#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1htl s LEU 5 N 0.00 2.59 0.05 0.55 1.43 0.13 -4.80 118.68 118.63 1htl s LEU 5 Ca 0.00 -1.11 0.04 0.00 -1.03 0.00 0.00 54.13 52.03 1htl s LEU 5 Cb 0.00 -0.88 -0.03 0.00 0.03 0.00 0.00 46.19 45.32 1htl s LEU 5 CO 0.00 -0.15 -0.11 -0.31 0.23 0.00 0.00 176.35 176.00 1htl s TYR 6 N -2.75 0.95 -0.23 0.29 2.02 -0.14 -0.27 117.35 117.21 1htl s TYR 6 Ca 0.29 -0.45 -0.12 0.00 -0.37 0.00 0.00 57.07 56.42 1htl s TYR 6 Cb -0.00 -0.55 0.08 0.00 -0.40 0.00 0.00 41.96 41.09 1htl s TYR 6 CO 0.13 -0.01 0.54 0.50 -1.57 0.00 0.00 175.55 175.14 1htl s ARG 7 N -1.54 0.52 0.30 -0.62 3.52 -0.98 0.91 118.95 121.05 1htl s ARG 7 Ca -0.05 1.06 -0.27 0.00 -0.13 0.00 0.00 55.73 56.34 1htl s ARG 7 Cb -0.09 0.19 -0.09 0.00 -1.56 0.00 0.00 34.95 33.39 1htl s ARG 7 CO 0.01 -0.17 0.97 0.00 -0.81 0.00 0.00 175.30 175.30 1htl s ALA 8 N 1.82 3.26 -0.16 6.12 0.00 -1.26 -1.25 121.76 130.29 1htl s ALA 8 Ca -0.08 0.62 -0.24 0.00 0.00 0.00 0.00 51.96 52.26 1htl s ALA 8 Cb -0.08 -3.22 0.06 0.00 0.00 0.00 0.00 23.12 19.88 1htl s ALA 8 CO -0.16 0.11 0.61 0.34 0.00 0.00 0.00 175.76 176.66 1htl s ASP 9 N -1.39 -0.61 0.01 0.00 -1.08 -0.32 -4.70 116.67 108.58 1htl s ASP 9 Ca 0.47 1.00 0.28 0.00 -0.52 0.00 0.00 52.55 53.78 1htl s ASP 9 Cb -0.23 0.98 1.18 0.00 -1.46 0.00 0.00 42.92 43.39 1htl s ASP 9 CO 0.29 -0.35 1.90 -1.54 0.52 0.00 0.00 175.17 175.98 1htl n SER 10 N 2.09 0.05 -4.67 -0.34 3.41 -1.26 -1.09 113.62 111.81 1htl n SER 10 Ca -0.16 0.51 -0.43 0.00 -0.26 0.00 0.00 58.87 58.53 1htl n SER 10 Cb 0.56 -0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1htl n SER 10 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1htl s ARG 11 N -3.01 4.32 0.60 4.33 0.52 -1.26 -4.85 118.95 119.60 1htl s ARG 11 Ca 0.13 1.39 -0.16 0.00 -0.52 0.00 0.00 55.73 56.57 1htl s ARG 11 Cb 0.18 -3.61 -0.03 0.00 0.52 0.00 0.00 34.95 32.01 1htl s ARG 11 CO 0.52 -0.51 1.08 -1.25 0.02 0.00 0.00 175.30 175.15 1htl s PRO 12 N 2.76 3.20 0.64 3.54 0.04 -1.26 -4.75 135.00 139.18 1htl s PRO 12 Ca 0.46 1.31 0.24 0.00 0.04 0.00 0.00 61.00 63.05 1htl s PRO 12 Cb -0.17 -2.01 1.24 0.00 0.04 0.00 0.00 34.50 33.61 1htl s PRO 12 CO 0.11 -0.92 1.70 -1.35 0.04 0.00 0.00 177.00 176.58 1htl h PRO 13 N 0.47 0.00 0.00 0.56 0.11 -1.99 0.61 132.00 131.76 1htl h PRO 13 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1htl h PRO 13 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1htl h PRO 13 CO 0.56 0.00 -1.62 -0.40 -0.21 0.00 0.00 178.00 176.34 1htl n ASP 14 N -3.02 0.37 0.11 -2.05 5.68 -1.26 -2.96 116.55 113.42 1htl n ASP 14 Ca 0.02 0.15 -0.19 0.00 -0.50 0.00 0.00 54.79 54.27 1htl n ASP 14 Cb 0.64 1.26 -0.13 0.00 -1.14 0.00 0.00 41.12 41.74 1htl n ASP 14 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1htl h GLU 15 N 0.00 0.40 -0.44 0.11 4.81 -1.28 -2.33 114.58 115.85 1htl h GLU 15 Ca -0.04 -0.64 -0.08 0.00 -0.13 0.00 0.00 59.36 58.47 1htl h GLU 15 Cb 1.10 0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 1htl h GLU 15 CO 0.00 1.29 -0.06 0.82 -0.73 0.00 0.00 179.01 180.34 1htl h ILE 16 N 0.13 1.25 -0.02 2.32 5.03 -1.45 -2.14 117.51 122.63 1htl h ILE 16 Ca -0.17 -1.07 -0.13 0.00 -0.12 0.00 0.00 64.86 63.36 1htl h ILE 16 Cb 1.99 0.97 -0.02 0.00 -3.03 0.00 0.00 36.82 36.73 1htl h ILE 16 CO 0.23 0.37 -0.61 0.50 -0.68 0.00 0.00 178.15 177.96 1htl h LYS 17 N 0.70 0.08 0.00 2.37 3.64 -1.54 0.44 116.57 122.27 1htl h LYS 17 Ca 0.13 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 1htl h LYS 17 Cb 0.51 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1htl h LYS 17 CO 0.03 0.67 -0.44 -0.09 -2.27 0.00 0.00 179.45 177.35 1htl h ARG 18 N 0.06 0.00 -0.02 1.90 2.43 -0.92 -3.17 114.38 114.67 1htl h ARG 18 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1htl h ARG 18 Cb 1.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1htl h ARG 18 CO 0.08 0.44 -0.41 0.43 -1.51 0.00 0.00 179.97 179.00 1htl n SER 19 N -3.70 1.94 0.00 -3.80 7.64 -0.85 -4.94 113.62 109.90 1htl n SER 19 Ca -0.01 -1.45 0.00 0.00 1.01 0.00 0.00 58.87 58.42 1htl n SER 19 Cb 0.51 0.39 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 1htl n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1htl n GLY 20 N 1.40 0.90 0.00 0.23 0.00 -1.07 -1.41 105.19 105.23 1htl n GLY 20 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1htl n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1htl n GLY 21 N -2.00 0.42 3.58 -0.02 0.00 0.12 0.59 105.19 107.89 1htl n GLY 21 Ca 0.00 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 1htl n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1htl s LEU 22 N 0.00 3.52 0.01 0.99 1.43 -0.82 -4.72 118.68 119.08 1htl s LEU 22 Ca 0.00 0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.21 1htl s LEU 22 Cb 0.00 -3.23 -0.04 0.00 0.03 0.00 0.00 46.19 42.95 1htl s LEU 22 CO 0.00 -1.42 0.23 -0.04 0.23 0.00 0.00 176.35 175.35 1htl s MET 23 N 4.81 3.51 0.90 1.70 -1.94 -1.26 -1.18 119.30 125.84 1htl s MET 23 Ca 0.43 -0.20 -0.11 0.00 -1.71 0.00 0.00 55.69 54.11 1htl s MET 23 Cb -0.08 -3.07 0.14 0.00 2.01 0.00 0.00 34.83 33.83 1htl s MET 23 CO 0.26 0.65 1.11 -2.14 -0.01 0.00 0.00 175.02 174.90 1htl s PRO 24 N -1.91 1.14 0.41 2.03 0.02 -1.26 -4.90 135.00 130.53 1htl s PRO 24 Ca 0.28 1.31 -0.26 0.00 0.02 0.00 0.00 61.00 62.35 1htl s PRO 24 Cb -0.13 -1.76 -0.10 0.00 0.02 0.00 0.00 34.50 32.53 1htl s PRO 24 CO 0.18 -2.47 1.27 -2.13 -0.33 0.00 0.00 177.00 173.52 1htl n ARG 25 N -4.10 1.94 0.00 5.54 0.63 0.58 -2.24 116.66 119.01 1htl n ARG 25 Ca 0.10 0.69 0.00 0.00 -0.92 0.00 0.00 57.85 57.72 1htl n ARG 25 Cb 0.53 -2.36 0.00 0.00 0.45 0.00 0.00 32.46 31.07 1htl n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1htl n GLY 26 N 0.82 1.31 3.65 5.14 0.00 -1.26 -4.82 105.19 110.02 1htl n GLY 26 Ca 0.06 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1htl n GLY 26 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1htl s HIS 27 N -0.14 1.93 -0.05 1.61 2.46 -0.95 -4.87 115.29 115.28 1htl s HIS 27 Ca 0.00 0.26 -0.26 0.00 0.47 0.00 0.00 55.06 55.54 1htl s HIS 27 Cb 0.00 -3.95 -0.20 0.00 -0.13 0.00 0.00 32.58 28.29 1htl s HIS 27 CO 0.00 -3.73 1.12 -0.97 -2.47 0.00 0.00 174.74 168.69 1htl h ASN 28 N 10.18 -0.04 -4.73 9.88 -0.00 -1.92 -3.42 115.58 125.53 1htl h ASN 28 Ca -0.38 -0.54 -0.31 0.00 -0.00 0.00 0.00 56.30 55.06 1htl h ASN 28 Cb 1.18 0.01 -0.15 0.00 -0.00 0.00 0.00 38.32 39.36 1htl h ASN 28 CO 0.97 0.54 -0.62 -1.83 -0.00 0.00 0.00 177.43 176.48 1htl s GLU 29 N -3.79 1.31 0.05 6.67 -1.05 -1.26 -4.73 118.70 115.90 1htl s GLU 29 Ca -0.16 -1.70 -0.32 0.00 -0.15 0.00 0.00 54.97 52.65 1htl s GLU 29 Cb 0.01 -0.15 -0.18 0.00 -0.44 0.00 0.00 34.13 33.37 1htl s GLU 29 CO 0.64 -0.29 1.44 -0.92 0.95 0.00 0.00 175.26 177.08 1htl h TYR 30 N 2.49 -1.06 -0.05 4.83 3.20 -1.54 -3.17 116.97 121.66 1htl h TYR 30 Ca -0.37 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.46 1htl h TYR 30 Cb 1.24 0.35 -0.01 0.00 1.54 0.00 0.00 36.73 39.86 1htl h TYR 30 CO 0.45 -0.66 0.01 1.19 -1.64 0.00 0.00 178.16 177.51 1htl n PHE 31 N -5.17 0.17 -2.61 -3.82 3.72 -1.26 -4.84 117.46 103.64 1htl n PHE 31 Ca -0.14 -0.19 -0.43 0.00 -0.05 0.00 0.00 57.45 56.64 1htl n PHE 31 Cb 0.45 -0.17 -0.02 0.00 -0.94 0.00 0.00 39.48 38.80 1htl n PHE 31 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1htl s ASP 32 N 0.16 6.76 0.00 4.37 2.15 -1.20 -4.87 116.67 124.04 1htl s ASP 32 Ca 0.04 0.72 0.22 0.00 0.43 0.00 0.00 52.55 53.96 1htl s ASP 32 Cb 0.03 -2.55 -0.09 0.00 -0.30 0.00 0.00 42.92 40.01 1htl s ASP 32 CO 0.01 -1.10 0.98 0.54 -0.17 0.00 0.00 175.17 175.43 1htl n ARG 33 N 7.44 0.05 0.26 4.34 1.74 -1.26 -4.40 116.66 124.83 1htl n ARG 33 Ca 0.12 -0.01 0.18 0.00 -0.77 0.00 0.00 57.85 57.37 1htl n ARG 33 Cb 0.48 -1.51 0.88 0.00 -1.02 0.00 0.00 32.46 31.30 1htl n ARG 33 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1htl h GLY 34 N 4.92 0.00 -7.65 -0.13 0.00 -1.99 -3.37 103.07 94.85 1htl h GLY 34 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 1htl h GLY 34 CO 0.00 0.00 -0.68 -1.59 0.00 0.00 0.00 176.54 174.27 1htl s THR 35 N -3.82 2.60 -1.13 4.70 2.01 -1.26 -5.02 115.64 113.73 1htl s THR 35 Ca -0.02 -2.14 -0.22 0.00 0.31 0.00 0.00 61.69 59.62 1htl s THR 35 Cb 0.10 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 1htl s THR 35 CO 0.38 -0.54 1.83 -1.58 -0.69 0.00 0.00 174.62 174.03 1htl s GLN 36 N 1.01 2.98 0.27 4.92 2.00 -1.26 -4.92 119.66 124.65 1htl s GLN 36 Ca 0.07 -1.16 -0.29 0.00 -2.00 0.00 0.00 55.36 51.98 1htl s GLN 36 Cb -0.20 -5.29 -0.10 0.00 0.80 0.00 0.00 33.01 28.23 1htl s GLN 36 CO -0.06 -3.25 1.28 1.41 -0.50 0.00 0.00 175.29 174.17 1htl s MET 37 N 5.90 4.41 -0.24 1.67 -2.45 -1.26 -5.00 119.30 122.34 1htl s MET 37 Ca 0.63 2.09 -0.29 0.00 -1.25 0.00 0.00 55.69 56.86 1htl s MET 37 Cb -0.01 -3.14 -0.01 0.00 1.25 0.00 0.00 34.83 32.92 1htl s MET 37 CO 0.06 -0.16 1.28 1.21 1.05 0.00 0.00 175.02 178.47 1htl s ASN 38 N -0.19 6.80 -0.20 1.11 3.84 -1.26 -4.95 114.94 120.10 1htl s ASN 38 Ca 0.52 1.44 -0.07 0.00 0.21 0.00 0.00 52.86 54.95 1htl s ASN 38 Cb -0.37 -2.54 -0.04 0.00 -0.55 0.00 0.00 41.25 37.75 1htl s ASN 38 CO 0.45 -0.93 0.06 -0.63 -2.79 0.00 0.00 177.10 173.26 1htl s ILE 39 N 3.96 4.62 -0.30 -5.21 1.01 -1.26 -2.55 121.20 121.48 1htl s ILE 39 Ca 0.55 -0.09 -0.06 0.00 0.00 0.00 0.00 60.65 61.05 1htl s ILE 39 Cb -0.19 -3.10 0.19 0.00 0.01 0.00 0.00 42.46 39.36 1htl s ILE 39 CO 0.19 0.42 0.84 0.21 0.00 0.00 0.00 174.94 176.61 1htl s ASN 40 N 0.74 -0.90 0.17 3.58 3.84 -0.61 -4.98 114.94 116.78 1htl s ASN 40 Ca 0.03 0.43 -0.15 0.00 0.21 0.00 0.00 52.86 53.38 1htl s ASN 40 Cb -0.13 1.71 0.13 0.00 -0.55 0.00 0.00 41.25 42.40 1htl s ASN 40 CO 0.02 -0.17 1.69 0.25 -2.79 0.00 0.00 177.10 176.10 1htl h LEU 41 N 7.90 -0.19 -0.44 3.21 5.85 -1.79 -1.23 115.31 128.61 1htl h LEU 41 Ca -0.14 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1htl h LEU 41 Cb 1.17 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 1htl h LEU 41 CO 0.05 -0.06 0.19 0.22 -0.34 0.00 0.00 178.44 178.50 1htl h TYR 42 N 0.10 0.66 -0.51 1.25 3.20 -1.79 -0.09 116.97 119.79 1htl h TYR 42 Ca 0.21 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 1htl h TYR 42 Cb 0.30 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 1htl h TYR 42 CO -0.29 0.55 0.09 -0.44 -1.64 0.00 0.00 178.16 176.44 1htl h ASP 43 N 0.57 0.75 0.41 -2.11 3.32 -1.80 -3.02 116.42 114.54 1htl h ASP 43 Ca 0.15 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1htl h ASP 43 Cb 0.16 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1htl h ASP 43 CO -0.02 0.76 -0.20 -0.74 -1.72 0.00 0.00 179.24 177.33 1htl h HIS 44 N 0.76 -0.51 -0.16 4.55 -0.00 -0.90 -2.96 115.15 115.93 1htl h HIS 44 Ca 0.16 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.57 1htl h HIS 44 Cb 0.33 0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.91 1htl h HIS 44 CO 0.02 -0.19 0.44 0.00 -0.00 0.00 0.00 177.93 178.20 1htl h ALA 45 N -0.46 1.68 0.00 5.26 0.00 -0.99 -1.19 119.26 123.55 1htl h ALA 45 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1htl h ALA 45 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1htl h ALA 45 CO 0.09 -0.52 -1.31 0.54 0.00 0.00 0.00 179.25 178.05 1htl n ARG 46 N -3.14 0.38 -1.81 0.00 1.74 -1.15 -4.47 116.66 108.22 1htl n ARG 46 Ca 0.02 -0.07 -0.29 0.00 -0.77 0.00 0.00 57.85 56.74 1htl n ARG 46 Cb 0.53 -1.48 0.10 0.00 -1.02 0.00 0.00 32.46 30.59 1htl n ARG 46 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1htl s GLY 47 N -3.44 1.59 -0.21 -0.13 0.00 -0.45 -5.10 107.32 99.57 1htl s GLY 47 Ca 0.02 -0.61 -0.11 0.00 0.00 0.00 0.00 44.72 44.02 1htl s GLY 47 CO 0.85 -0.11 0.50 -1.59 0.00 0.00 0.00 173.10 172.76 1htl s THR 48 N -3.50 -0.05 -0.07 0.90 2.01 -1.26 -4.82 115.64 108.85 1htl s THR 48 Ca 0.62 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.74 1htl s THR 48 Cb -0.12 -0.74 -0.01 0.00 0.01 0.00 0.00 72.50 71.64 1htl s THR 48 CO 0.50 0.03 -0.23 -1.10 -0.69 0.00 0.00 174.62 173.12 1htl s GLN 49 N 1.53 2.53 0.43 4.92 1.11 -1.26 -5.08 119.66 123.85 1htl s GLN 49 Ca -0.09 -0.85 -0.25 0.00 0.01 0.00 0.00 55.36 54.18 1htl s GLN 49 Cb -0.07 -2.09 -0.08 0.00 -1.01 0.00 0.00 33.01 29.76 1htl s GLN 49 CO -0.15 0.31 1.23 0.95 0.01 0.00 0.00 175.29 177.64 1htl s THR 50 N -0.01 2.86 -0.09 -0.19 -4.23 -1.26 -2.47 115.64 110.24 1htl s THR 50 Ca -0.07 0.71 0.00 0.00 -1.18 0.00 0.00 61.69 61.15 1htl s THR 50 Cb -0.14 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.30 1htl s THR 50 CO 0.05 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 1htl n GLY 51 N 0.61 0.27 3.23 3.99 0.00 -1.26 -4.96 105.19 107.08 1htl n GLY 51 Ca 0.05 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1htl n GLY 51 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1htl s PHE 52 N -1.45 -0.32 0.29 1.61 0.08 -1.03 -4.76 117.98 112.40 1htl s PHE 52 Ca 0.00 0.72 -0.28 0.00 0.12 0.00 0.00 56.93 57.49 1htl s PHE 52 Cb 0.00 0.12 -0.09 0.00 -0.57 0.00 0.00 43.02 42.47 1htl s PHE 52 CO 0.00 -0.24 0.95 0.08 -0.10 0.00 0.00 175.22 175.91 1htl s VAL 53 N -0.26 4.11 -0.28 -0.44 1.01 -1.26 -4.11 120.40 119.16 1htl s VAL 53 Ca -0.04 1.90 -0.25 0.00 0.00 0.00 0.00 61.98 63.60 1htl s VAL 53 Cb -0.03 -4.13 -0.11 0.00 0.00 0.00 0.00 36.38 32.11 1htl s VAL 53 CO 0.02 0.29 1.13 0.54 0.00 0.00 0.00 175.10 177.08 1htl n ARG 54 N 0.94 0.00 0.00 2.72 1.74 -1.26 -4.79 116.66 116.02 1htl n ARG 54 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1htl n ARG 54 Cb 0.49 -0.83 0.00 0.00 -1.02 0.00 0.00 32.46 31.10 1htl n ARG 54 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 1htl n TYR 55 N 3.80 0.00 -2.48 -1.55 4.11 -1.26 -1.92 117.16 117.87 1htl n TYR 55 Ca 0.28 -0.05 -0.25 0.00 -0.00 0.00 0.00 57.90 57.89 1htl n TYR 55 Cb -0.02 -0.00 0.04 0.00 -0.00 0.00 0.00 39.34 39.35 1htl n TYR 55 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1htl s ASP 56 N -0.10 5.35 -1.04 9.48 -1.08 -1.25 -0.31 116.67 127.73 1htl s ASP 56 Ca 0.00 0.43 -0.05 0.00 -0.52 0.00 0.00 52.55 52.41 1htl s ASP 56 Cb 0.00 -1.34 0.01 0.00 -1.46 0.00 0.00 42.92 40.12 1htl s ASP 56 CO 0.00 -1.17 0.68 0.47 0.52 0.00 0.00 175.17 175.67 1htl n ASP 57 N -2.55 -5.03 -0.12 -0.34 8.00 -1.26 -3.66 116.55 111.59 1htl n ASP 57 Ca 0.06 -0.31 -0.02 0.00 0.71 0.00 0.00 54.79 55.23 1htl n ASP 57 Cb 0.59 -3.74 -0.01 0.00 -0.02 0.00 0.00 41.12 37.94 1htl n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1htl n GLY 58 N -1.47 0.51 2.97 0.44 0.00 -1.06 -1.57 105.19 105.01 1htl n GLY 58 Ca -0.03 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 1htl n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1htl s TYR 59 N -1.91 0.43 -0.23 1.61 2.02 -1.24 -0.61 117.35 117.43 1htl s TYR 59 Ca 0.00 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 1htl s TYR 59 Cb 0.00 -0.27 0.03 0.00 -0.40 0.00 0.00 41.96 41.32 1htl s TYR 59 CO 0.00 -0.03 -0.12 0.08 -1.57 0.00 0.00 175.55 173.90 1htl s VAL 60 N -0.46 2.41 0.36 0.71 1.01 -1.02 -3.77 120.40 119.64 1htl s VAL 60 Ca -0.02 -1.14 -0.25 0.00 0.00 0.00 0.00 61.98 60.57 1htl s VAL 60 Cb -0.04 -2.20 -0.10 0.00 0.00 0.00 0.00 36.38 34.04 1htl s VAL 60 CO -0.00 0.27 0.98 -0.55 0.00 0.00 0.00 175.10 175.80 1htl s SER 61 N 1.26 7.09 0.05 3.32 0.15 -0.81 -1.28 113.70 123.48 1htl s SER 61 Ca -0.00 1.88 -0.01 0.00 0.70 0.00 0.00 55.95 58.52 1htl s SER 61 Cb -0.16 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.54 1htl s SER 61 CO -0.08 -0.25 -0.03 0.42 1.20 0.00 0.00 173.24 174.51 1htl s THR 62 N -1.71 0.21 0.29 6.45 -4.23 -1.08 -4.87 115.64 110.70 1htl s THR 62 Ca 0.54 -1.69 0.07 0.00 -1.18 0.00 0.00 61.69 59.44 1htl s THR 62 Cb -0.18 -1.35 -0.03 0.00 1.34 0.00 0.00 72.50 72.28 1htl s THR 62 CO 0.24 -0.93 0.24 -0.44 -0.54 0.00 0.00 174.62 173.18 1htl s SER 63 N -2.72 5.44 0.00 3.99 0.01 0.26 -0.96 113.70 119.72 1htl s SER 63 Ca 0.04 -0.35 0.28 0.00 1.31 0.00 0.00 55.95 57.24 1htl s SER 63 Cb 0.06 -1.23 1.16 0.00 0.21 0.00 0.00 66.02 66.22 1htl s SER 63 CO -0.09 -0.17 1.81 0.18 0.41 0.00 0.00 173.24 175.38 1htl n LEU 64 N -1.26 1.00 -3.86 2.44 4.32 -1.26 -0.97 117.00 117.41 1htl n LEU 64 Ca -0.05 -0.29 -0.10 0.00 -0.02 0.00 0.00 56.01 55.55 1htl n LEU 64 Cb 0.59 -0.05 -0.05 0.00 -1.62 0.00 0.00 43.42 42.28 1htl n LEU 64 CO 0.43 0.17 0.12 -0.94 -1.22 0.00 0.00 177.39 175.95 1htl s SER 65 N -2.17 -0.10 -0.01 -1.43 1.04 -1.26 -4.88 113.70 104.89 1htl s SER 65 Ca 0.36 -0.69 -0.22 0.00 0.48 0.00 0.00 55.95 55.88 1htl s SER 65 Cb 0.21 0.50 -0.22 0.00 0.10 0.00 0.00 66.02 66.61 1htl s SER 65 CO 0.40 -0.97 1.12 0.25 0.98 0.00 0.00 173.24 175.01 1htl h LEU 66 N 2.39 0.36 -1.55 2.42 5.85 -1.96 -0.59 115.31 122.22 1htl h LEU 66 Ca -0.30 -0.71 -0.01 0.00 0.84 0.00 0.00 57.88 57.70 1htl h LEU 66 Cb 1.24 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 1htl h LEU 66 CO 0.43 1.01 0.14 0.08 -0.34 0.00 0.00 178.44 179.77 1htl h ARG 67 N -0.27 0.44 -0.06 1.25 0.11 -1.98 0.27 114.38 114.14 1htl h ARG 67 Ca -0.03 -0.05 -0.07 0.00 0.10 0.00 0.00 59.98 59.93 1htl h ARG 67 Cb 1.04 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.03 1htl h ARG 67 CO 0.07 0.36 -0.24 0.77 0.10 0.00 0.00 179.97 181.02 1htl h SER 68 N 0.44 0.31 -0.94 0.08 0.02 -1.97 0.14 113.55 111.63 1htl h SER 68 Ca 0.11 -0.64 0.12 0.00 -0.84 0.00 0.00 61.79 60.54 1htl h SER 68 Cb 0.07 -0.09 -0.08 0.00 0.14 0.00 0.00 62.40 62.43 1htl h SER 68 CO -0.01 0.90 0.57 0.00 -1.14 0.00 0.00 176.83 177.15 1htl h ALA 69 N 0.42 1.41 -0.12 3.77 0.00 -0.49 0.19 119.26 124.44 1htl h ALA 69 Ca -0.01 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1htl h ALA 69 Cb 0.89 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1htl h ALA 69 CO 0.05 0.15 -0.30 1.25 0.00 0.00 0.00 179.25 180.39 1htl h HIS 70 N 0.89 0.54 -0.16 0.00 6.17 -0.42 -0.38 115.15 121.79 1htl h HIS 70 Ca 0.47 -0.21 0.05 0.00 0.71 0.00 0.00 60.37 61.40 1htl h HIS 70 Cb 0.50 -0.10 -0.06 0.00 2.52 0.00 0.00 27.41 30.27 1htl h HIS 70 CO -0.03 0.92 -0.28 -0.07 0.71 0.00 0.00 177.93 179.19 1htl h LEU 71 N 0.01 -0.87 -1.36 0.26 3.38 0.17 0.18 115.31 117.08 1htl h LEU 71 Ca -0.00 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1htl h LEU 71 Cb 0.91 0.38 -0.04 0.00 0.09 0.00 0.00 40.66 42.01 1htl h LEU 71 CO 0.07 -0.32 0.45 0.00 0.09 0.00 0.00 178.44 178.73 1htl h ALA 72 N 0.59 1.57 0.00 1.53 0.00 -0.98 -0.99 119.26 120.98 1htl h ALA 72 Ca 0.11 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1htl h ALA 72 Cb 0.50 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1htl h ALA 72 CO -0.35 0.37 -0.55 0.78 0.00 0.00 0.00 179.25 179.50 1htl h GLY 73 N 0.86 0.00 2.00 0.00 0.00 0.11 -2.99 103.07 103.05 1htl h GLY 73 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1htl h GLY 73 CO -0.07 0.00 0.00 1.46 0.00 0.00 0.00 176.54 177.93 1htl h GLN 74 N 0.00 0.00 0.00 4.80 1.08 0.68 0.34 115.11 122.02 1htl h GLN 74 Ca -0.01 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 1htl h GLN 74 Cb 0.99 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.42 1htl h GLN 74 CO 0.07 0.00 -0.47 0.77 -0.95 0.00 0.00 178.83 178.25 1htl h SER 75 N 0.00 0.00 -0.13 1.46 0.02 -1.45 -3.20 113.55 110.24 1htl h SER 75 Ca 0.00 -0.33 -0.21 0.00 -0.84 0.00 0.00 61.79 60.42 1htl h SER 75 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1htl h SER 75 CO 0.00 0.92 -0.69 0.40 -1.14 0.00 0.00 176.83 176.32 1htl h ILE 76 N -1.00 1.29 -0.28 3.27 2.04 -1.59 -3.32 117.51 117.92 1htl h ILE 76 Ca -0.09 -1.91 -0.14 0.00 1.00 0.00 0.00 64.86 63.72 1htl h ILE 76 Cb 0.68 1.88 -0.09 0.00 -0.74 0.00 0.00 36.82 38.55 1htl h ILE 76 CO -0.05 0.61 -0.17 0.18 0.00 0.00 0.00 178.15 178.72 1htl n LEU 77 N -3.95 3.85 -4.74 1.44 4.77 0.12 -4.21 117.00 114.29 1htl n LEU 77 Ca -0.06 -3.81 -0.42 0.00 -0.03 0.00 0.00 56.01 51.70 1htl n LEU 77 Cb 0.70 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1htl n LEU 77 CO 0.51 1.29 1.15 -0.55 -1.33 0.00 0.00 177.39 178.47 1htl s SER 78 N -2.68 6.61 0.00 -1.43 0.15 -1.21 -2.10 113.70 113.05 1htl s SER 78 Ca 0.43 2.66 0.00 0.00 0.70 0.00 0.00 55.95 59.75 1htl s SER 78 Cb 0.40 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1htl s SER 78 CO -0.02 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.28 1htl n GLY 79 N 2.71 2.69 3.46 9.45 0.00 -1.26 -4.98 105.19 117.27 1htl n GLY 79 Ca 0.09 -0.06 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 1htl n GLY 79 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1htl n TYR 80 N 0.00 1.26 -0.13 1.61 4.02 -0.89 -4.74 117.16 118.28 1htl n TYR 80 Ca 0.00 0.31 0.27 0.00 -0.01 0.00 0.00 57.90 58.47 1htl n TYR 80 Cb 0.00 -2.50 0.58 0.00 -0.02 0.00 0.00 39.34 37.41 1htl n TYR 80 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1htl h SER 81 N 13.59 0.00 -3.56 7.72 0.02 -1.91 -3.40 113.55 126.01 1htl h SER 81 Ca -0.19 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.68 1htl h SER 81 Cb 1.32 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.62 1htl h SER 81 CO 1.15 0.00 -0.13 -0.89 -1.14 0.00 0.00 176.83 175.82 1htl s THR 82 N -4.54 -0.01 0.20 -2.27 2.01 -1.26 -3.16 115.64 106.61 1htl s THR 82 Ca -0.03 0.03 -0.19 0.00 0.31 0.00 0.00 61.69 61.81 1htl s THR 82 Cb 0.16 -0.75 0.03 0.00 0.01 0.00 0.00 72.50 71.95 1htl s THR 82 CO 0.53 0.01 0.56 -0.72 -0.69 0.00 0.00 174.62 174.31 1htl s TYR 83 N 0.84 -0.19 0.23 4.92 -0.85 -1.10 -4.84 117.35 116.36 1htl s TYR 83 Ca -0.04 -0.15 0.11 0.00 -0.52 0.00 0.00 57.07 56.46 1htl s TYR 83 Cb -0.05 0.45 -0.05 0.00 0.38 0.00 0.00 41.96 42.69 1htl s TYR 83 CO -0.07 -0.94 -0.20 0.71 -1.52 0.00 0.00 175.55 173.53 1htl s TYR 84 N -3.86 2.13 -0.28 -3.49 1.51 -0.25 -1.16 117.35 111.96 1htl s TYR 84 Ca 0.08 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.74 1htl s TYR 84 Cb -0.02 -0.98 0.04 0.00 -0.11 0.00 0.00 41.96 40.89 1htl s TYR 84 CO -0.03 0.55 -0.04 0.42 -1.11 0.00 0.00 175.55 175.33 1htl s ILE 85 N -2.29 2.81 -0.14 2.71 1.01 -0.38 -1.17 121.20 123.74 1htl s ILE 85 Ca 0.24 -1.30 -0.23 0.00 0.00 0.00 0.00 60.65 59.37 1htl s ILE 85 Cb -0.05 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 1htl s ILE 85 CO 0.11 0.01 0.69 -0.31 0.00 0.00 0.00 174.94 175.45 1htl s TYR 86 N 1.25 3.46 -0.29 3.97 2.02 -0.38 -0.54 117.35 126.83 1htl s TYR 86 Ca -0.04 1.11 -0.15 0.00 -0.37 0.00 0.00 57.07 57.62 1htl s TYR 86 Cb -0.19 -2.84 -0.03 0.00 -0.40 0.00 0.00 41.96 38.50 1htl s TYR 86 CO -0.03 -0.09 0.35 0.08 -1.57 0.00 0.00 175.55 174.29 1htl s VAL 87 N 1.54 5.18 0.06 0.71 1.01 -0.71 -2.33 120.40 125.87 1htl s VAL 87 Ca 0.34 0.37 0.08 0.00 0.00 0.00 0.00 61.98 62.76 1htl s VAL 87 Cb -0.17 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1htl s VAL 87 CO 0.13 0.09 -0.21 -0.63 0.00 0.00 0.00 175.10 174.48 1htl s ILE 88 N 2.03 2.60 0.48 2.22 1.09 0.62 0.25 121.20 130.50 1htl s ILE 88 Ca 0.13 -1.32 -0.05 0.00 -1.10 0.00 0.00 60.65 58.31 1htl s ILE 88 Cb -0.16 -2.09 -0.04 0.00 -1.06 0.00 0.00 42.46 39.11 1htl s ILE 88 CO 0.11 0.30 0.79 0.00 -0.10 0.00 0.00 174.94 176.03 1htl s ALA 89 N -0.93 3.40 0.21 9.38 0.00 -0.99 0.21 121.76 133.03 1htl s ALA 89 Ca 0.14 -0.50 -0.28 0.00 0.00 0.00 0.00 51.96 51.32 1htl s ALA 89 Cb -0.10 -2.60 -0.08 0.00 0.00 0.00 0.00 23.12 20.34 1htl s ALA 89 CO 0.05 -0.36 0.88 0.95 0.00 0.00 0.00 175.76 177.29 1htl s THR 90 N -2.75 4.20 0.16 0.00 -4.23 -1.26 -4.79 115.64 106.97 1htl s THR 90 Ca 0.47 1.95 -0.16 0.00 -1.18 0.00 0.00 61.69 62.77 1htl s THR 90 Cb -0.10 -4.26 0.03 0.00 1.34 0.00 0.00 72.50 69.50 1htl s THR 90 CO 0.45 0.50 0.44 0.00 -0.54 0.00 0.00 174.62 175.47 1htl s ALA 91 N -1.10 -0.81 -0.98 3.99 0.00 -1.21 -4.08 121.76 117.56 1htl s ALA 91 Ca 0.39 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1htl s ALA 91 Cb -0.25 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.68 1htl s ALA 91 CO 0.30 -0.71 1.01 -2.30 0.00 0.00 0.00 175.76 174.05 1htl n PRO 92 N -0.27 0.00 -0.04 0.00 -0.02 -0.50 -1.49 135.00 132.68 1htl n PRO 92 Ca -0.12 0.50 0.08 0.00 -2.02 0.00 0.00 63.50 61.93 1htl n PRO 92 Cb 0.63 -1.51 0.36 0.00 -0.02 0.00 0.00 33.50 32.96 1htl n PRO 92 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1htl n ASN 93 N -1.51 0.69 -4.83 2.55 6.94 -1.26 -3.88 115.26 113.96 1htl n ASN 93 Ca -0.00 -1.67 -0.33 0.00 -0.02 0.00 0.00 54.58 52.56 1htl n ASN 93 Cb 0.00 -0.06 -0.06 0.00 -2.36 0.00 0.00 39.78 37.30 1htl n ASN 93 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1htl s MET 94 N -1.89 3.20 -0.05 -3.83 -1.94 -0.55 0.08 119.30 114.32 1htl s MET 94 Ca 0.24 -0.42 0.00 0.00 -1.71 0.00 0.00 55.69 53.81 1htl s MET 94 Cb 0.12 -2.95 0.02 0.00 2.01 0.00 0.00 34.83 34.03 1htl s MET 94 CO 0.18 0.66 -0.04 -0.06 -0.01 0.00 0.00 175.02 175.76 1htl s PHE 95 N -1.23 0.78 -0.40 -0.03 0.08 0.73 -0.76 117.98 117.15 1htl s PHE 95 Ca 0.24 -0.23 -0.29 0.00 0.12 0.00 0.00 56.93 56.77 1htl s PHE 95 Cb -0.12 -0.73 0.01 0.00 -0.57 0.00 0.00 43.02 41.60 1htl s PHE 95 CO 0.15 -0.24 1.45 1.21 -0.10 0.00 0.00 175.22 177.69 1htl s ASN 96 N 1.18 6.29 0.12 1.36 3.84 -1.26 -1.54 114.94 124.92 1htl s ASN 96 Ca -0.07 0.88 -0.32 0.00 0.21 0.00 0.00 52.86 53.56 1htl s ASN 96 Cb -0.14 -2.54 -0.12 0.00 -0.55 0.00 0.00 41.25 37.91 1htl s ASN 96 CO -0.01 -1.46 1.52 0.50 -2.79 0.00 0.00 177.10 174.86 1htl h LYS 97 N 10.92 -0.47 -0.99 0.43 3.64 -1.64 -0.82 116.57 127.64 1htl h LYS 97 Ca -0.28 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.28 1htl h LYS 97 Cb 1.11 0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 32.94 1htl h LYS 97 CO 1.08 -0.31 0.61 -0.91 -2.27 0.00 0.00 179.45 177.65 1htl h ASN 98 N -0.49 0.84 -0.23 4.20 4.21 -1.91 -0.45 115.58 121.76 1htl h ASN 98 Ca 0.05 0.07 -0.17 0.00 1.21 0.00 0.00 56.30 57.46 1htl h ASN 98 Cb 0.62 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 1htl h ASN 98 CO -0.48 0.38 -0.53 0.44 -1.29 0.00 0.00 177.43 175.96 1htl h ASP 99 N 0.87 0.87 0.18 5.81 3.32 -1.69 -0.34 116.42 125.44 1htl h ASP 99 Ca 0.53 -0.56 -0.22 0.00 0.02 0.00 0.00 57.03 56.80 1htl h ASP 99 Cb 0.68 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1htl h ASP 99 CO -0.32 1.26 -0.88 0.58 -1.72 0.00 0.00 179.24 178.16 1htl h VAL 100 N 0.51 1.35 0.00 -1.35 2.07 -0.74 -3.32 116.25 114.77 1htl h VAL 100 Ca 0.00 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.27 1htl h VAL 100 Cb 1.14 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1htl h VAL 100 CO 0.12 0.69 -0.62 0.18 0.02 0.00 0.00 177.57 177.95 1htl n LEU 101 N -3.82 0.60 0.00 2.57 4.77 -0.22 -4.75 117.00 116.15 1htl n LEU 101 Ca -0.07 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1htl n LEU 101 Cb 0.80 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1htl n LEU 101 CO 0.51 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1htl n GLY 102 N 1.48 2.64 0.00 -0.72 0.00 -0.14 -1.05 105.19 107.41 1htl n GLY 102 Ca 0.05 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 45.96 1htl n GLY 102 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1htl n VAL 103 N 0.00 0.00 -0.27 1.61 0.24 -1.26 -1.93 118.33 116.71 1htl n VAL 103 Ca 0.00 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.36 1htl n VAL 103 Cb 0.00 -0.50 0.16 0.00 -1.47 0.00 0.00 33.84 32.03 1htl n VAL 103 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1htl n TYR 104 N -0.76 0.51 -2.12 6.34 4.01 -0.22 -4.94 117.16 119.99 1htl n TYR 104 Ca 0.06 -0.55 -0.43 0.00 -0.16 0.00 0.00 57.90 56.83 1htl n TYR 104 Cb 0.03 -0.06 -0.02 0.00 -0.31 0.00 0.00 39.34 38.97 1htl n TYR 104 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1htl s SER 105 N -1.12 6.20 0.14 7.72 0.15 -0.81 -4.92 113.70 121.06 1htl s SER 105 Ca 0.25 1.36 -0.32 0.00 0.70 0.00 0.00 55.95 57.93 1htl s SER 105 Cb 0.15 -2.53 -0.10 0.00 -1.71 0.00 0.00 66.02 61.83 1htl s SER 105 CO 0.15 -1.45 1.55 -0.65 1.20 0.00 0.00 173.24 174.03 1htl h PRO 106 N 11.48 -0.26 -2.97 5.44 0.11 -1.91 -3.24 132.00 140.64 1htl h PRO 106 Ca -0.32 0.02 -0.68 0.00 0.11 0.00 0.00 66.00 65.13 1htl h PRO 106 Cb 1.15 0.06 -0.37 0.00 0.11 0.00 0.00 31.00 31.94 1htl h PRO 106 CO 1.03 -0.18 -0.20 0.72 -0.21 0.00 0.00 178.00 179.16 1htl n HIS 107 N -5.34 3.70 -0.27 0.65 8.25 -1.26 -4.94 115.22 116.01 1htl n HIS 107 Ca -0.02 -4.01 0.03 0.00 -0.26 0.00 0.00 57.72 53.46 1htl n HIS 107 Cb 0.32 -0.92 0.25 0.00 1.12 0.00 0.00 29.99 30.76 1htl n HIS 107 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1htl h PRO 108 N 5.40 0.98 0.00 -0.41 0.13 -1.96 -1.98 132.00 134.16 1htl h PRO 108 Ca 0.17 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1htl h PRO 108 Cb 0.74 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.65 1htl h PRO 108 CO 0.88 0.65 0.00 0.10 -0.23 0.00 0.00 178.00 179.40 1htl h TYR 109 N 1.01 0.00 -0.06 1.56 -0.00 -1.93 -3.23 116.97 114.32 1htl h TYR 109 Ca 0.35 0.00 -0.09 0.00 -0.00 0.00 0.00 58.73 58.99 1htl h TYR 109 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.85 1htl h TYR 109 CO -0.00 0.00 -0.31 1.49 -0.00 0.00 0.00 178.16 179.34 1htl h GLU 110 N 0.00 0.31 -5.03 0.10 4.57 -1.78 -3.50 114.58 109.26 1htl h GLU 110 Ca 0.00 -0.26 0.01 0.00 -1.18 0.00 0.00 59.36 57.93 1htl h GLU 110 Cb 0.36 0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 28.92 1htl h GLU 110 CO 0.00 0.91 -1.39 1.04 -1.18 0.00 0.00 179.01 178.39 1htl n GLN 111 N -4.44 -4.22 -4.11 1.92 6.02 -1.22 -4.99 117.38 106.34 1htl n GLN 111 Ca -0.08 3.23 -0.16 0.00 -0.01 0.00 0.00 57.00 59.98 1htl n GLN 111 Cb 0.50 -5.18 -0.12 0.00 1.02 0.00 0.00 30.24 26.46 1htl n GLN 111 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1htl s GLU 112 N -1.02 0.67 -0.45 -1.09 2.02 -1.26 -4.49 118.70 113.07 1htl s GLU 112 Ca -0.19 -0.85 -0.02 0.00 0.02 0.00 0.00 54.97 53.93 1htl s GLU 112 Cb 0.01 -0.55 0.12 0.00 0.10 0.00 0.00 34.13 33.81 1htl s GLU 112 CO 0.79 0.11 0.25 0.08 0.02 0.00 0.00 175.26 176.51 1htl s VAL 113 N -1.33 3.30 0.40 2.63 1.01 -0.13 -1.52 120.40 124.77 1htl s VAL 113 Ca -0.06 -2.29 -0.24 0.00 0.00 0.00 0.00 61.98 59.39 1htl s VAL 113 Cb -0.10 -3.25 -0.09 0.00 0.00 0.00 0.00 36.38 32.94 1htl s VAL 113 CO 0.01 -0.73 1.06 -0.44 0.00 0.00 0.00 175.10 175.00 1htl s SER 114 N 1.49 6.71 -0.15 3.32 0.01 -0.59 -2.64 113.70 121.85 1htl s SER 114 Ca 0.10 2.06 -0.01 0.00 1.31 0.00 0.00 55.95 59.41 1htl s SER 114 Cb -0.22 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.41 1htl s SER 114 CO -0.04 -0.53 -0.10 0.00 0.41 0.00 0.00 173.24 172.98 1htl s ALA 115 N -1.65 2.72 -0.18 1.44 0.00 -0.41 -0.19 121.76 123.48 1htl s ALA 115 Ca 0.58 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 51.33 1htl s ALA 115 Cb -0.22 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.52 1htl s ALA 115 CO 0.28 0.14 1.60 -1.17 0.00 0.00 0.00 175.76 176.62 1htl s LEU 116 N 0.52 4.01 0.00 0.00 2.96 0.11 -2.43 118.68 123.85 1htl s LEU 116 Ca -0.07 1.77 0.00 0.00 -0.22 0.00 0.00 54.13 55.61 1htl s LEU 116 Cb -0.15 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1htl s LEU 116 CO 0.04 -1.15 0.00 0.61 -1.32 0.00 0.00 176.35 174.53 1htl n GLY 117 N 4.47 2.50 0.00 7.98 0.00 0.22 -4.84 105.19 115.52 1htl n GLY 117 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1htl n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1htl n GLY 118 N -2.00 0.06 2.93 -0.02 0.00 -1.19 -4.52 105.19 100.45 1htl n GLY 118 Ca 0.00 -2.29 -0.30 0.00 0.00 0.00 0.00 46.02 43.43 1htl n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1htl s ILE 119 N -0.05 1.46 0.62 -0.61 1.01 -0.33 -4.88 121.20 118.41 1htl s ILE 119 Ca 0.00 -1.13 -0.19 0.00 0.00 0.00 0.00 60.65 59.34 1htl s ILE 119 Cb 0.00 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 1htl s ILE 119 CO 0.00 -0.06 1.19 -0.81 0.00 0.00 0.00 174.94 175.26 1htl n PRO 120 N 4.71 1.13 -0.11 2.79 -0.04 -1.26 -1.95 135.00 140.26 1htl n PRO 120 Ca -0.12 0.43 0.06 0.00 -0.04 0.00 0.00 63.50 63.83 1htl n PRO 120 Cb 0.45 -2.41 0.39 0.00 -0.04 0.00 0.00 33.50 31.89 1htl n PRO 120 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1htl h TYR 121 N 0.65 0.64 0.00 0.54 3.20 -0.19 -0.75 116.97 121.06 1htl h TYR 121 Ca -0.50 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.39 1htl h TYR 121 Cb 1.34 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.40 1htl h TYR 121 CO 0.40 0.36 0.00 -1.13 -1.64 0.00 0.00 178.16 176.16 1htl n SER 122 N -4.47 0.36 -0.18 -2.11 3.41 -1.26 -2.01 113.62 107.37 1htl n SER 122 Ca 0.08 0.61 0.11 0.00 -0.26 0.00 0.00 58.87 59.41 1htl n SER 122 Cb 0.18 -0.68 0.12 0.00 -0.26 0.00 0.00 64.21 63.57 1htl n SER 122 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1htl n GLN 123 N -1.92 0.49 -3.02 4.33 7.27 -0.29 -2.04 117.38 122.21 1htl n GLN 123 Ca 0.02 -0.36 -0.40 0.00 0.07 0.00 0.00 57.00 56.33 1htl n GLN 123 Cb 0.16 -1.49 -0.05 0.00 2.41 0.00 0.00 30.24 31.27 1htl n GLN 123 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1htl s ILE 124 N -2.75 4.98 -0.05 1.69 1.01 -0.85 -2.36 121.20 122.87 1htl s ILE 124 Ca 0.15 1.43 -0.19 0.00 0.00 0.00 0.00 60.65 62.05 1htl s ILE 124 Cb 0.18 -4.04 -0.13 0.00 0.01 0.00 0.00 42.46 38.47 1htl s ILE 124 CO 0.67 0.14 0.76 0.22 0.00 0.00 0.00 174.94 176.72 1htl h TYR 125 N 7.15 -0.24 -0.15 3.97 3.20 -0.53 -3.40 116.97 126.98 1htl h TYR 125 Ca -0.34 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.52 1htl h TYR 125 Cb 1.16 0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.51 1htl h TYR 125 CO 0.69 0.14 0.00 0.41 -1.64 0.00 0.00 178.16 177.75 1htl n GLY 126 N 0.68 1.73 3.63 1.82 0.00 -1.10 -0.82 105.19 111.14 1htl n GLY 126 Ca -0.07 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 1htl n GLY 126 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1htl s TRP 127 N -1.54 -0.41 -0.09 1.61 -2.14 0.01 -1.73 118.94 114.65 1htl s TRP 127 Ca 0.00 0.96 -0.10 0.00 2.66 0.00 0.00 56.10 59.62 1htl s TRP 127 Cb 0.00 0.39 -0.05 0.00 -3.10 0.00 0.00 33.47 30.71 1htl s TRP 127 CO 0.00 -0.23 0.23 0.71 -2.66 0.00 0.00 176.95 175.01 1htl s TYR 128 N -0.04 3.62 0.25 1.66 2.02 0.29 -1.40 117.35 123.76 1htl s TYR 128 Ca 0.03 0.67 -0.20 0.00 -0.37 0.00 0.00 57.07 57.20 1htl s TYR 128 Cb -0.04 -2.08 -0.08 0.00 -0.40 0.00 0.00 41.96 39.35 1htl s TYR 128 CO -0.06 0.66 0.75 0.50 -1.57 0.00 0.00 175.55 175.83 1htl s ARG 129 N -0.90 4.25 -0.23 -0.62 3.52 -1.26 -1.25 118.95 122.47 1htl s ARG 129 Ca 0.18 0.89 -0.00 0.00 -0.13 0.00 0.00 55.73 56.67 1htl s ARG 129 Cb -0.13 -2.81 0.06 0.00 -1.56 0.00 0.00 34.95 30.51 1htl s ARG 129 CO 0.07 0.35 -0.02 0.08 -0.81 0.00 0.00 175.30 174.96 1htl s VAL 130 N -1.59 1.30 -0.16 7.11 1.01 -0.31 -1.62 120.40 126.14 1htl s VAL 130 Ca 0.45 -1.12 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 1htl s VAL 130 Cb -0.16 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1htl s VAL 130 CO 0.21 -0.17 0.03 0.20 0.00 0.00 0.00 175.10 175.37 1htl s ASN 131 N 1.49 5.36 -1.33 3.32 -0.87 -0.87 -2.72 114.94 119.32 1htl s ASN 131 Ca -0.04 0.03 -0.07 0.00 -1.57 0.00 0.00 52.86 51.22 1htl s ASN 131 Cb -0.18 -1.87 0.04 0.00 -0.02 0.00 0.00 41.25 39.22 1htl s ASN 131 CO -0.08 0.19 0.46 0.49 -2.57 0.00 0.00 177.10 175.59 1htl n PHE 132 N 3.39 -1.79 -1.05 2.20 3.72 -1.19 0.43 117.46 123.17 1htl n PHE 132 Ca -0.17 0.42 -0.02 0.00 -0.05 0.00 0.00 57.45 57.63 1htl n PHE 132 Cb 0.52 -3.35 -0.01 0.00 -0.94 0.00 0.00 39.48 35.71 1htl n PHE 132 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1htl n GLY 133 N -1.22 0.51 3.10 1.37 0.00 -1.26 -4.99 105.19 102.71 1htl n GLY 133 Ca -0.06 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 1htl n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1htl s VAL 134 N -1.92 1.77 -0.28 1.61 1.01 0.17 -5.08 120.40 117.68 1htl s VAL 134 Ca 0.00 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 60.89 1htl s VAL 134 Cb 0.00 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 1htl s VAL 134 CO 0.00 0.49 1.69 -0.63 0.00 0.00 0.00 175.10 176.66 1htl s ILE 135 N 1.01 3.60 -0.36 2.22 1.01 -1.26 -2.05 121.20 125.36 1htl s ILE 135 Ca -0.04 0.64 -0.28 0.00 0.00 0.00 0.00 60.65 60.96 1htl s ILE 135 Cb -0.15 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 1htl s ILE 135 CO -0.04 -0.38 1.67 -0.62 0.00 0.00 0.00 174.94 175.57 1htl s ASP 136 N 5.10 6.03 0.00 3.58 -1.08 -0.64 -4.86 116.67 124.80 1htl s ASP 136 Ca 0.75 1.14 0.04 0.00 -0.52 0.00 0.00 52.55 53.96 1htl s ASP 136 Cb -0.23 -2.53 0.24 0.00 -1.46 0.00 0.00 42.92 38.94 1htl s ASP 136 CO 0.32 -1.62 0.60 -1.84 0.52 0.00 0.00 175.17 173.14 1htl n GLU 137 N 8.32 0.27 -3.57 4.34 0.28 -1.26 -4.24 120.64 124.78 1htl n GLU 137 Ca 0.21 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.80 1htl n GLU 137 Cb 0.47 -1.24 -0.10 0.00 1.43 0.00 0.00 31.44 32.01 1htl n GLU 137 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1htl s ARG 138 N -2.00 2.67 -0.01 3.44 1.81 -1.26 -5.04 118.95 118.56 1htl s ARG 138 Ca 0.06 -1.42 -0.30 0.00 -1.72 0.00 0.00 55.73 52.35 1htl s ARG 138 Cb 0.03 -3.83 -0.07 0.00 -0.45 0.00 0.00 34.95 30.63 1htl s ARG 138 CO 0.05 -0.95 1.76 -1.17 -0.68 0.00 0.00 175.30 174.31 1htl s LEU 139 N 1.46 4.37 -0.24 2.53 2.96 -1.26 -4.67 118.68 123.83 1htl s LEU 139 Ca 0.03 2.42 -0.22 0.00 -0.22 0.00 0.00 54.13 56.15 1htl s LEU 139 Cb -0.23 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.91 1htl s LEU 139 CO 0.03 -0.97 0.70 -1.00 -1.32 0.00 0.00 176.35 173.79 1htl s HIS 140 N 3.98 3.31 0.38 5.38 3.76 -0.49 -4.87 115.29 126.74 1htl s HIS 140 Ca 0.79 0.95 -0.19 0.00 -0.15 0.00 0.00 55.06 56.45 1htl s HIS 140 Cb -0.37 -2.90 -0.10 0.00 1.11 0.00 0.00 32.58 30.31 1htl s HIS 140 CO 0.34 -0.32 0.87 1.03 -0.85 0.00 0.00 174.74 175.81 1htl s ARG 141 N 2.49 4.17 -0.39 1.40 0.52 -1.26 -0.81 118.95 125.05 1htl s ARG 141 Ca 0.30 0.96 -0.15 0.00 -0.52 0.00 0.00 55.73 56.31 1htl s ARG 141 Cb -0.16 -2.32 0.01 0.00 0.52 0.00 0.00 34.95 33.01 1htl s ARG 141 CO 0.09 0.06 0.33 1.21 0.02 0.00 0.00 175.30 177.01 1htl s ASN 142 N -2.17 6.13 0.36 0.23 2.47 -0.00 -4.93 114.94 117.02 1htl s ASN 142 Ca 0.58 -0.70 0.27 0.00 0.42 0.00 0.00 52.86 53.43 1htl s ASN 142 Cb -0.10 -2.18 1.21 0.00 -1.45 0.00 0.00 41.25 38.73 1htl s ASN 142 CO 0.15 -0.44 1.80 0.08 -3.72 0.00 0.00 177.10 174.98 1htl h ARG 143 N 8.61 0.00 -0.23 0.43 -0.00 -1.92 -2.21 114.38 119.07 1htl h ARG 143 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.70 1htl h ARG 143 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.10 1htl h ARG 143 CO 0.73 0.00 0.00 0.39 -0.00 0.00 0.00 179.97 181.09 1htl n GLU 144 N -2.46 2.19 -1.98 0.08 1.02 -1.26 -4.92 120.64 113.31 1htl n GLU 144 Ca 0.01 -1.78 -0.42 0.00 -0.02 0.00 0.00 57.16 54.94 1htl n GLU 144 Cb 0.19 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.11 1htl n GLU 144 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1htl s TYR 145 N -1.72 2.75 -0.95 -0.32 5.04 -0.83 -4.50 117.35 116.82 1htl s TYR 145 Ca 0.35 0.53 -0.18 0.00 -2.44 0.00 0.00 57.07 55.33 1htl s TYR 145 Cb 0.21 -3.89 0.15 0.00 0.35 0.00 0.00 41.96 38.77 1htl s TYR 145 CO 0.30 -3.43 1.11 1.03 -1.34 0.00 0.00 175.55 173.22 1htl s ARG 146 N 1.98 3.66 0.14 4.97 0.52 -0.86 -4.88 118.95 124.48 1htl s ARG 146 Ca 0.71 -1.95 -0.17 0.00 -0.52 0.00 0.00 55.73 53.80 1htl s ARG 146 Cb -0.40 -4.87 -0.01 0.00 0.52 0.00 0.00 34.95 30.20 1htl s ARG 146 CO 0.31 -1.71 1.80 0.22 0.02 0.00 0.00 175.30 175.94 1htl h ASP 147 N 8.52 0.42 0.14 0.23 1.82 -1.91 -0.85 116.42 124.79 1htl h ASP 147 Ca 0.17 -0.02 -0.08 0.00 -0.39 0.00 0.00 57.03 56.70 1htl h ASP 147 Cb 1.01 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.90 1htl h ASP 147 CO 1.08 0.32 -0.28 -0.09 -1.61 0.00 0.00 179.24 178.65 1htl h ARG 148 N 0.48 0.24 0.03 0.28 2.43 -2.00 -0.23 114.38 115.62 1htl h ARG 148 Ca 0.13 -0.09 -0.14 0.00 -0.81 0.00 0.00 59.98 59.07 1htl h ARG 148 Cb -0.04 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1htl h ARG 148 CO -0.03 0.52 -0.58 -0.92 -1.51 0.00 0.00 179.97 177.45 1htl h TYR 149 N 0.22 0.53 -0.00 2.20 3.20 -1.91 -3.33 116.97 117.88 1htl h TYR 149 Ca 0.03 -0.31 0.00 0.00 3.14 0.00 0.00 58.73 61.59 1htl h TYR 149 Cb 0.62 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1htl h TYR 149 CO 0.01 1.15 -0.15 0.66 -1.64 0.00 0.00 178.16 178.19 1htl n TYR 150 N -4.25 0.00 -0.16 -3.82 4.01 -0.35 -3.87 117.16 108.73 1htl n TYR 150 Ca -0.11 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.52 1htl n TYR 150 Cb 0.68 -0.29 0.01 0.00 -0.31 0.00 0.00 39.34 39.43 1htl n TYR 150 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1htl h ARG 151 N 0.26 0.99 0.03 -0.72 2.43 -1.14 -3.28 114.38 112.95 1htl h ARG 151 Ca 0.00 -0.41 -0.27 0.00 -0.81 0.00 0.00 59.98 58.49 1htl h ARG 151 Cb 0.42 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1htl h ARG 151 CO 0.00 1.09 -1.42 -2.95 -1.51 0.00 0.00 179.97 175.18 1htl h ASN 152 N 0.86 0.09 -4.25 -3.80 -1.07 -1.73 -3.48 115.58 102.20 1htl h ASN 152 Ca 0.11 -0.13 -0.51 0.00 0.07 0.00 0.00 56.30 55.84 1htl h ASN 152 Cb 0.77 -0.03 0.13 0.00 -2.07 0.00 0.00 38.32 37.12 1htl h ASN 152 CO 0.06 1.11 0.34 -0.76 0.07 0.00 0.00 177.43 178.25 1htl s LEU 153 N -6.52 3.20 0.30 6.14 1.43 -1.24 -5.07 118.68 116.92 1htl s LEU 153 Ca -0.04 1.98 0.03 0.00 -1.03 0.00 0.00 54.13 55.07 1htl s LEU 153 Cb 0.08 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.72 1htl s LEU 153 CO 0.83 -1.98 0.13 0.21 0.23 0.00 0.00 176.35 175.77 1htl s ASN 154 N -2.85 1.62 0.79 2.29 3.84 -1.26 -4.59 114.94 114.77 1htl s ASN 154 Ca 0.65 -1.49 -0.14 0.00 0.21 0.00 0.00 52.86 52.09 1htl s ASN 154 Cb -0.20 0.28 0.07 0.00 -0.55 0.00 0.00 41.25 40.85 1htl s ASN 154 CO 0.49 -0.81 1.21 -0.63 -2.79 0.00 0.00 177.10 174.57 1htl s ILE 155 N -3.59 2.10 0.02 -5.21 1.01 -1.26 -1.41 121.20 112.86 1htl s ILE 155 Ca 0.35 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.75 1htl s ILE 155 Cb 0.06 -2.50 -0.06 0.00 0.01 0.00 0.00 42.46 39.97 1htl s ILE 155 CO 0.16 -0.03 1.35 0.00 0.00 0.00 0.00 174.94 176.42 1htl s ALA 156 N -2.10 3.55 0.43 9.38 0.00 0.06 -4.67 121.76 128.41 1htl s ALA 156 Ca 0.74 0.88 -0.25 0.00 0.00 0.00 0.00 51.96 53.33 1htl s ALA 156 Cb -0.29 -3.56 -0.08 0.00 0.00 0.00 0.00 23.12 19.19 1htl s ALA 156 CO 0.49 -0.79 1.31 -1.25 0.00 0.00 0.00 175.76 175.52 1htl s PRO 157 N 2.02 3.85 0.41 0.00 0.04 -1.26 -4.50 135.00 135.55 1htl s PRO 157 Ca 0.62 2.17 0.23 0.00 0.04 0.00 0.00 61.00 64.06 1htl s PRO 157 Cb -0.31 -2.67 1.25 0.00 0.04 0.00 0.00 34.50 32.80 1htl s PRO 157 CO 0.27 -0.60 1.69 0.00 0.04 0.00 0.00 177.00 178.40 1htl h ALA 158 N 2.48 2.41 0.00 8.56 0.00 -1.93 -1.39 119.26 129.39 1htl h ALA 158 Ca -0.50 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1htl h ALA 158 Cb 1.25 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1htl h ALA 158 CO 0.62 -0.95 0.00 0.39 0.00 0.00 0.00 179.25 179.31 1htl n GLU 159 N -4.73 0.05 -0.00 0.00 4.71 -1.26 -0.77 120.64 118.64 1htl n GLU 159 Ca 0.32 0.17 0.07 0.00 -0.01 0.00 0.00 57.16 57.70 1htl n GLU 159 Cb 1.14 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 29.99 1htl n GLU 159 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1htl n ASP 160 N -1.18 0.86 -0.02 1.62 8.00 -0.52 -4.61 116.55 120.69 1htl n ASP 160 Ca 0.01 -0.67 0.06 0.00 0.71 0.00 0.00 54.79 54.90 1htl n ASP 160 Cb 0.01 1.12 -0.14 0.00 -0.02 0.00 0.00 41.12 42.10 1htl n ASP 160 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1htl n GLY 161 N 1.39 -0.84 0.31 0.44 0.00 0.05 -4.57 105.19 101.98 1htl n GLY 161 Ca 0.02 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.76 1htl n GLY 161 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1htl h TYR 162 N 0.00 0.48 0.00 1.61 0.05 -1.75 1.50 116.97 118.87 1htl h TYR 162 Ca -0.10 0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 1htl h TYR 162 Cb 1.09 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 38.75 1htl h TYR 162 CO 0.00 -0.13 -0.11 0.07 -1.05 0.00 0.00 178.16 176.94 1htl h ARG 163 N 0.29 0.00 -0.03 4.88 0.11 -1.81 -1.89 114.38 115.94 1htl h ARG 163 Ca 0.55 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.63 1htl h ARG 163 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 1htl h ARG 163 CO -0.59 0.11 0.00 1.28 0.10 0.00 0.00 179.97 180.87 1htl n LEU 164 N -3.41 2.28 0.33 0.08 4.77 0.49 -4.41 117.00 117.14 1htl n LEU 164 Ca -0.01 -0.77 0.12 0.00 -0.03 0.00 0.00 56.01 55.32 1htl n LEU 164 Cb 0.28 -0.01 0.65 0.00 -2.33 0.00 0.00 43.42 42.01 1htl n LEU 164 CO 0.29 0.39 1.10 0.00 -1.33 0.00 0.00 177.39 177.83 1htl h ALA 165 N 4.53 1.47 -0.02 -1.18 0.00 -0.09 -3.34 119.26 120.63 1htl h ALA 165 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1htl h ALA 165 Cb 0.76 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1htl h ALA 165 CO 0.00 -0.47 -0.01 0.41 0.00 0.00 0.00 179.25 179.18 1htl n GLY 166 N -1.28 0.08 3.63 0.00 0.00 -1.26 -2.81 105.19 103.56 1htl n GLY 166 Ca -0.02 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1htl n GLY 166 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1htl n PHE 167 N -2.09 0.86 -1.64 1.61 3.72 -1.26 -4.65 117.46 114.01 1htl n PHE 167 Ca -0.00 0.40 -0.29 0.00 -0.05 0.00 0.00 57.45 57.50 1htl n PHE 167 Cb 0.46 -2.11 0.10 0.00 -0.94 0.00 0.00 39.48 36.99 1htl n PHE 167 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1htl s PRO 168 N -3.29 1.87 0.18 -1.08 0.04 -1.26 -4.93 135.00 126.53 1htl s PRO 168 Ca 0.75 0.43 -0.17 0.00 0.04 0.00 0.00 61.00 62.05 1htl s PRO 168 Cb -0.36 -1.91 0.12 0.00 0.04 0.00 0.00 34.50 32.39 1htl s PRO 168 CO 0.48 -1.72 1.65 -1.00 0.04 0.00 0.00 177.00 176.45 1htl h PRO 169 N -1.16 -0.05 0.00 0.56 0.13 -1.94 -1.80 132.00 127.75 1htl h PRO 169 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1htl h PRO 169 Cb 1.29 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1htl h PRO 169 CO 0.62 -0.03 0.00 -0.40 -0.23 0.00 0.00 178.00 177.95 1htl n ASP 170 N -5.36 0.00 -4.69 1.44 5.68 -1.26 -2.79 116.55 109.57 1htl n ASP 170 Ca 0.03 0.36 -0.44 0.00 -0.50 0.00 0.00 54.79 54.24 1htl n ASP 170 Cb 0.27 -0.43 -0.03 0.00 -1.14 0.00 0.00 41.12 39.78 1htl n ASP 170 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1htl n HIS 171 N -1.43 2.46 -0.36 2.11 -0.00 -0.68 -4.87 115.22 112.45 1htl n HIS 171 Ca 0.04 0.22 0.07 0.00 0.46 0.00 0.00 57.72 58.52 1htl n HIS 171 Cb 0.14 -2.58 0.24 0.00 -0.12 0.00 0.00 29.99 27.67 1htl n HIS 171 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 1htl h GLN 172 N 5.85 0.95 -0.63 1.57 4.15 -1.89 -2.52 115.11 122.59 1htl h GLN 172 Ca -0.45 -0.06 0.13 0.00 0.77 0.00 0.00 58.65 59.05 1htl h GLN 172 Cb 1.24 -0.21 -0.11 0.00 0.21 0.00 0.00 27.48 28.60 1htl h GLN 172 CO 0.88 0.63 -0.03 0.00 -1.93 0.00 0.00 178.83 178.38 1htl h ALA 173 N 1.54 0.58 -0.15 3.38 0.00 -1.92 0.27 119.26 122.96 1htl h ALA 173 Ca 0.50 0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.66 1htl h ALA 173 Cb 0.51 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1htl h ALA 173 CO -0.27 -0.40 0.30 -1.49 0.00 0.00 0.00 179.25 177.38 1htl h TRP 174 N 0.09 0.00 -0.01 0.00 -0.00 -1.80 -0.39 115.95 113.83 1htl h TRP 174 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.22 1htl h TRP 174 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.69 1htl h TRP 174 CO -0.40 0.00 -0.27 0.54 -0.00 0.00 0.00 178.44 178.31 1htl n ARG 175 N -3.34 1.31 -4.51 0.49 3.00 0.07 -3.63 116.66 110.06 1htl n ARG 175 Ca 0.01 -0.96 -0.25 0.00 -0.01 0.00 0.00 57.85 56.64 1htl n ARG 175 Cb 0.40 -1.48 -0.08 0.00 0.00 0.00 0.00 32.46 31.30 1htl n ARG 175 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1htl s GLU 176 N -2.35 1.90 0.30 5.56 -1.05 -0.16 -4.90 118.70 118.00 1htl s GLU 176 Ca 0.24 -2.15 -0.28 0.00 -0.15 0.00 0.00 54.97 52.64 1htl s GLU 176 Cb 0.19 -0.63 -0.09 0.00 -0.44 0.00 0.00 34.13 33.16 1htl s GLU 176 CO 0.48 -0.45 0.99 -1.21 0.95 0.00 0.00 175.26 176.02 1htl s GLU 177 N -3.73 4.63 0.00 -4.83 2.02 -1.26 -1.64 118.70 113.89 1htl s GLU 177 Ca 0.25 1.50 0.26 0.00 0.02 0.00 0.00 54.97 56.99 1htl s GLU 177 Cb 0.03 -3.00 0.56 0.00 0.10 0.00 0.00 34.13 31.82 1htl s GLU 177 CO 0.15 0.29 1.45 -0.35 0.02 0.00 0.00 175.26 176.81 1htl n PRO 178 N 0.90 1.37 -0.24 0.39 -0.04 -1.26 -4.95 135.00 131.17 1htl n PRO 178 Ca 0.00 -0.96 0.06 0.00 -0.04 0.00 0.00 63.50 62.57 1htl n PRO 178 Cb 0.48 -1.48 0.32 0.00 -0.04 0.00 0.00 33.50 32.78 1htl n PRO 178 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1htl h TRP 179 N 2.34 0.87 -1.06 0.54 6.55 -1.71 -3.07 115.95 120.42 1htl h TRP 179 Ca 0.00 0.02 0.28 0.00 0.95 0.00 0.00 58.89 60.14 1htl h TRP 179 Cb 0.64 -0.28 -0.10 0.00 -0.86 0.00 0.00 29.16 28.56 1htl h TRP 179 CO 0.00 0.44 0.68 -0.84 -1.05 0.00 0.00 178.44 177.67 1htl h ILE 180 N 0.84 0.49 0.00 1.49 3.07 -1.37 -1.38 117.51 120.65 1htl h ILE 180 Ca 0.36 -0.13 0.00 0.00 1.55 0.00 0.00 64.86 66.64 1htl h ILE 180 Cb 0.31 0.09 0.00 0.00 -0.27 0.00 0.00 36.82 36.95 1htl h ILE 180 CO -0.13 0.07 0.00 1.41 -1.05 0.00 0.00 178.15 178.44 1htl n HIS 181 N -4.64 0.72 -1.36 0.16 8.25 -1.16 -3.35 115.22 113.85 1htl n HIS 181 Ca 0.26 0.28 0.04 0.00 -0.26 0.00 0.00 57.72 58.03 1htl n HIS 181 Cb 0.92 -0.95 0.05 0.00 1.12 0.00 0.00 29.99 31.13 1htl n HIS 181 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1htl n HIS 182 N -2.15 0.00 -2.01 4.41 8.25 -0.55 -5.08 115.22 118.08 1htl n HIS 182 Ca 0.03 -0.41 -0.42 0.00 -0.26 0.00 0.00 57.72 56.65 1htl n HIS 182 Cb 0.24 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 1htl n HIS 182 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1htl s ALA 183 N -1.14 3.66 1.33 -1.41 0.00 -0.99 -3.99 121.76 119.22 1htl s ALA 183 Ca 0.12 1.13 -0.18 0.00 0.00 0.00 0.00 51.96 53.02 1htl s ALA 183 Cb 0.10 -3.66 0.34 0.00 0.00 0.00 0.00 23.12 19.90 1htl s ALA 183 CO 0.01 -1.02 0.96 -2.14 0.00 0.00 0.00 175.76 173.57 1htl s PRO 184 N 2.46 -2.20 0.00 0.00 0.02 -1.26 -4.89 135.00 129.13 1htl s PRO 184 Ca 0.71 0.50 -0.30 0.00 0.02 0.00 0.00 61.00 61.93 1htl s PRO 184 Cb -0.38 -1.43 -0.05 0.00 0.02 0.00 0.00 34.50 32.66 1htl s PRO 184 CO 0.31 -4.48 1.27 -0.65 -0.33 0.00 0.00 177.00 173.12 1htl s GLN 185 N -4.70 4.35 0.00 5.54 -1.52 -1.26 -2.84 119.66 119.23 1htl s GLN 185 Ca 0.69 1.82 0.00 0.00 -1.95 0.00 0.00 55.36 55.91 1htl s GLN 185 Cb -0.20 -3.49 0.00 0.00 -0.22 0.00 0.00 33.01 29.11 1htl s GLN 185 CO 0.62 -0.44 0.00 0.41 -0.25 0.00 0.00 175.29 175.64 1htl n GLY 186 N 3.42 0.44 3.65 3.09 0.00 -1.26 -5.07 105.19 109.47 1htl n GLY 186 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1htl n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32