00 -4.77 0.00 3.02 -1.25 -0.36 115.26 109.83 1thj n ASN 49 Ca 0.11 0.30 -0.40 0.00 -0.03 0.00 0.00 54.58 54.57 1thj n ASN 49 Cb 0.36 -3.58 -0.03 0.00 -0.61 0.00 0.00 39.78 35.93 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 -2.28 3.02 -0.41 2.41 1.01 -1.14 -4.56 120.40 118.45 1thj s VAL 50 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1thj s VAL 50 Cb 0.00 -3.62 0.11 0.00 0.00 0.00 0.00 36.38 32.87 1thj s VAL 50 CO 0.00 0.21 0.17 -0.32 0.00 0.00 0.00 175.10 175.16 1thj s MET 51 N -1.79 1.85 -0.47 2.72 1.75 -1.19 -0.96 119.30 121.22 1thj s MET 51 Ca 0.49 -1.94 -0.20 0.00 -1.25 0.00 0.00 55.69 52.79 1thj s MET 51 Cb -0.36 -3.45 0.04 0.00 2.84 0.00 0.00 34.83 33.90 1thj s MET 51 CO 0.47 -1.04 0.65 0.08 -0.65 0.00 0.00 175.02 174.53 1thj s VAL 52 N 0.88 4.83 0.94 10.11 1.01 -0.73 -2.07 120.40 135.36 1thj s VAL 52 Ca 0.10 -0.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.83 1thj s VAL 52 Cb -0.21 -4.25 0.16 0.00 0.00 0.00 0.00 36.38 32.08 1thj s VAL 52 CO -0.05 -0.69 1.20 -0.44 0.00 0.00 0.00 175.10 175.12 1thj s SER 53 N 2.28 3.27 0.61 3.32 0.01 0.35 -1.67 113.70 121.87 1thj s SER 53 Ca 0.20 0.65 -0.18 0.00 1.31 0.00 0.00 55.95 57.94 1thj s SER 53 Cb -0.16 -1.00 -0.05 0.00 0.21 0.00 0.00 66.02 65.03 1thj s SER 53 CO 0.16 -2.67 0.90 -2.65 0.41 0.00 0.00 173.24 169.40 1thj n PRO 54 N -3.79 0.80 -0.66 12.44 -0.02 -1.26 -2.67 135.00 139.83 1thj n PRO 54 Ca 0.11 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1thj n PRO 54 Cb 0.60 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 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 -0.98 -0.48 -1.61 -0.52 2.81 -0.42 -2.81 117.12 113.10 1thj n MET 55 Ca 0.14 0.12 -0.33 0.00 -1.81 0.00 0.00 57.70 55.82 1thj n MET 55 Cb 0.48 -4.47 0.06 0.00 -0.71 0.00 0.00 33.22 28.58 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 -1.19 2.37 -0.20 3.04 0.00 -1.09 -3.80 121.76 120.89 1thj s ALA 56 Ca 0.00 0.54 -0.04 0.00 0.00 0.00 0.00 51.96 52.46 1thj s ALA 56 Cb 0.00 -3.33 0.08 0.00 0.00 0.00 0.00 23.12 19.87 1thj s ALA 56 CO 0.00 -1.46 0.18 0.45 0.00 0.00 0.00 175.76 174.92 1thj s SER 57 N -2.64 1.80 -0.31 0.00 0.15 -0.28 -1.77 113.70 110.64 1thj s SER 57 Ca 0.67 -0.41 -0.05 0.00 0.70 0.00 0.00 55.95 56.86 1thj s SER 57 Cb -0.21 0.15 0.03 0.00 -1.71 0.00 0.00 66.02 64.28 1thj s SER 57 CO 0.45 -0.34 0.05 -0.63 1.20 0.00 0.00 173.24 173.96 1thj s ILE 58 N 2.25 3.50 -0.36 6.45 1.01 -0.19 -0.65 121.20 133.22 1thj s ILE 58 Ca 0.05 -1.07 0.00 0.00 0.00 0.00 0.00 60.65 59.64 1thj s ILE 58 Cb -0.16 -2.92 0.11 0.00 0.01 0.00 0.00 42.46 39.51 1thj s ILE 58 CO -0.13 -0.04 0.15 -0.60 0.00 0.00 0.00 174.94 174.32 1thj s ARG 59 N 1.38 0.93 -1.16 2.79 3.52 -0.97 -1.39 118.95 124.05 1thj s ARG 59 Ca -0.01 -1.44 -0.09 0.00 -0.13 0.00 0.00 55.73 54.06 1thj s ARG 59 Cb -0.19 -2.13 0.24 0.00 -1.56 0.00 0.00 34.95 31.31 1thj s ARG 59 CO 0.01 -1.05 1.42 0.45 -0.81 0.00 0.00 175.30 175.31 1thj n SER 60 N 4.34 5.60 0.00 -2.12 2.88 -0.26 -4.54 113.62 119.53 1thj n SER 60 Ca 0.02 -3.13 0.00 0.00 -1.33 0.00 0.00 58.87 54.44 1thj n SER 60 Cb 0.39 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 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 3.28 3.30 0.00 -3.46 5.75 -1.26 -3.19 116.55 120.97 1thj n ASP 61 Ca 0.30 -0.05 0.00 0.00 -0.01 0.00 0.00 54.79 55.04 1thj n ASP 61 Cb 0.38 0.76 0.00 0.00 -1.03 0.00 0.00 41.12 41.23 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 -1.09 0.00 -3.84 0.11 2.13 -1.26 -4.95 120.64 111.74 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 -0.37 -0.09 0.00 0.27 0.00 0.00 31.44 31.25 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 -2.54 1.97 0.09 8.31 0.00 -1.17 -3.95 107.32 110.04 1thj s GLY 63 Ca 0.00 -0.73 0.05 0.00 0.00 0.00 0.00 44.72 44.04 1thj s GLY 63 CO 0.00 0.13 -0.14 1.06 0.00 0.00 0.00 173.10 174.15 1thj s MET 64 N 0.43 0.91 0.48 2.90 -1.94 -1.26 -4.40 119.30 116.42 1thj s MET 64 Ca 0.06 -1.09 0.08 0.00 -1.71 0.00 0.00 55.69 53.03 1thj s MET 64 Cb -0.12 -0.85 0.03 0.00 2.01 0.00 0.00 34.83 35.90 1thj s MET 64 CO -0.01 0.18 0.58 -1.25 -0.01 0.00 0.00 175.02 174.51 1thj s PRO 65 N -2.20 2.56 -0.08 2.03 0.04 -1.26 -4.17 135.00 131.91 1thj s PRO 65 Ca 0.03 -1.49 0.02 0.00 0.04 0.00 0.00 61.00 59.60 1thj s PRO 65 Cb -0.07 -2.59 -0.02 0.00 0.04 0.00 0.00 34.50 31.86 1thj s PRO 65 CO 0.02 -0.46 -0.15 0.42 0.04 0.00 0.00 177.00 176.87 1thj s ILE 66 N -2.51 2.90 -0.06 0.56 1.01 -1.02 -0.87 121.20 121.21 1thj s ILE 66 Ca 0.54 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 60.46 1thj s ILE 66 Cb -0.07 -2.16 0.01 0.00 0.01 0.00 0.00 42.46 40.25 1thj s ILE 66 CO 0.33 0.56 -0.13 0.12 0.00 0.00 0.00 174.94 175.82 1thj s PHE 67 N -0.20 1.51 -0.25 3.97 2.19 -0.69 -2.13 117.98 122.38 1thj s PHE 67 Ca -0.00 -0.54 0.02 0.00 0.33 0.00 0.00 56.93 56.74 1thj s PHE 67 Cb -0.13 -1.09 0.06 0.00 -1.31 0.00 0.00 43.02 40.55 1thj s PHE 67 CO 0.03 -0.26 -0.06 0.08 1.83 0.00 0.00 175.22 176.84 1thj s VAL 68 N 0.55 1.77 1.34 3.12 1.01 0.10 -0.53 120.40 127.77 1thj s VAL 68 Ca -0.13 -1.42 -0.20 0.00 0.00 0.00 0.00 61.98 60.22 1thj s VAL 68 Cb -0.15 -2.00 0.34 0.00 0.00 0.00 0.00 36.38 34.56 1thj s VAL 68 CO 0.04 -0.11 0.98 -0.83 0.00 0.00 0.00 175.10 175.18 1thj s GLY 69 N 1.27 1.47 0.41 4.51 0.00 0.16 -1.46 107.32 113.68 1thj s GLY 69 Ca -0.06 -0.73 -0.26 0.00 0.00 0.00 0.00 44.72 43.68 1thj s GLY 69 CO -0.06 0.21 1.30 0.99 0.00 0.00 0.00 173.10 175.54 1thj s ASP 70 N -3.19 6.29 0.00 1.64 1.11 -1.26 -3.05 116.67 118.20 1thj s ASP 70 Ca 0.69 2.65 0.00 0.00 0.18 0.00 0.00 52.55 56.07 1thj s ASP 70 Cb -0.15 -2.64 0.00 0.00 1.07 0.00 0.00 42.92 41.21 1thj s ASP 70 CO 0.59 -0.86 0.00 0.54 1.18 0.00 0.00 175.17 176.61 1thj n ARG 71 N 0.10 -1.11 -2.00 8.23 1.74 0.51 -1.22 116.66 122.91 1thj n ARG 71 Ca 0.04 0.28 -0.29 0.00 -0.77 0.00 0.00 57.85 57.10 1thj n ARG 71 Cb 0.44 -4.47 0.18 0.00 -1.02 0.00 0.00 32.46 27.58 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 -2.06 3.25 -0.16 0.55 0.01 -1.17 -4.15 113.70 109.96 1thj s SER 72 Ca 0.00 0.21 -0.16 0.00 1.31 0.00 0.00 55.95 57.31 1thj s SER 72 Cb 0.00 -0.29 0.04 0.00 0.21 0.00 0.00 66.02 65.99 1thj s SER 72 CO 0.00 -2.64 0.44 0.54 0.41 0.00 0.00 173.24 171.99 1thj s ASN 73 N -4.87 -0.46 -0.35 2.44 2.20 -0.21 -3.18 114.94 110.50 1thj s ASN 73 Ca 0.73 0.89 -0.01 0.00 -0.94 0.00 0.00 52.86 53.53 1thj s ASN 73 Cb -0.04 0.90 0.08 0.00 -2.00 0.00 0.00 41.25 40.20 1thj s ASN 73 CO 0.52 -0.16 0.09 -0.69 -2.94 0.00 0.00 177.10 173.92 1thj s VAL 74 N 0.21 2.97 0.96 3.54 1.01 -0.88 -1.32 120.40 126.89 1thj s VAL 74 Ca -0.00 -1.85 -0.15 0.00 0.00 0.00 0.00 61.98 59.98 1thj s VAL 74 Cb -0.03 -2.93 0.22 0.00 0.00 0.00 0.00 36.38 33.64 1thj s VAL 74 CO 0.01 -0.44 1.30 0.00 0.00 0.00 0.00 175.10 175.97 1thj n GLN 75 N 4.54 -1.19 -1.62 2.72 6.02 -0.69 -0.50 117.38 126.67 1thj n GLN 75 Ca -0.06 -2.13 -0.46 0.00 -0.01 0.00 0.00 57.00 54.35 1thj n GLN 75 Cb 0.42 -1.30 -0.02 0.00 1.02 0.00 0.00 30.24 30.35 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 -3.77 1.82 0.00 1.08 9.92 -1.26 -2.06 116.55 122.28 1thj n ASP 76 Ca 0.17 1.16 0.00 0.00 -0.53 0.00 0.00 54.79 55.59 1thj n ASP 76 Cb 0.58 -1.32 0.00 0.00 -0.64 0.00 0.00 41.12 39.74 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 1.63 2.21 3.66 0.44 0.00 -1.12 -0.67 105.19 111.34 1thj n GLY 77 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.81 3.16 -4.39 1.61 0.31 -0.88 -4.61 118.33 111.72 1thj n VAL 78 Ca 0.00 -0.50 -0.20 0.00 -0.01 0.00 0.00 64.34 63.63 1thj n VAL 78 Cb 0.00 -1.37 -0.15 0.00 -0.91 0.00 0.00 33.84 31.41 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 -1.33 0.77 -0.02 2.52 1.01 -1.20 -1.13 120.40 121.02 1thj s VAL 79 Ca 0.68 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 62.33 1thj s VAL 79 Cb -0.47 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 1thj s VAL 79 CO 0.52 0.23 -0.16 -0.76 0.00 0.00 0.00 175.10 174.93 1thj s LEU 80 N 0.04 1.98 0.10 3.92 1.43 0.18 -1.81 118.68 124.52 1thj s LEU 80 Ca -0.01 -0.31 -0.26 0.00 -1.03 0.00 0.00 54.13 52.53 1thj s LEU 80 Cb -0.07 -0.87 0.08 0.00 0.03 0.00 0.00 46.19 45.36 1thj s LEU 80 CO 0.00 0.18 0.89 -2.28 0.23 0.00 0.00 176.35 175.37 1thj s HIS 81 N -0.23 -0.25 0.17 0.29 2.46 -1.16 -2.29 115.29 114.29 1thj s HIS 81 Ca 0.03 0.00 -0.09 0.00 0.47 0.00 0.00 55.06 55.47 1thj s HIS 81 Cb -0.08 0.60 -0.01 0.00 -0.13 0.00 0.00 32.58 32.96 1thj s HIS 81 CO 0.00 -0.75 0.29 0.00 -2.47 0.00 0.00 174.74 171.81 1thj s ALA 82 N -3.30 0.07 0.24 1.58 0.00 -1.26 0.34 121.76 119.44 1thj s ALA 82 Ca 0.09 -0.95 -0.15 0.00 0.00 0.00 0.00 51.96 50.95 1thj s ALA 82 Cb -0.01 0.91 -0.08 0.00 0.00 0.00 0.00 23.12 23.94 1thj s ALA 82 CO -0.03 -0.66 0.66 -0.51 0.00 0.00 0.00 175.76 175.22 1thj s LEU 83 N -2.99 4.21 -0.43 0.00 1.43 -1.16 -3.03 118.68 116.71 1thj s LEU 83 Ca 0.19 1.20 -0.39 0.00 -1.03 0.00 0.00 54.13 54.10 1thj s LEU 83 Cb 0.03 -3.71 -0.17 0.00 0.03 0.00 0.00 46.19 42.38 1thj s LEU 83 CO 0.02 -0.05 1.75 1.21 0.23 0.00 0.00 176.35 179.50 1thj n GLU 84 N 0.20 0.00 0.06 1.70 2.13 -1.26 -3.82 120.64 119.64 1thj n GLU 84 Ca -0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.93 1thj n GLU 84 Cb 0.52 -1.30 0.15 0.00 0.27 0.00 0.00 31.44 31.08 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 5.13 0.33 -4.21 6.31 -2.24 -1.25 -4.71 114.28 113.63 1thj n THR 85 Ca 0.43 -0.27 -0.17 0.00 -2.27 0.00 0.00 64.05 61.77 1thj n THR 85 Cb -0.04 -0.09 -0.13 0.00 -2.10 0.00 0.00 70.33 67.98 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 -3.17 0.72 0.67 2.28 -1.09 -1.26 -0.78 121.20 118.57 1thj s ILE 86 Ca 0.06 -0.79 0.03 0.00 -2.23 0.00 0.00 60.65 57.72 1thj s ILE 86 Cb 0.13 -0.69 0.13 0.00 -1.58 0.00 0.00 42.46 40.45 1thj s ILE 86 CO 0.73 -0.08 0.92 -0.46 -1.23 0.00 0.00 174.94 174.82 1thj n ASN 87 N 2.08 1.59 0.00 3.58 0.23 -0.49 -4.86 115.26 117.40 1thj n ASN 87 Ca -0.18 -2.26 0.06 0.00 -0.53 0.00 0.00 54.58 51.68 1thj n ASN 87 Cb 0.56 -0.56 0.38 0.00 -2.08 0.00 0.00 39.78 38.08 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 -2.62 0.53 -0.02 -3.83 0.28 -1.26 -2.04 120.64 111.68 1thj n GLU 88 Ca 0.16 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.23 1thj n GLU 88 Cb 0.58 -1.38 0.07 0.00 1.43 0.00 0.00 31.44 32.14 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 -0.88 1.06 -0.84 3.44 4.71 -1.26 -4.89 120.64 121.98 1thj n GLU 89 Ca 0.10 -1.39 0.00 0.00 -0.01 0.00 0.00 57.16 55.86 1thj n GLU 89 Cb 0.04 -1.27 0.00 0.00 -1.01 0.00 0.00 31.44 29.21 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 0.76 0.49 3.71 0.62 0.00 -0.86 -5.04 105.19 104.87 1thj n GLY 90 Ca 0.08 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.48 4.27 0.28 1.61 0.41 -1.26 -4.87 118.70 117.67 1thj s GLU 91 Ca 0.00 0.28 -0.29 0.00 -0.41 0.00 0.00 54.97 54.55 1thj s GLU 91 Cb 0.00 -3.46 -0.10 0.00 -1.78 0.00 0.00 34.13 28.79 1thj s GLU 91 CO 0.00 0.12 1.41 -2.14 -0.49 0.00 0.00 175.26 174.17 1thj s PRO 92 N 0.78 4.27 -1.09 0.39 0.02 -1.26 -1.39 135.00 136.71 1thj s PRO 92 Ca 0.21 2.31 -0.12 0.00 0.02 0.00 0.00 61.00 63.43 1thj s PRO 92 Cb -0.14 -3.08 0.23 0.00 0.02 0.00 0.00 34.50 31.52 1thj s PRO 92 CO 0.08 -0.38 1.17 0.42 -0.33 0.00 0.00 177.00 177.96 1thj s ILE 93 N -0.40 5.56 0.30 2.83 1.01 0.04 -4.88 121.20 125.66 1thj s ILE 93 Ca 0.56 -2.93 0.03 0.00 0.00 0.00 0.00 60.65 58.32 1thj s ILE 93 Cb -0.42 -4.70 0.40 0.00 0.01 0.00 0.00 42.46 37.75 1thj s ILE 93 CO 0.48 -1.33 1.50 -0.62 0.00 0.00 0.00 174.94 174.97 1thj n GLU 94 N 4.06 -0.07 -0.28 2.79 -0.58 -1.26 -1.40 120.64 123.89 1thj n GLU 94 Ca 0.27 1.42 0.24 0.00 -0.42 0.00 0.00 57.16 58.67 1thj n GLU 94 Cb 0.42 -2.28 0.57 0.00 -0.57 0.00 0.00 31.44 29.59 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 0.31 -0.65 1.62 3.32 -1.97 -1.87 116.42 117.18 1thj h ASP 95 Ca 0.60 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.69 1thj h ASP 95 Cb 1.26 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1thj h ASP 95 CO -0.89 0.08 0.00 0.59 -1.72 0.00 0.00 179.24 177.31 1thj n ASN 96 N -4.48 3.80 -4.50 6.45 3.02 -0.49 -4.88 115.26 114.18 1thj n ASN 96 Ca 0.23 -2.11 -0.33 0.00 -0.03 0.00 0.00 54.58 52.33 1thj n ASN 96 Cb 0.90 -0.48 -0.12 0.00 -0.61 0.00 0.00 39.78 39.47 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 -1.31 3.49 0.05 2.41 1.01 -0.71 -4.27 121.20 121.87 1thj s ILE 97 Ca 0.45 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.63 1thj s ILE 97 Cb 0.25 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 1thj s ILE 97 CO 0.28 0.56 -0.13 0.54 0.00 0.00 0.00 174.94 176.19 1thj s VAL 98 N -0.32 3.16 -0.15 2.92 0.11 -0.38 -4.94 120.40 120.80 1thj s VAL 98 Ca 0.04 -1.11 0.01 0.00 -2.93 0.00 0.00 61.98 57.99 1thj s VAL 98 Cb -0.13 -2.39 0.00 0.00 -1.53 0.00 0.00 36.38 32.34 1thj s VAL 98 CO 0.02 0.29 -0.17 -0.70 -3.33 0.00 0.00 175.10 171.21 1thj s GLU 99 N -1.65 3.16 -0.20 1.54 2.12 -1.26 -0.46 118.70 121.94 1thj s GLU 99 Ca 0.17 -0.78 -0.01 0.00 0.36 0.00 0.00 54.97 54.71 1thj s GLU 99 Cb -0.11 -2.55 0.05 0.00 0.26 0.00 0.00 34.13 31.78 1thj s GLU 99 CO 0.08 0.03 -0.03 0.08 -0.54 0.00 0.00 175.26 174.88 1thj s VAL 100 N 0.76 1.12 -1.28 3.70 1.01 0.01 -4.80 120.40 120.92 1thj s VAL 100 Ca -0.07 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 1thj s VAL 100 Cb -0.16 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.80 1thj s VAL 100 CO 0.00 -0.07 1.01 0.47 0.00 0.00 0.00 175.10 176.51 1thj n ASP 101 N 4.84 -3.26 0.00 3.32 8.00 -1.26 -2.12 116.55 126.07 1thj n ASP 101 Ca -0.11 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.75 1thj n ASP 101 Cb 0.46 -4.87 0.00 0.00 -0.02 0.00 0.00 41.12 36.69 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 -1.47 1.15 3.65 0.44 0.00 -1.26 -4.99 105.19 102.71 1thj n GLY 102 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.15 2.73 0.13 1.61 3.01 -0.90 -5.11 119.74 121.06 1thj s LYS 103 Ca 0.00 -0.63 -0.09 0.00 -1.01 0.00 0.00 55.97 54.24 1thj s LYS 103 Cb 0.00 -2.63 -0.06 0.00 -1.01 0.00 0.00 37.83 34.13 1thj s LYS 103 CO 0.00 0.63 0.44 -1.21 0.51 0.00 0.00 175.35 175.71 1thj s GLU 104 N -1.43 3.75 0.10 1.68 2.02 -1.26 -0.81 118.70 122.74 1thj s GLU 104 Ca 0.18 0.16 -0.11 0.00 0.02 0.00 0.00 54.97 55.22 1thj s GLU 104 Cb -0.11 -2.89 0.01 0.00 0.10 0.00 0.00 34.13 31.24 1thj s GLU 104 CO 0.08 0.48 0.26 0.71 0.02 0.00 0.00 175.26 176.82 1thj s TYR 105 N -1.55 0.02 -0.15 1.61 1.51 0.39 -4.79 117.35 114.39 1thj s TYR 105 Ca 0.38 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 56.07 1thj s TYR 105 Cb -0.13 0.05 -0.23 0.00 -0.11 0.00 0.00 41.96 41.54 1thj s TYR 105 CO 0.20 -0.59 0.23 0.00 -1.11 0.00 0.00 175.55 174.29 1thj n ALA 106 N -0.05 1.22 -3.74 3.71 0.00 -0.05 -1.25 120.51 120.35 1thj n ALA 106 Ca -0.16 -0.85 -0.14 0.00 0.00 0.00 0.00 53.44 52.29 1thj n ALA 106 Cb 0.63 -0.50 -0.15 0.00 0.00 0.00 0.00 19.45 19.43 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 -2.55 -0.05 -0.15 0.00 1.01 -0.98 -2.83 120.40 114.84 1thj s VAL 107 Ca -0.21 0.19 -0.00 0.00 0.00 0.00 0.00 61.98 61.96 1thj s VAL 107 Cb 0.07 -0.17 0.03 0.00 0.00 0.00 0.00 36.38 36.32 1thj s VAL 107 CO 0.74 0.08 -0.07 -0.47 0.00 0.00 0.00 175.10 175.38 1thj s TYR 108 N 1.11 1.70 -0.23 5.22 6.14 -0.84 -1.70 117.35 128.75 1thj s TYR 108 Ca -0.09 -1.01 -0.04 0.00 0.64 0.00 0.00 57.07 56.58 1thj s TYR 108 Cb -0.12 -1.32 0.00 0.00 0.42 0.00 0.00 41.96 40.94 1thj s TYR 108 CO -0.05 -0.59 -0.04 0.42 0.64 0.00 0.00 175.55 175.93 1thj s ILE 109 N 1.64 3.28 0.00 3.14 1.09 0.31 -0.82 121.20 129.84 1thj s ILE 109 Ca 0.02 -0.65 0.00 0.00 -1.10 0.00 0.00 60.65 58.92 1thj s ILE 109 Cb -0.14 -2.55 0.00 0.00 -1.06 0.00 0.00 42.46 38.71 1thj s ILE 109 CO -0.08 0.34 0.00 0.61 -0.10 0.00 0.00 174.94 175.71 1thj n GLY 110 N 4.77 -1.90 3.87 6.18 0.00 -0.42 0.36 105.19 118.06 1thj n GLY 110 Ca -0.17 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.46 6.63 -1.45 1.61 0.01 -1.26 -2.95 114.94 116.06 1thj s ASN 111 Ca 0.00 0.94 -0.09 0.00 -0.71 0.00 0.00 52.86 53.00 1thj s ASN 111 Cb 0.00 -2.23 0.03 0.00 0.41 0.00 0.00 41.25 39.46 1thj s ASN 111 CO 0.00 -0.10 0.91 0.59 -1.51 0.00 0.00 177.10 176.99 1thj n ASN 112 N -0.21 -5.69 -4.69 -1.22 3.02 -0.36 -1.77 115.26 104.35 1thj n ASN 112 Ca 0.01 -0.51 -0.35 0.00 -0.03 0.00 0.00 54.58 53.69 1thj n ASN 112 Cb 0.53 -4.54 -0.09 0.00 -0.61 0.00 0.00 39.78 35.07 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 -3.24 4.51 -0.21 2.41 1.01 -1.26 -2.80 120.40 120.82 1thj s VAL 113 Ca 0.51 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.29 1thj s VAL 113 Cb -0.24 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 1thj s VAL 113 CO 0.63 0.58 -0.03 -0.44 0.00 0.00 0.00 175.10 175.84 1thj s SER 114 N -0.63 4.41 -0.87 3.32 0.01 -0.80 -1.05 113.70 118.10 1thj s SER 114 Ca 0.11 -0.35 -0.05 0.00 1.31 0.00 0.00 55.95 56.97 1thj s SER 114 Cb -0.12 -1.76 0.22 0.00 0.21 0.00 0.00 66.02 64.57 1thj s SER 114 CO 0.02 0.00 0.76 -0.76 0.41 0.00 0.00 173.24 173.68 1thj s LEU 115 N 1.36 5.81 1.05 2.44 1.43 -0.43 0.32 118.68 130.66 1thj s LEU 115 Ca 0.04 -3.36 -0.12 0.00 -1.03 0.00 0.00 54.13 49.67 1thj s LEU 115 Cb -0.14 -2.00 0.20 0.00 0.03 0.00 0.00 46.19 44.28 1thj s LEU 115 CO -0.02 -0.30 0.98 0.00 0.23 0.00 0.00 176.35 177.24 1thj n ALA 116 N 2.89 -2.07 -1.45 4.21 0.00 -0.20 -1.70 120.51 122.19 1thj n ALA 116 Ca 0.18 -0.89 -0.57 0.00 0.00 0.00 0.00 53.44 52.16 1thj n ALA 116 Cb 0.39 -2.05 -0.08 0.00 0.00 0.00 0.00 19.45 17.72 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 -4.56 1.02 -0.52 0.00 8.25 -1.26 -0.90 115.22 117.24 1thj n HIS 117 Ca 0.07 0.99 0.00 0.00 -0.26 0.00 0.00 57.72 58.52 1thj n HIS 117 Cb 0.54 -1.93 0.00 0.00 1.12 0.00 0.00 29.99 29.71 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 2.34 0.00 -0.66 -0.41 6.02 0.16 -1.48 117.38 123.34 1thj n GLN 118 Ca 0.22 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.92 1thj n GLN 118 Cb 0.02 -3.13 0.26 0.00 1.02 0.00 0.00 30.24 28.41 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 -2.74 0.09 -0.14 1.08 1.04 -0.08 -4.17 113.70 108.78 1thj s SER 119 Ca 0.00 0.93 -0.20 0.00 0.48 0.00 0.00 55.95 57.16 1thj s SER 119 Cb 0.00 -1.36 0.05 0.00 0.10 0.00 0.00 66.02 64.81 1thj s SER 119 CO 0.00 -4.67 0.52 -1.58 0.98 0.00 0.00 173.24 168.49 1thj s GLN 120 N -5.04 0.71 -0.05 4.02 0.74 -0.94 -3.26 119.66 115.83 1thj s GLN 120 Ca 0.69 0.49 -0.00 0.00 0.05 0.00 0.00 55.36 56.59 1thj s GLN 120 Cb -0.15 0.34 0.03 0.00 1.10 0.00 0.00 33.01 34.33 1thj s GLN 120 CO 0.59 -0.14 -0.02 0.08 -0.55 0.00 0.00 175.29 175.25 1thj s VAL 121 N -0.28 0.41 -0.08 1.34 1.01 -0.75 -2.33 120.40 119.72 1thj s VAL 121 Ca -0.04 0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.98 1thj s VAL 121 Cb -0.03 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.85 1thj s VAL 121 CO 0.03 0.23 -0.19 -2.28 0.00 0.00 0.00 175.10 172.89 1thj s HIS 122 N 1.37 2.05 0.61 5.22 5.04 -0.34 -2.99 115.29 126.24 1thj s HIS 122 Ca -0.04 -0.78 -0.17 0.00 -1.54 0.00 0.00 55.06 52.52 1thj s HIS 122 Cb -0.13 -1.40 -0.03 0.00 0.04 0.00 0.00 32.58 31.05 1thj s HIS 122 CO -0.02 -0.33 1.13 0.20 -2.34 0.00 0.00 174.74 173.37 1thj s GLY 123 N 0.41 2.41 0.30 1.59 0.00 0.15 -3.38 107.32 108.81 1thj s GLY 123 Ca -0.15 0.71 -0.29 0.00 0.00 0.00 0.00 44.72 44.99 1thj s GLY 123 CO 0.06 1.07 1.17 -4.14 0.00 0.00 0.00 173.10 171.26 1thj s PRO 124 N -3.68 4.51 -0.04 2.90 0.02 -1.26 -3.01 135.00 134.45 1thj s PRO 124 Ca 0.70 1.94 -0.29 0.00 0.02 0.00 0.00 61.00 63.37 1thj s PRO 124 Cb -0.23 -3.12 0.11 0.00 0.02 0.00 0.00 34.50 31.28 1thj s PRO 124 CO 0.35 0.05 0.89 0.00 -0.33 0.00 0.00 177.00 177.96 1thj s ALA 125 N -1.17 -1.84 -0.14 -1.55 0.00 -1.13 -0.94 121.76 114.99 1thj s ALA 125 Ca 0.47 1.15 -0.12 0.00 0.00 0.00 0.00 51.96 53.45 1thj s ALA 125 Cb -0.34 0.15 0.04 0.00 0.00 0.00 0.00 23.12 22.96 1thj s ALA 125 CO 0.45 -0.58 0.37 0.00 0.00 0.00 0.00 175.76 175.99 1thj s ALA 126 N -2.56 -0.91 -0.15 0.00 0.00 -1.11 -1.99 121.76 115.04 1thj s ALA 126 Ca 0.02 1.08 -0.03 0.00 0.00 0.00 0.00 51.96 53.03 1thj s ALA 126 Cb -0.01 -0.63 0.05 0.00 0.00 0.00 0.00 23.12 22.53 1thj s ALA 126 CO -0.06 -0.18 0.03 0.08 0.00 0.00 0.00 175.76 175.64 1thj s VAL 127 N 0.31 0.37 1.12 0.00 1.01 -0.00 -0.69 120.40 122.52 1thj s VAL 127 Ca -0.01 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.58 1thj s VAL 127 Cb -0.03 -0.78 0.25 0.00 0.00 0.00 0.00 36.38 35.82 1thj s VAL 127 CO -0.01 -0.06 1.05 -0.83 0.00 0.00 0.00 175.10 175.25 1thj s GLY 128 N 1.94 1.54 0.76 4.51 0.00 -0.08 -1.29 107.32 114.70 1thj s GLY 128 Ca 0.02 -0.31 -0.15 0.00 0.00 0.00 0.00 44.72 44.28 1thj s GLY 128 CO -0.07 0.40 1.18 1.22 0.00 0.00 0.00 173.10 175.82 1thj n ASP 129 N -4.66 1.15 -3.29 1.64 8.00 -1.26 -3.38 116.55 114.74 1thj n ASP 129 Ca 0.04 0.65 -0.23 0.00 0.71 0.00 0.00 54.79 55.96 1thj n ASP 129 Cb 0.56 -1.50 0.01 0.00 -0.02 0.00 0.00 41.12 40.17 1thj n ASP 129 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1thj n ASP 130 N -2.68 -4.71 -4.67 -2.24 8.00 -0.73 -1.78 116.55 107.73 1thj n ASP 130 Ca 0.14 -0.39 -0.30 0.00 0.71 0.00 0.00 54.79 54.95 1thj n ASP 130 Cb 0.50 -3.84 -0.08 0.00 -0.02 0.00 0.00 41.12 37.67 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 -3.05 3.95 -0.33 -3.53 2.01 -1.22 -3.33 115.64 110.15 1thj s THR 131 Ca 0.39 -0.99 -0.01 0.00 0.31 0.00 0.00 61.69 61.40 1thj s THR 131 Cb -0.19 -2.87 0.07 0.00 0.01 0.00 0.00 72.50 69.52 1thj s THR 131 CO 0.48 0.14 0.04 0.12 -0.69 0.00 0.00 174.62 174.72 1thj s PHE 132 N -1.28 3.43 -0.81 4.92 5.36 -0.98 -1.90 117.98 126.71 1thj s PHE 132 Ca 0.25 -2.24 -0.21 0.00 -0.96 0.00 0.00 56.93 53.76 1thj s PHE 132 Cb -0.12 -2.49 0.09 0.00 -0.34 0.00 0.00 43.02 40.16 1thj s PHE 132 CO 0.17 -0.88 1.10 0.42 -1.46 0.00 0.00 175.22 174.57 1thj s ILE 133 N 1.15 4.41 1.04 3.12 -1.09 0.15 -1.24 121.20 128.74 1thj s ILE 133 Ca 0.00 -0.85 -0.14 0.00 -2.23 0.00 0.00 60.65 57.44 1thj s ILE 133 Cb -0.20 -4.78 0.14 0.00 -1.58 0.00 0.00 42.46 36.04 1thj s ILE 133 CO -0.03 -1.55 0.61 0.61 -1.23 0.00 0.00 174.94 173.34 1thj n GLY 134 N 5.58 -1.78 3.59 6.18 0.00 0.69 -1.03 105.19 118.42 1thj n GLY 134 Ca 0.12 -0.85 -0.50 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.13 1.23 -0.87 1.61 2.81 -1.26 -0.91 117.12 116.60 1thj n MET 135 Ca 0.05 0.44 0.00 0.00 -1.81 0.00 0.00 57.70 56.39 1thj n MET 135 Cb 0.56 -2.03 0.00 0.00 -0.71 0.00 0.00 33.22 31.04 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 2.21 -0.96 -0.69 0.03 6.02 -0.55 -1.36 117.38 122.09 1thj n GLN 136 Ca 0.17 0.24 -0.29 0.00 -0.01 0.00 0.00 57.00 57.11 1thj n GLN 136 Cb 0.22 -4.30 0.25 0.00 1.02 0.00 0.00 30.24 27.43 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 -1.44 -0.20 -0.15 -1.58 0.00 -0.09 -4.36 121.76 113.94 1thj s ALA 137 Ca 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 51.96 51.36 1thj s ALA 137 Cb 0.00 -3.08 0.05 0.00 0.00 0.00 0.00 23.12 20.09 1thj s ALA 137 CO 0.00 -3.88 0.38 0.12 0.00 0.00 0.00 175.76 172.38 1thj s PHE 138 N -2.58 -0.50 -0.06 0.00 5.36 -1.07 -2.22 117.98 116.91 1thj s PHE 138 Ca 0.68 1.13 -0.00 0.00 -0.96 0.00 0.00 56.93 57.78 1thj s PHE 138 Cb -0.18 0.20 0.03 0.00 -0.34 0.00 0.00 43.02 42.72 1thj s PHE 138 CO 0.60 -0.28 -0.01 0.08 -1.46 0.00 0.00 175.22 174.15 1thj s VAL 139 N 1.02 0.37 -0.10 3.12 1.01 -0.98 -1.11 120.40 123.73 1thj s VAL 139 Ca -0.07 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 1thj s VAL 139 Cb -0.07 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 35.85 1thj s VAL 139 CO -0.08 0.23 0.26 0.12 0.00 0.00 0.00 175.10 175.63 1thj s PHE 140 N 1.57 -0.29 -1.51 5.22 5.36 -0.79 -1.19 117.98 126.34 1thj s PHE 140 Ca -0.01 0.69 -0.17 0.00 -0.96 0.00 0.00 56.93 56.48 1thj s PHE 140 Cb -0.13 0.10 0.16 0.00 -0.34 0.00 0.00 43.02 42.81 1thj s PHE 140 CO -0.03 -0.14 0.57 1.63 -1.46 0.00 0.00 175.22 175.78 1thj n LYS 141 N 2.90 -2.14 -4.47 10.12 5.02 -0.11 -1.81 118.16 127.67 1thj n LYS 141 Ca -0.13 0.25 -0.24 0.00 -2.02 0.00 0.00 58.31 56.16 1thj n LYS 141 Cb 0.58 -4.88 -0.08 0.00 -0.02 0.00 0.00 35.03 30.62 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 -3.02 2.55 -0.31 4.39 0.01 -1.16 -2.17 113.70 113.99 1thj s SER 142 Ca 0.64 -1.67 -0.03 0.00 1.31 0.00 0.00 55.95 56.20 1thj s SER 142 Cb -0.36 0.50 0.11 0.00 0.21 0.00 0.00 66.02 66.47 1thj s SER 142 CO 0.79 -0.94 0.14 -0.75 0.41 0.00 0.00 173.24 172.89 1thj s LYS 143 N -3.69 0.37 -0.09 12.44 2.20 -0.99 -2.74 119.74 127.23 1thj s LYS 143 Ca 0.27 -0.79 -0.27 0.00 -0.36 0.00 0.00 55.97 54.82 1thj s LYS 143 Cb 0.03 -1.36 -0.02 0.00 -1.51 0.00 0.00 37.83 34.97 1thj s LYS 143 CO 0.16 -1.05 0.88 0.08 -0.36 0.00 0.00 175.35 175.06 1thj s VAL 144 N 1.81 4.90 0.43 4.02 1.01 0.14 -1.62 120.40 131.08 1thj s VAL 144 Ca 0.11 1.79 -0.07 0.00 0.00 0.00 0.00 61.98 63.80 1thj s VAL 144 Cb -0.18 -4.20 0.10 0.00 0.00 0.00 0.00 36.38 32.11 1thj s VAL 144 CO -0.28 0.11 0.52 0.61 0.00 0.00 0.00 175.10 176.06 1thj n GLY 145 N 3.15 -1.63 3.70 4.51 0.00 -0.98 -0.90 105.19 113.04 1thj n GLY 145 Ca 0.04 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.94 3.17 -1.06 1.61 -0.87 -1.26 -3.71 114.94 109.87 1thj s ASN 146 Ca 0.31 1.45 -0.13 0.00 -1.57 0.00 0.00 52.86 52.91 1thj s ASN 146 Cb -0.01 -2.13 0.13 0.00 -0.02 0.00 0.00 41.25 39.23 1thj s ASN 146 CO 0.22 -2.83 0.34 0.59 -2.57 0.00 0.00 177.10 172.85 1thj n ASN 147 N -4.00 -1.25 -4.89 -1.22 3.02 -0.74 -1.56 115.26 104.62 1thj n ASN 147 Ca 0.07 -0.59 -0.21 0.00 -0.03 0.00 0.00 54.58 53.82 1thj n ASN 147 Cb 0.55 -1.12 0.08 0.00 -0.61 0.00 0.00 39.78 38.68 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 -2.83 -0.48 -0.51 0.00 1.01 -0.68 -2.32 120.40 114.59 1thj s VAL 149 Ca 0.63 -0.09 -0.18 0.00 0.00 0.00 0.00 61.98 62.34 1thj s VAL 149 Cb -0.06 -0.75 0.07 0.00 0.00 0.00 0.00 36.38 35.64 1thj s VAL 149 CO 0.41 -0.16 0.55 -0.76 0.00 0.00 0.00 175.10 175.14 1thj s LEU 150 N 2.45 5.34 1.01 3.92 1.43 -0.37 -1.11 118.68 131.34 1thj s LEU 150 Ca 0.10 -1.19 -0.11 0.00 -1.03 0.00 0.00 54.13 51.90 1thj s LEU 150 Cb -0.16 -2.32 0.20 0.00 0.03 0.00 0.00 46.19 43.94 1thj s LEU 150 CO -0.14 -0.84 1.10 -1.61 0.23 0.00 0.00 176.35 175.09 1thj s GLU 151 N 2.23 0.30 0.09 1.70 2.02 -0.69 -0.22 118.70 124.14 1thj s GLU 151 Ca 0.10 1.25 -0.36 0.00 0.02 0.00 0.00 54.97 55.98 1thj s GLU 151 Cb -0.22 -1.67 -0.18 0.00 0.10 0.00 0.00 34.13 32.16 1thj s GLU 151 CO 0.09 -3.02 1.04 -2.30 0.02 0.00 0.00 175.26 171.08 1thj n PRO 152 N -4.47 0.46 -0.24 0.39 -0.02 -1.26 -0.78 135.00 129.08 1thj n PRO 152 Ca 0.08 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1thj n PRO 152 Cb 0.53 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 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 1.62 0.00 -1.12 -0.52 5.12 -0.46 -2.26 116.66 119.04 1thj n ARG 153 Ca 0.18 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.82 1thj n ARG 153 Cb 0.17 -2.17 0.18 0.00 -1.16 0.00 0.00 32.46 29.48 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 -3.44 2.48 -0.18 0.55 1.04 0.04 -3.61 113.70 110.58 1thj s SER 154 Ca 0.00 1.21 -0.19 0.00 0.48 0.00 0.00 55.95 57.45 1thj s SER 154 Cb 0.00 -1.88 0.05 0.00 0.10 0.00 0.00 66.02 64.29 1thj s SER 154 CO 0.00 -3.23 0.52 0.00 0.98 0.00 0.00 173.24 171.52 1thj s ALA 155 N -2.93 -1.30 -0.14 5.32 0.00 0.01 -2.59 121.76 120.12 1thj s ALA 155 Ca 0.66 1.43 0.00 0.00 0.00 0.00 0.00 51.96 54.05 1thj s ALA 155 Cb -0.19 -0.79 0.03 0.00 0.00 0.00 0.00 23.12 22.17 1thj s ALA 155 CO 0.58 -0.25 -0.11 0.00 0.00 0.00 0.00 175.76 175.98 1thj s ALA 156 N 0.15 1.67 -0.20 0.00 0.00 -0.26 0.71 121.76 123.82 1thj s ALA 156 Ca -0.01 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.13 1thj s ALA 156 Cb -0.04 -1.04 0.05 0.00 0.00 0.00 0.00 23.12 22.10 1thj s ALA 156 CO 0.01 -0.48 -0.03 0.42 0.00 0.00 0.00 175.76 175.69 1thj s ILE 157 N 1.56 1.09 -1.09 0.00 1.01 0.24 -1.89 121.20 122.12 1thj s ILE 157 Ca 0.04 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.85 1thj s ILE 157 Cb -0.13 -1.41 0.00 0.00 0.01 0.00 0.00 42.46 40.93 1thj s ILE 157 CO -0.09 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.39 1thj n GLY 158 N 4.85 0.63 3.59 6.18 0.00 -0.75 -4.40 105.19 115.28 1thj n GLY 158 Ca -0.11 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.48 0.97 -0.24 1.61 0.11 -1.25 -4.80 120.40 114.31 1thj s VAL 159 Ca 0.00 -2.00 -0.00 0.00 -2.93 0.00 0.00 61.98 57.05 1thj s VAL 159 Cb 0.00 -2.42 0.07 0.00 -1.53 0.00 0.00 36.38 32.50 1thj s VAL 159 CO 0.00 0.00 -0.00 -0.89 -3.33 0.00 0.00 175.10 170.88 1thj s THR 160 N -3.09 1.27 0.06 5.04 2.01 -1.26 -2.36 115.64 117.32 1thj s THR 160 Ca 0.21 -1.19 -0.30 0.00 0.31 0.00 0.00 61.69 60.73 1thj s THR 160 Cb 0.04 -1.68 -0.05 0.00 0.01 0.00 0.00 72.50 70.82 1thj s THR 160 CO 0.12 -0.24 1.05 -0.63 -0.69 0.00 0.00 174.62 174.22 1thj s ILE 161 N 1.49 4.44 0.81 1.82 1.09 -0.64 -4.72 121.20 125.49 1thj s ILE 161 Ca -0.01 1.84 -0.11 0.00 -1.10 0.00 0.00 60.65 61.26 1thj s ILE 161 Cb -0.18 -4.18 0.08 0.00 -1.06 0.00 0.00 42.46 37.11 1thj s ILE 161 CO -0.09 0.20 1.10 -2.84 -0.10 0.00 0.00 174.94 173.20 1thj s PRO 162 N 0.63 1.99 0.72 2.79 0.02 -1.26 -2.31 135.00 137.57 1thj s PRO 162 Ca 0.52 0.65 -0.15 0.00 0.02 0.00 0.00 61.00 62.04 1thj s PRO 162 Cb -0.25 -1.91 0.03 0.00 0.02 0.00 0.00 34.50 32.40 1thj s PRO 162 CO 0.30 -1.69 1.21 -0.51 -0.33 0.00 0.00 177.00 175.97 1thj s ASP 163 N -3.87 4.27 -0.17 2.53 1.11 -1.26 -3.30 116.67 115.98 1thj s ASP 163 Ca 0.61 2.35 0.00 0.00 0.18 0.00 0.00 52.55 55.69 1thj s ASP 163 Cb -0.15 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.25 1thj s ASP 163 CO 0.54 -2.21 0.00 0.61 1.18 0.00 0.00 175.17 175.29 1thj n GLY 164 N 0.37 0.30 4.00 0.21 0.00 -0.60 -4.96 105.19 104.51 1thj n GLY 164 Ca 0.13 -0.04 -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 -1.60 2.64 -0.02 1.61 1.81 -1.21 0.21 118.95 122.38 1thj s ARG 165 Ca 0.00 -1.15 -0.06 0.00 -1.72 0.00 0.00 55.73 52.80 1thj s ARG 165 Cb 0.00 -2.65 0.01 0.00 -0.45 0.00 0.00 34.95 31.86 1thj s ARG 165 CO 0.00 -0.52 0.14 1.52 -0.68 0.00 0.00 175.30 175.76 1thj s TYR 166 N -2.54 -0.04 -0.26 -0.53 -0.85 -0.91 -1.68 117.35 110.55 1thj s TYR 166 Ca 0.57 0.09 -0.07 0.00 -0.52 0.00 0.00 57.07 57.14 1thj s TYR 166 Cb -0.09 -0.01 -0.02 0.00 0.38 0.00 0.00 41.96 42.21 1thj s TYR 166 CO 0.36 -0.19 0.07 0.42 -1.52 0.00 0.00 175.55 174.69 1thj s ILE 167 N -0.73 4.29 0.73 -3.49 1.01 -0.26 -4.07 121.20 118.68 1thj s ILE 167 Ca -0.08 -0.23 -0.16 0.00 0.00 0.00 0.00 60.65 60.19 1thj s ILE 167 Cb -0.05 -3.03 0.02 0.00 0.01 0.00 0.00 42.46 39.41 1thj s ILE 167 CO 0.01 0.31 1.09 -2.65 0.00 0.00 0.00 174.94 173.69 1thj n PRO 168 N 4.92 0.55 -1.63 2.79 -0.02 -1.26 -1.70 135.00 138.65 1thj n PRO 168 Ca -0.16 0.25 -0.47 0.00 -2.02 0.00 0.00 63.50 61.10 1thj n PRO 168 Cb 0.51 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.62 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 -2.58 0.23 0.00 3.55 0.00 -1.26 -1.62 120.51 118.82 1thj n ALA 169 Ca 0.14 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1thj n ALA 169 Cb 0.49 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 2.35 3.00 3.69 0.00 0.00 -0.96 -4.85 105.19 108.42 1thj n GLY 170 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 4.32 -0.54 1.61 0.00 -0.64 -4.75 119.30 119.30 1thj s MET 171 Ca 0.00 1.77 -0.14 0.00 0.00 0.00 0.00 55.69 57.32 1thj s MET 171 Cb 0.00 -3.57 0.13 0.00 0.00 0.00 0.00 34.83 31.39 1thj s MET 171 CO 0.00 -0.50 0.47 0.08 0.00 0.00 0.00 175.02 175.07 1thj s VAL 172 N 2.33 4.96 -0.13 10.11 1.01 -1.26 -0.81 120.40 136.61 1thj s VAL 172 Ca 0.58 -1.63 -0.26 0.00 0.00 0.00 0.00 61.98 60.68 1thj s VAL 172 Cb -0.27 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 1thj s VAL 172 CO 0.23 -0.85 0.85 -0.69 0.00 0.00 0.00 175.10 174.63 1thj s VAL 173 N 1.47 4.89 -0.00 2.92 1.01 0.22 -4.92 120.40 125.99 1thj s VAL 173 Ca 0.04 1.69 0.00 0.00 0.00 0.00 0.00 61.98 63.72 1thj s VAL 173 Cb -0.28 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 31.94 1thj s VAL 173 CO 0.02 0.07 0.67 0.35 0.00 0.00 0.00 175.10 176.20 1thj n THR 174 N 4.50 0.30 -4.02 3.92 -2.24 -1.26 -0.59 114.28 114.89 1thj n THR 174 Ca 0.04 -0.31 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 1thj n THR 174 Cb 0.49 0.82 -0.14 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.37 0.37 0.30 3.42 1.04 -1.26 -4.83 113.70 112.37 1thj s SER 175 Ca 0.01 -0.13 -0.01 0.00 0.48 0.00 0.00 55.95 56.29 1thj s SER 175 Cb 0.01 -0.02 0.46 0.00 0.10 0.00 0.00 66.02 66.57 1thj s SER 175 CO 0.00 -0.02 1.90 -0.61 0.98 0.00 0.00 173.24 175.50 1thj h GLN 176 N 5.81 0.89 -0.32 4.02 5.75 -1.96 -0.68 115.11 128.63 1thj h GLN 176 Ca -0.27 -0.12 0.07 0.00 -0.15 0.00 0.00 58.65 58.17 1thj h GLN 176 Cb 1.20 -0.17 -0.08 0.00 1.07 0.00 0.00 27.48 29.50 1thj h GLN 176 CO 0.49 0.70 -0.36 0.00 -2.65 0.00 0.00 178.83 177.00 1thj h ALA 177 N 1.44 -0.33 -0.34 3.38 0.00 -1.99 0.19 119.26 121.61 1thj h ALA 177 Ca 0.22 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1thj h ALA 177 Cb 0.10 0.75 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1thj h ALA 177 CO -0.03 -0.80 0.20 0.93 0.00 0.00 0.00 179.25 179.56 1thj h GLU 178 N -0.33 0.45 -0.54 0.00 4.39 -1.76 -2.94 114.58 113.86 1thj h GLU 178 Ca 0.14 -0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.88 1thj h GLU 178 Cb 0.56 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 29.05 1thj h GLU 178 CO -0.50 0.34 0.18 0.00 -1.16 0.00 0.00 179.01 177.88 1thj h ALA 179 N 1.09 0.66 0.00 3.43 0.00 0.17 -0.60 119.26 124.01 1thj h ALA 179 Ca 0.12 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1thj h ALA 179 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1thj h ALA 179 CO -0.02 -0.22 -0.04 -0.44 0.00 0.00 0.00 179.25 178.53 1thj h ASP 180 N 0.35 0.00 -0.43 0.00 3.32 -0.52 -1.53 116.42 117.61 1thj h ASP 180 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1thj h ASP 180 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1thj h ASP 180 CO -0.28 0.04 0.00 0.29 -1.72 0.00 0.00 179.24 177.57 1thj n LYS 181 N -3.92 2.17 -1.93 3.56 5.02 -0.25 -4.96 118.16 117.85 1thj n LYS 181 Ca -0.03 -1.80 -0.37 0.00 -2.02 0.00 0.00 58.31 54.10 1thj n LYS 181 Cb 0.13 -1.42 0.03 0.00 -0.02 0.00 0.00 35.03 33.75 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 -1.18 3.78 0.76 -0.35 1.43 -0.58 -4.98 118.68 117.56 1thj s LEU 182 Ca 0.35 2.55 -0.14 0.00 -1.03 0.00 0.00 54.13 55.86 1thj s LEU 182 Cb 0.19 -4.43 0.06 0.00 0.03 0.00 0.00 46.19 42.04 1thj s LEU 182 CO 0.25 -1.54 1.19 -2.84 0.23 0.00 0.00 176.35 173.64 1thj s PRO 183 N -3.08 1.99 0.04 1.29 0.02 -1.26 -4.84 135.00 129.16 1thj s PRO 183 Ca 0.74 1.67 -0.13 0.00 0.02 0.00 0.00 61.00 63.30 1thj s PRO 183 Cb -0.35 -1.83 -0.06 0.00 0.02 0.00 0.00 34.50 32.29 1thj s PRO 183 CO 0.40 -1.93 0.42 -1.21 -0.33 0.00 0.00 177.00 174.35 1thj s GLU 184 N -4.10 3.87 -0.28 5.54 2.02 -1.26 -2.14 118.70 122.35 1thj s GLU 184 Ca 0.72 0.34 -0.29 0.00 0.02 0.00 0.00 54.97 55.75 1thj s GLU 184 Cb -0.27 -3.12 0.01 0.00 0.10 0.00 0.00 34.13 30.85 1thj s GLU 184 CO 0.48 0.63 1.16 0.08 0.02 0.00 0.00 175.26 177.62 1thj s VAL 185 N -1.23 4.40 0.40 2.63 1.01 0.13 -4.88 120.40 122.87 1thj s VAL 185 Ca 0.28 1.63 0.08 0.00 0.00 0.00 0.00 61.98 63.96 1thj s VAL 185 Cb -0.16 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1thj s VAL 185 CO 0.15 -0.40 0.23 0.42 0.00 0.00 0.00 175.10 175.50 1thj s THR 186 N 3.77 2.50 -0.15 3.92 -4.23 -1.26 -4.99 115.64 115.20 1thj s THR 186 Ca 0.49 -1.60 0.23 0.00 -1.18 0.00 0.00 61.69 59.63 1thj s THR 186 Cb -0.15 -3.00 0.23 0.00 1.34 0.00 0.00 72.50 70.93 1thj s THR 186 CO 0.16 -0.03 1.72 -0.78 -0.54 0.00 0.00 174.62 175.15 1thj h ASP 187 N 1.34 0.00 -0.08 3.99 1.82 -1.96 -0.01 116.42 121.51 1thj h ASP 187 Ca -0.43 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.21 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 0.66 0.00 0.00 -0.90 -1.61 0.00 0.00 179.24 177.39 1thj n ASP 188 N -2.32 2.01 -4.75 2.28 5.75 -1.26 -4.92 116.55 113.34 1thj n ASP 188 Ca -0.01 -1.54 -0.41 0.00 -0.01 0.00 0.00 54.79 52.82 1thj n ASP 188 Cb 0.05 -0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 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 -0.82 3.12 0.25 2.11 5.04 -0.02 -4.93 117.35 122.11 1thj s TYR 189 Ca 0.13 1.22 -0.03 0.00 -2.44 0.00 0.00 57.07 55.94 1thj s TYR 189 Cb 0.08 -3.69 0.46 0.00 0.35 0.00 0.00 41.96 39.16 1thj s TYR 189 CO 0.12 -2.12 1.76 0.00 -1.34 0.00 0.00 175.55 173.97 1thj h ALA 190 N 4.66 1.14 -0.36 3.97 0.00 -1.92 -2.24 119.26 124.51 1thj h ALA 190 Ca -0.46 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1thj h ALA 190 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1thj h ALA 190 CO 0.74 -0.11 0.00 0.66 0.00 0.00 0.00 179.25 180.54 1thj n TYR 191 N -4.90 0.52 -0.07 0.00 4.01 -1.26 -4.43 117.16 111.03 1thj n TYR 191 Ca 0.15 -0.25 0.25 0.00 -0.16 0.00 0.00 57.90 57.88 1thj n TYR 191 Cb 0.39 -0.01 0.72 0.00 -0.31 0.00 0.00 39.34 40.12 1thj n TYR 191 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1thj h SER 192 N 2.14 0.00 0.00 7.72 4.64 -1.67 -2.04 113.55 124.33 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 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1thj h SER 192 CO 0.01 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.38 1thj n HIS 193 N -4.09 0.00 -0.31 4.77 8.25 -1.26 -4.78 115.22 117.81 1thj n HIS 193 Ca 0.14 -0.14 0.06 0.00 -0.26 0.00 0.00 57.72 57.52 1thj n HIS 193 Cb 0.81 -0.01 0.27 0.00 1.12 0.00 0.00 29.99 32.18 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 0.14 0.99 0.39 1.59 2.02 -1.63 -2.77 112.91 113.64 1thj h THR 194 Ca 0.00 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 1thj h THR 194 Cb 0.19 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 1thj h THR 194 CO 0.00 0.17 -0.19 -1.13 0.37 0.00 0.00 175.52 174.75 1thj h ASN 195 N 0.95 -0.44 -0.84 4.18 -1.24 -1.87 -1.62 115.58 114.70 1thj h ASN 195 Ca 0.42 -0.01 0.21 0.00 0.71 0.00 0.00 56.30 57.63 1thj h ASN 195 Cb 0.37 0.11 -0.14 0.00 0.73 0.00 0.00 38.32 39.39 1thj h ASN 195 CO -0.18 -0.28 0.16 -0.33 -1.29 0.00 0.00 177.43 175.51 1thj h GLU 196 N -0.57 0.17 0.14 6.67 5.08 -1.85 0.39 114.58 124.61 1thj h GLU 196 Ca -0.05 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1thj h GLU 196 Cb 0.43 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1thj h GLU 196 CO 0.09 0.11 -0.07 0.00 -1.00 0.00 0.00 179.01 178.14 1thj h ALA 197 N 1.76 -0.19 -0.48 3.43 0.00 -1.42 -1.62 119.26 120.74 1thj h ALA 197 Ca 0.51 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.31 1thj h ALA 197 Cb 0.99 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1thj h ALA 197 CO -0.66 -0.47 0.25 0.28 0.00 0.00 0.00 179.25 178.64 1thj h VAL 198 N -0.45 0.98 -0.12 0.00 2.07 0.01 -1.11 116.25 117.63 1thj h VAL 198 Ca -0.02 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.36 1thj h VAL 198 Cb 0.36 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1thj h VAL 198 CO 0.03 0.09 -0.07 0.58 0.02 0.00 0.00 177.57 178.22 1thj h VAL 199 N 0.49 0.78 0.14 2.57 2.07 -0.25 -1.00 116.25 121.05 1thj h VAL 199 Ca 0.20 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.74 1thj h VAL 199 Cb 0.10 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 1thj h VAL 199 CO -0.13 0.00 -0.45 0.22 0.02 0.00 0.00 177.57 177.22 1thj h TYR 200 N -0.07 -1.29 -0.20 1.57 3.20 -0.68 0.57 116.97 120.07 1thj h TYR 200 Ca 0.07 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.03 1thj h TYR 200 Cb 0.17 0.55 -0.07 0.00 1.54 0.00 0.00 36.73 38.92 1thj h TYR 200 CO -0.20 -0.55 -0.28 0.28 -1.64 0.00 0.00 178.16 175.77 1thj h VAL 201 N -0.70 0.34 -0.91 1.81 2.07 -0.88 -1.53 116.25 116.45 1thj h VAL 201 Ca 0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1thj h VAL 201 Cb 0.71 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1thj h VAL 201 CO -0.25 0.00 0.55 0.78 0.02 0.00 0.00 177.57 178.67 1thj h ASN 202 N -0.32 1.09 -0.67 0.57 2.35 -0.93 0.27 115.58 117.94 1thj h ASN 202 Ca 0.12 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1thj h ASN 202 Cb 0.50 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 1thj h ASN 202 CO -0.38 0.83 0.40 0.58 -1.65 0.00 0.00 177.43 177.22 1thj h VAL 203 N 1.25 1.19 0.00 2.81 2.07 -0.47 0.64 116.25 123.75 1thj h VAL 203 Ca 0.33 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 67.32 1thj h VAL 203 Cb -0.06 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1thj h VAL 203 CO -0.06 0.20 -0.49 0.45 0.02 0.00 0.00 177.57 177.69 1thj h HIS 204 N 0.91 0.00 -0.15 1.57 3.86 -0.47 -2.59 115.15 118.29 1thj h HIS 204 Ca 0.24 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.33 1thj h HIS 204 Cb -0.03 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 1thj h HIS 204 CO -0.02 0.49 -0.45 -0.07 0.86 0.00 0.00 177.93 178.75 1thj h LEU 205 N 0.00 0.38 0.99 2.43 3.38 0.66 -1.56 115.31 121.59 1thj h LEU 205 Ca -0.00 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1thj h LEU 205 Cb 0.87 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.52 1thj h LEU 205 CO 0.06 0.78 -0.47 0.00 0.09 0.00 0.00 178.44 178.90 1thj h ALA 206 N 1.24 -1.33 -0.55 1.53 0.00 -0.51 -0.73 119.26 118.90 1thj h ALA 206 Ca 0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1thj h ALA 206 Cb 0.91 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 1thj h ALA 206 CO 0.08 -1.23 0.28 1.05 0.00 0.00 0.00 179.25 179.43 1thj h GLU 207 N -1.36 0.78 -0.84 0.00 4.11 -1.57 -2.20 114.58 113.50 1thj h GLU 207 Ca -0.14 -0.10 0.10 0.00 0.07 0.00 0.00 59.36 59.29 1thj h GLU 207 Cb 1.02 -0.15 -0.08 0.00 0.50 0.00 0.00 28.75 30.04 1thj h GLU 207 CO 0.22 0.62 0.48 0.78 0.07 0.00 0.00 179.01 181.18 1thj h GLY 208 N 0.74 1.32 2.00 1.06 0.00 -1.22 0.23 103.07 107.20 1thj h GLY 208 Ca 0.19 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1thj h GLY 208 CO -0.03 0.11 0.00 -0.97 0.00 0.00 0.00 176.54 175.66 1thj h TYR 209 N 0.78 0.00 0.00 5.60 0.05 -0.82 -3.16 116.97 119.43 1thj h TYR 209 Ca 0.41 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 59.14 1thj h TYR 209 Cb 0.40 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 1thj h TYR 209 CO -0.06 0.00 -0.25 0.87 -1.05 0.00 0.00 178.16 177.67 1thj h LYS 210 N 0.00 0.00 0.00 4.88 1.57 0.09 -3.29 116.57 119.82 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 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1thj h LYS 210 CO 0.00 0.25 -0.07 0.93 -0.57 0.00 0.00 179.45 179.99 1thj h GLU 211 N 0.00 0.00 -0.00 3.15 3.07 -1.56 -3.51 114.58 115.73 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 0.73 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 1thj h GLU 211 CO 0.03 0.00 0.00 2.41 -1.40 0.00 0.00 179.01 180.05