#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h1t s LYS 3 N 0.00 3.67 -0.22 2.61 2.47 -1.26 -4.95 119.74 122.07 1h1t s LYS 3 Ca 0.00 2.04 -0.05 0.00 -1.56 0.00 0.00 55.97 56.40 1h1t s LYS 3 Cb 0.00 -4.18 -0.02 0.00 -1.46 0.00 0.00 37.83 32.17 1h1t s LYS 3 CO 0.00 -1.47 0.00 1.03 0.16 0.00 0.00 175.35 175.08 1h1t s ARG 4 N 5.16 3.55 0.18 4.03 0.52 -1.26 -2.19 118.95 128.94 1h1t s ARG 4 Ca 0.86 -0.54 0.09 0.00 -0.52 0.00 0.00 55.73 55.61 1h1t s ARG 4 Cb -0.32 -3.11 -0.04 0.00 0.52 0.00 0.00 34.95 32.00 1h1t s ARG 4 CO 0.35 -0.09 -0.11 0.00 0.02 0.00 0.00 175.30 175.47 1h1t s ALA 5 N 1.26 2.90 -0.05 2.13 0.00 0.20 -1.38 121.76 126.81 1h1t s ALA 5 Ca 0.04 -1.48 0.05 0.00 0.00 0.00 0.00 51.96 50.56 1h1t s ALA 5 Cb -0.15 -0.69 -0.00 0.00 0.00 0.00 0.00 23.12 22.28 1h1t s ALA 5 CO 0.01 0.47 -0.20 -1.50 0.00 0.00 0.00 175.76 174.54 1h1t s ILE 6 N -1.68 1.63 -0.50 0.00 2.07 0.37 -0.35 121.20 122.74 1h1t s ILE 6 Ca 0.24 -0.83 0.03 0.00 -1.41 0.00 0.00 60.65 58.69 1h1t s ILE 6 Cb -0.09 -1.40 0.13 0.00 0.13 0.00 0.00 42.46 41.23 1h1t s ILE 6 CO 0.14 0.46 0.26 -0.47 -1.91 0.00 0.00 174.94 173.43 1h1t s TYR 7 N 0.03 2.82 0.33 3.50 5.04 0.54 -0.20 117.35 129.40 1h1t s TYR 7 Ca -0.05 -2.95 -0.07 0.00 -2.44 0.00 0.00 57.07 51.55 1h1t s TYR 7 Cb -0.13 -2.53 -0.06 0.00 0.35 0.00 0.00 41.96 39.60 1h1t s TYR 7 CO 0.03 -0.75 0.63 -1.25 -1.34 0.00 0.00 175.55 172.87 1h1t s PRO 8 N -0.13 3.70 0.00 4.97 0.04 -1.26 -1.75 135.00 140.57 1h1t s PRO 8 Ca 0.17 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1h1t s PRO 8 Cb -0.25 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1h1t s PRO 8 CO -0.00 0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.58 1h1t n GLY 9 N -1.00 -1.57 0.09 0.56 0.00 -0.65 -4.95 105.19 97.66 1h1t n GLY 9 Ca -0.00 -1.06 -0.05 0.00 0.00 0.00 0.00 46.02 44.91 1h1t n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h1t n THR 10 N 0.82 1.39 -4.07 2.61 -2.24 -1.26 -1.05 114.28 110.48 1h1t n THR 10 Ca 0.00 -0.76 -0.46 0.00 -2.27 0.00 0.00 64.05 60.56 1h1t n THR 10 Cb 0.00 -0.82 0.02 0.00 -2.10 0.00 0.00 70.33 67.43 1h1t n THR 10 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1h1t n PHE 11 N -2.92 -1.42 -3.78 4.78 3.01 -1.26 -4.66 117.46 111.20 1h1t n PHE 11 Ca -0.16 0.10 -0.28 0.00 1.01 0.00 0.00 57.45 58.12 1h1t n PHE 11 Cb 0.98 -2.77 -0.11 0.00 -0.01 0.00 0.00 39.48 37.57 1h1t n PHE 11 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1h1t n ASP 12 N -2.17 3.14 -5.00 4.37 2.03 -1.26 -3.13 116.55 114.54 1h1t n ASP 12 Ca -0.12 -3.25 -0.20 0.00 0.52 0.00 0.00 54.79 51.73 1h1t n ASP 12 Cb 0.57 -0.74 0.07 0.00 -0.72 0.00 0.00 41.12 40.30 1h1t n ASP 12 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1h1t s PRO 13 N -1.68 2.23 0.28 -0.67 0.04 -1.26 -4.78 135.00 129.16 1h1t s PRO 13 Ca 0.28 -1.60 -0.29 0.00 0.04 0.00 0.00 61.00 59.43 1h1t s PRO 13 Cb 0.00 -2.62 -0.10 0.00 0.04 0.00 0.00 34.50 31.83 1h1t s PRO 13 CO -0.14 -0.93 1.20 -1.50 0.04 0.00 0.00 177.00 175.67 1h1t s ILE 14 N -2.72 3.22 0.47 0.56 2.07 -1.18 -4.90 121.20 118.71 1h1t s ILE 14 Ca 0.62 1.18 0.03 0.00 -1.41 0.00 0.00 60.65 61.08 1h1t s ILE 14 Cb -0.06 -3.75 -0.04 0.00 0.13 0.00 0.00 42.46 38.74 1h1t s ILE 14 CO 0.40 0.26 0.01 0.42 -1.91 0.00 0.00 174.94 174.12 1h1t s THR 15 N -0.92 1.40 0.50 4.00 -4.23 -1.26 -4.61 115.64 110.52 1h1t s THR 15 Ca 0.48 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.22 1h1t s THR 15 Cb -0.35 -2.47 0.28 0.00 1.34 0.00 0.00 72.50 71.30 1h1t s THR 15 CO 0.44 0.00 2.13 0.78 -0.54 0.00 0.00 174.62 177.43 1h1t h ASN 16 N 1.54 0.00 -0.58 3.99 2.35 -1.19 -1.08 115.58 120.61 1h1t h ASN 16 Ca -0.43 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.21 1h1t h ASN 16 Cb 1.29 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.64 1h1t h ASN 16 CO 0.75 0.08 -0.06 1.23 -1.65 0.00 0.00 177.43 177.78 1h1t h GLY 17 N 0.34 1.14 1.17 2.83 0.00 -1.90 0.04 103.07 106.69 1h1t h GLY 17 Ca -0.00 -0.89 -0.14 0.00 0.00 0.00 0.00 47.33 46.30 1h1t h GLY 17 CO 0.01 0.81 -0.31 0.45 0.00 0.00 0.00 176.54 177.51 1h1t h HIS 18 N 0.95 1.09 -0.73 5.60 3.86 -1.63 -2.12 115.15 122.17 1h1t h HIS 18 Ca 0.16 -0.30 -0.05 0.00 -1.16 0.00 0.00 60.37 59.02 1h1t h HIS 18 Cb 0.63 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.82 1h1t h HIS 18 CO 0.04 1.11 0.26 0.82 0.86 0.00 0.00 177.93 181.03 1h1t h ILE 19 N 0.78 1.25 0.20 2.45 1.08 -1.05 -0.58 117.51 121.64 1h1t h ILE 19 Ca 0.08 -0.83 -0.01 0.00 -0.39 0.00 0.00 64.86 63.71 1h1t h ILE 19 Cb 0.88 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 35.05 1h1t h ILE 19 CO 0.08 0.33 -0.09 -0.78 -0.69 0.00 0.00 178.15 177.00 1h1t h ASP 20 N 1.06 -0.22 -0.25 1.72 1.82 -0.77 -1.47 116.42 118.32 1h1t h ASP 20 Ca 0.24 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.88 1h1t h ASP 20 Cb 0.24 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.30 1h1t h ASP 20 CO -0.02 -0.16 0.12 0.40 -1.61 0.00 0.00 179.24 177.98 1h1t h ILE 21 N -0.27 1.14 -0.05 2.25 1.08 -1.13 -2.15 117.51 118.37 1h1t h ILE 21 Ca -0.03 -0.39 -0.06 0.00 -0.39 0.00 0.00 64.86 63.99 1h1t h ILE 21 Cb 0.21 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 34.89 1h1t h ILE 21 CO 0.04 0.14 -0.24 1.62 -0.69 0.00 0.00 178.15 179.03 1h1t h VAL 22 N 0.27 1.20 -0.37 1.67 3.04 -1.07 -1.35 116.25 119.64 1h1t h VAL 22 Ca 0.09 -0.91 -0.09 0.00 -1.01 0.00 0.00 66.70 64.77 1h1t h VAL 22 Cb 0.11 1.42 -0.01 0.00 -2.01 0.00 0.00 31.29 30.80 1h1t h VAL 22 CO -0.01 0.27 -0.13 0.74 -1.01 0.00 0.00 177.57 177.42 1h1t h THR 23 N 0.08 1.28 -0.59 3.17 2.02 -1.03 -1.26 112.91 116.59 1h1t h THR 23 Ca 0.01 -1.24 -0.06 0.00 0.77 0.00 0.00 66.41 65.89 1h1t h THR 23 Cb 0.47 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 1h1t h THR 23 CO 0.03 0.41 0.11 0.03 0.37 0.00 0.00 175.52 176.47 1h1t h ARG 24 N 0.53 0.94 -0.59 6.66 3.08 -0.95 -2.79 114.38 121.25 1h1t h ARG 24 Ca 0.09 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 1h1t h ARG 24 Cb 0.66 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 1h1t h ARG 24 CO 0.05 0.86 0.20 0.00 -1.07 0.00 0.00 179.97 180.00 1h1t h ALA 25 N 1.22 0.77 0.00 0.04 0.00 -1.01 -2.34 119.26 117.95 1h1t h ALA 25 Ca 0.19 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1h1t h ALA 25 Cb 0.37 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1h1t h ALA 25 CO 0.01 0.42 -0.00 1.79 0.00 0.00 0.00 179.25 181.47 1h1t h THR 26 N 0.83 0.02 0.00 0.00 1.35 -0.98 -1.04 112.91 113.10 1h1t h THR 26 Ca 0.19 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1h1t h THR 26 Cb 0.27 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 1h1t h THR 26 CO -0.01 0.00 -0.07 1.56 -0.25 0.00 0.00 175.52 176.75 1h1t h GLN 27 N 0.00 0.00 0.00 4.72 4.20 -1.18 -3.35 115.11 119.50 1h1t h GLN 27 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1h1t h GLN 27 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1h1t h GLN 27 CO 0.00 0.00 -0.75 0.00 -0.67 0.00 0.00 178.83 177.41 1h1t n MET 28 N -2.70 2.70 -4.63 1.46 0.00 -0.77 -5.03 117.12 108.15 1h1t n MET 28 Ca 0.04 -0.02 -0.27 0.00 0.00 0.00 0.00 57.70 57.45 1h1t n MET 28 Cb 0.49 -0.93 -0.14 0.00 0.00 0.00 0.00 33.22 32.63 1h1t n MET 28 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 1h1t s PHE 29 N -1.92 2.02 0.13 3.17 0.40 -0.46 -5.06 117.98 116.24 1h1t s PHE 29 Ca -0.00 -0.39 -0.20 0.00 -0.60 0.00 0.00 56.93 55.74 1h1t s PHE 29 Cb 0.04 -1.18 -0.04 0.00 0.51 0.00 0.00 43.02 42.35 1h1t s PHE 29 CO 0.21 0.15 1.73 -0.44 0.70 0.00 0.00 175.22 177.56 1h1t h ASP 30 N 4.61 -0.05 -3.57 1.36 3.32 -1.84 -3.42 116.42 116.83 1h1t h ASP 30 Ca -0.45 0.04 -0.36 0.00 0.02 0.00 0.00 57.03 56.27 1h1t h ASP 30 Cb 1.16 0.06 -0.33 0.00 0.22 0.00 0.00 39.33 40.45 1h1t h ASP 30 CO 0.42 0.00 -0.76 -2.28 -1.72 0.00 0.00 179.24 174.91 1h1t s HIS 31 N -6.19 0.51 -0.15 4.55 2.46 -0.93 -4.76 115.29 110.78 1h1t s HIS 31 Ca -0.13 -0.10 0.02 0.00 0.47 0.00 0.00 55.06 55.32 1h1t s HIS 31 Cb 0.10 -0.48 0.01 0.00 -0.13 0.00 0.00 32.58 32.08 1h1t s HIS 31 CO 0.69 -0.13 -0.20 0.08 -2.47 0.00 0.00 174.74 172.71 1h1t s VAL 32 N 0.72 1.95 -0.36 0.89 1.01 0.58 -0.63 120.40 124.57 1h1t s VAL 32 Ca -0.08 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 60.85 1h1t s VAL 32 Cb -0.12 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 1h1t s VAL 32 CO -0.01 0.53 0.34 -0.63 0.00 0.00 0.00 175.10 175.33 1h1t s ILE 33 N 1.04 5.20 -0.59 2.22 1.01 0.53 -0.47 121.20 130.13 1h1t s ILE 33 Ca -0.02 -0.14 -0.22 0.00 0.00 0.00 0.00 60.65 60.27 1h1t s ILE 33 Cb -0.14 -3.84 0.06 0.00 0.01 0.00 0.00 42.46 38.55 1h1t s ILE 33 CO -0.06 -0.14 0.87 -0.22 0.00 0.00 0.00 174.94 175.39 1h1t s LEU 34 N 1.93 4.51 -0.27 2.97 0.20 0.82 -0.34 118.68 128.51 1h1t s LEU 34 Ca 0.10 -0.82 -0.14 0.00 0.69 0.00 0.00 54.13 53.96 1h1t s LEU 34 Cb -0.17 -2.54 -0.04 0.00 -0.43 0.00 0.00 46.19 43.01 1h1t s LEU 34 CO 0.11 -1.24 0.32 0.00 -0.29 0.00 0.00 176.35 175.25 1h1t s ALA 35 N 3.62 3.56 -0.27 5.97 0.00 -0.72 -1.23 121.76 132.68 1h1t s ALA 35 Ca 0.22 -0.87 -0.09 0.00 0.00 0.00 0.00 51.96 51.22 1h1t s ALA 35 Cb -0.17 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.29 1h1t s ALA 35 CO 0.13 -0.58 0.13 0.42 0.00 0.00 0.00 175.76 175.87 1h1t s ILE 36 N 1.88 4.81 0.14 0.00 1.01 0.50 -1.64 121.20 127.89 1h1t s ILE 36 Ca 0.13 -0.03 -0.31 0.00 0.00 0.00 0.00 60.65 60.43 1h1t s ILE 36 Cb -0.16 -3.29 -0.11 0.00 0.01 0.00 0.00 42.46 38.92 1h1t s ILE 36 CO 0.10 0.27 1.82 0.00 0.00 0.00 0.00 174.94 177.13 1h1t s ALA 37 N 1.68 3.80 0.02 9.38 0.00 -0.21 -0.99 121.76 135.44 1h1t s ALA 37 Ca 0.07 1.49 -0.22 0.00 0.00 0.00 0.00 51.96 53.30 1h1t s ALA 37 Cb -0.16 -3.75 -0.16 0.00 0.00 0.00 0.00 23.12 19.05 1h1t s ALA 37 CO 0.07 -1.17 1.30 0.00 0.00 0.00 0.00 175.76 175.96 1h1t h ALA 38 N 8.27 0.16 -2.73 0.00 0.00 -0.11 -3.41 119.26 121.44 1h1t h ALA 38 Ca -0.46 -0.33 -0.61 0.00 0.00 0.00 0.00 54.91 53.52 1h1t h ALA 38 Cb 1.21 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.57 1h1t h ALA 38 CO 0.95 0.04 -0.77 -1.12 0.00 0.00 0.00 179.25 178.35 1h1t s SER 39 N -6.08 3.16 0.68 0.00 0.01 -1.26 -4.66 113.70 105.55 1h1t s SER 39 Ca -0.15 -3.46 -0.16 0.00 1.31 0.00 0.00 55.95 53.50 1h1t s SER 39 Cb 0.04 -1.04 0.01 0.00 0.21 0.00 0.00 66.02 65.24 1h1t s SER 39 CO 0.74 -0.13 1.17 -2.16 0.41 0.00 0.00 173.24 173.27 1h1t s PRO 40 N -0.70 2.52 0.16 12.44 0.04 -1.26 -4.92 135.00 143.27 1h1t s PRO 40 Ca 0.29 1.63 -0.31 0.00 0.04 0.00 0.00 61.00 62.64 1h1t s PRO 40 Cb -0.01 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.57 1h1t s PRO 40 CO -0.18 -1.51 1.54 1.03 0.04 0.00 0.00 177.00 177.92 1h1t h SER 41 N 0.02 -2.10 -3.15 6.66 0.87 -2.00 -3.39 113.55 110.46 1h1t h SER 41 Ca -0.48 0.32 -0.59 0.00 -1.23 0.00 0.00 61.79 59.81 1h1t h SER 41 Cb 1.28 0.92 -0.05 0.00 -0.44 0.00 0.00 62.40 64.11 1h1t h SER 41 CO 0.52 -0.26 -0.10 -0.54 -0.53 0.00 0.00 176.83 175.92 1h1t s LYS 42 N -5.53 4.09 -0.13 2.24 1.02 -1.26 -5.00 119.74 115.17 1h1t s LYS 42 Ca -0.12 0.61 -0.34 0.00 0.02 0.00 0.00 55.97 56.14 1h1t s LYS 42 Cb 0.11 -3.23 -0.11 0.00 -0.52 0.00 0.00 37.83 34.08 1h1t s LYS 42 CO 0.62 0.66 1.94 1.17 -0.92 0.00 0.00 175.35 178.82 1h1t n LYS 43 N 1.76 2.06 -1.09 1.68 4.81 -1.26 -4.93 118.16 121.19 1h1t n LYS 43 Ca -0.12 0.73 -0.31 0.00 -0.87 0.00 0.00 58.31 57.74 1h1t n LYS 43 Cb 0.51 -2.68 0.11 0.00 0.02 0.00 0.00 35.03 33.00 1h1t n LYS 43 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1h1t s PRO 44 N 4.50 1.87 0.08 1.64 0.04 -1.26 -4.95 135.00 136.91 1h1t s PRO 44 Ca 0.95 1.30 -0.16 0.00 0.04 0.00 0.00 61.00 63.13 1h1t s PRO 44 Cb -0.68 -1.84 -0.11 0.00 0.04 0.00 0.00 34.50 31.91 1h1t s PRO 44 CO 0.50 -1.96 1.37 1.98 0.04 0.00 0.00 177.00 178.94 1h1t h MET 45 N -1.33 0.62 -5.94 4.56 1.85 -1.92 -3.43 114.93 109.33 1h1t h MET 45 Ca -0.43 -0.36 -0.67 0.00 -0.61 0.00 0.00 59.70 57.63 1h1t h MET 45 Cb 1.24 0.03 -0.12 0.00 0.43 0.00 0.00 31.60 33.18 1h1t h MET 45 CO 0.48 0.96 -0.58 -0.06 -0.40 0.00 0.00 176.91 177.31 1h1t s PHE 46 N -4.22 3.27 0.82 1.39 0.40 -1.26 -5.10 117.98 113.27 1h1t s PHE 46 Ca -0.13 0.24 -0.11 0.00 -0.60 0.00 0.00 56.93 56.34 1h1t s PHE 46 Cb 0.08 -1.79 0.08 0.00 0.51 0.00 0.00 43.02 41.90 1h1t s PHE 46 CO 0.82 0.54 1.09 0.95 0.70 0.00 0.00 175.22 179.32 1h1t s THR 47 N -1.03 3.08 0.26 0.64 -4.23 -1.26 -4.71 115.64 108.38 1h1t s THR 47 Ca 0.17 0.35 -0.02 0.00 -1.18 0.00 0.00 61.69 61.01 1h1t s THR 47 Cb -0.12 -2.83 0.24 0.00 1.34 0.00 0.00 72.50 71.13 1h1t s THR 47 CO 0.07 -0.46 1.81 0.25 -0.54 0.00 0.00 174.62 175.76 1h1t h LEU 48 N -1.29 0.74 -0.37 4.79 5.85 -1.92 0.10 115.31 123.21 1h1t h LEU 48 Ca -0.46 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.34 1h1t h LEU 48 Cb 1.25 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 1h1t h LEU 48 CO 0.52 0.40 0.21 -0.08 -0.34 0.00 0.00 178.44 179.15 1h1t h GLU 49 N 0.83 0.41 -0.25 1.25 4.81 -1.96 0.17 114.58 119.84 1h1t h GLU 49 Ca 0.44 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.61 1h1t h GLU 49 Cb 0.45 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1h1t h GLU 49 CO -0.27 0.27 0.04 0.93 -0.73 0.00 0.00 179.01 179.25 1h1t h GLU 50 N 0.42 0.41 -0.95 1.92 5.08 -1.61 -1.79 114.58 118.06 1h1t h GLU 50 Ca 0.15 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1h1t h GLU 50 Cb 0.03 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 1h1t h GLU 50 CO -0.09 0.55 0.61 0.00 -1.00 0.00 0.00 179.01 179.08 1h1t h ARG 51 N 0.22 1.26 -0.34 2.33 3.08 -0.55 0.14 114.38 120.52 1h1t h ARG 51 Ca 0.07 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 1h1t h ARG 51 Cb 0.34 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1h1t h ARG 51 CO 0.01 0.85 -0.15 0.28 -1.07 0.00 0.00 179.97 179.89 1h1t h VAL 52 N 1.29 1.29 -0.15 2.04 2.07 -0.89 -1.38 116.25 120.51 1h1t h VAL 52 Ca 0.34 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 1h1t h VAL 52 Cb -0.11 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1h1t h VAL 52 CO -0.07 0.41 0.08 0.00 0.02 0.00 0.00 177.57 178.01 1h1t h ALA 53 N 0.79 0.20 -0.51 1.67 0.00 -0.86 0.40 119.26 120.94 1h1t h ALA 53 Ca 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1h1t h ALA 53 Cb 0.68 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1h1t h ALA 53 CO 0.05 -0.26 0.29 -0.07 0.00 0.00 0.00 179.25 179.25 1h1t h LEU 54 N 0.14 0.63 -0.72 0.00 3.38 -0.97 -1.68 115.31 116.10 1h1t h LEU 54 Ca 0.05 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1h1t h LEU 54 Cb 0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1h1t h LEU 54 CO -0.01 0.53 0.22 0.00 0.09 0.00 0.00 178.44 179.28 1h1t h ALA 55 N 1.13 0.94 -0.25 1.53 0.00 -1.07 -0.76 119.26 120.78 1h1t h ALA 55 Ca 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1h1t h ALA 55 Cb 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1h1t h ALA 55 CO -0.03 0.62 0.12 1.96 0.00 0.00 0.00 179.25 181.92 1h1t h GLN 56 N 1.06 0.35 -0.62 0.00 4.20 -0.62 -1.90 115.11 117.57 1h1t h GLN 56 Ca 0.23 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.84 1h1t h GLN 56 Cb 0.31 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1h1t h GLN 56 CO -0.01 0.35 0.20 1.96 -0.67 0.00 0.00 178.83 180.66 1h1t h GLN 57 N 0.27 0.97 0.00 1.46 7.50 -1.15 -0.26 115.11 123.90 1h1t h GLN 57 Ca 0.08 -0.21 0.00 0.00 0.50 0.00 0.00 58.65 59.03 1h1t h GLN 57 Cb 0.11 -0.14 0.00 0.00 0.05 0.00 0.00 27.48 27.50 1h1t h GLN 57 CO -0.01 0.85 0.00 0.00 -1.50 0.00 0.00 178.83 178.17 1h1t h ALA 58 N 1.07 1.00 -0.14 3.87 0.00 -0.99 -2.95 119.26 121.12 1h1t h ALA 58 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1h1t h ALA 58 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1h1t h ALA 58 CO -0.01 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.49 1h1t n THR 59 N -2.98 0.79 -0.17 0.00 -2.24 -0.73 -4.70 114.28 104.25 1h1t n THR 59 Ca 0.00 -0.90 0.18 0.00 -2.27 0.00 0.00 64.05 61.07 1h1t n THR 59 Cb 0.27 0.63 0.54 0.00 -2.10 0.00 0.00 70.33 69.67 1h1t n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h1t h ALA 60 N 1.01 2.23 0.00 6.98 0.00 -0.86 0.22 119.26 128.84 1h1t h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h1t h ALA 60 Cb 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1h1t h ALA 60 CO 0.00 -0.46 0.00 -2.39 0.00 0.00 0.00 179.25 176.40 1h1t n HIS 61 N -4.46 0.66 -3.16 0.00 1.44 -1.26 -4.55 115.22 103.89 1h1t n HIS 61 Ca 0.16 0.23 -0.44 0.00 -2.01 0.00 0.00 57.72 55.66 1h1t n HIS 61 Cb 0.62 -0.88 -0.05 0.00 0.12 0.00 0.00 29.99 29.80 1h1t n HIS 61 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1h1t s LEU 62 N -4.16 5.29 0.06 2.39 1.43 0.78 -5.00 118.68 119.47 1h1t s LEU 62 Ca 0.07 -1.24 -0.12 0.00 -1.03 0.00 0.00 54.13 51.81 1h1t s LEU 62 Cb 0.11 -2.34 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 1h1t s LEU 62 CO 0.44 -0.98 1.21 1.23 0.23 0.00 0.00 176.35 178.48 1h1t h GLY 63 N 9.72 -1.84 -1.69 -3.19 0.00 -1.82 -2.98 103.07 101.26 1h1t h GLY 63 Ca -0.29 0.94 -0.03 0.00 0.00 0.00 0.00 47.33 47.96 1h1t h GLY 63 CO 1.03 -0.58 0.03 1.16 0.00 0.00 0.00 176.54 178.18 1h1t n ASN 64 N -3.82 2.18 -4.60 0.19 2.04 -1.26 -4.82 115.26 105.17 1h1t n ASN 64 Ca -0.00 -2.19 -0.35 0.00 -0.44 0.00 0.00 54.58 51.60 1h1t n ASN 64 Cb 0.11 -0.54 -0.10 0.00 -2.53 0.00 0.00 39.78 36.72 1h1t n ASN 64 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1h1t s VAL 65 N -1.08 4.63 -0.19 3.53 1.01 -1.13 -0.31 120.40 126.87 1h1t s VAL 65 Ca 0.09 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1h1t s VAL 65 Cb 0.07 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 33.40 1h1t s VAL 65 CO 0.02 0.45 -0.13 -0.70 0.00 0.00 0.00 175.10 174.75 1h1t s GLU 66 N 0.50 2.23 -0.14 2.72 2.12 0.38 -4.98 118.70 121.54 1h1t s GLU 66 Ca 0.02 -0.79 -0.21 0.00 0.36 0.00 0.00 54.97 54.35 1h1t s GLU 66 Cb -0.13 -2.37 -0.03 0.00 0.26 0.00 0.00 34.13 31.86 1h1t s GLU 66 CO 0.01 -0.35 0.64 0.08 -0.54 0.00 0.00 175.26 175.10 1h1t s VAL 67 N 1.39 5.05 -0.07 3.70 1.01 -1.26 -0.13 120.40 130.09 1h1t s VAL 67 Ca 0.01 1.25 -0.09 0.00 0.00 0.00 0.00 61.98 63.15 1h1t s VAL 67 Cb -0.15 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.29 1h1t s VAL 67 CO -0.09 0.18 0.24 0.68 0.00 0.00 0.00 175.10 176.11 1h1t s VAL 68 N 1.39 0.02 0.26 2.92 -7.23 -0.37 -4.95 120.40 112.44 1h1t s VAL 68 Ca 0.31 -0.16 -0.06 0.00 -1.81 0.00 0.00 61.98 60.27 1h1t s VAL 68 Cb -0.16 -0.40 -0.06 0.00 0.56 0.00 0.00 36.38 36.32 1h1t s VAL 68 CO 0.13 -0.09 0.54 -0.83 -0.31 0.00 0.00 175.10 174.54 1h1t s GLY 69 N -0.26 2.02 0.00 2.32 0.00 -1.26 -0.37 107.32 109.77 1h1t s GLY 69 Ca -0.04 -0.47 -0.13 0.00 0.00 0.00 0.00 44.72 44.08 1h1t s GLY 69 CO 0.01 -0.35 0.28 -0.11 0.00 0.00 0.00 173.10 172.92 1h1t s PHE 70 N -1.97 -0.12 0.52 1.90 -0.12 -0.16 -4.84 117.98 113.19 1h1t s PHE 70 Ca 0.45 0.12 0.03 0.00 -0.05 0.00 0.00 56.93 57.48 1h1t s PHE 70 Cb -0.11 0.07 0.00 0.00 -0.63 0.00 0.00 43.02 42.35 1h1t s PHE 70 CO 0.27 -0.40 0.15 -1.54 -0.05 0.00 0.00 175.22 173.65 1h1t s SER 71 N -1.52 4.31 0.70 1.98 1.04 -1.26 0.68 113.70 119.62 1h1t s SER 71 Ca -0.12 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 54.83 1h1t s SER 71 Cb -0.04 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1h1t s SER 71 CO 0.02 -0.92 0.00 -0.90 0.98 0.00 0.00 173.24 172.42 1h1t n ASP 72 N -1.43 0.00 -4.70 7.02 5.75 -1.26 -4.70 116.55 117.23 1h1t n ASP 72 Ca -0.12 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.24 1h1t n ASP 72 Cb 0.66 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.72 1h1t n ASP 72 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1h1t s LEU 73 N 0.00 4.35 0.18 -2.12 2.96 -1.26 -4.93 118.68 117.86 1h1t s LEU 73 Ca 0.00 2.34 -0.13 0.00 -0.22 0.00 0.00 54.13 56.11 1h1t s LEU 73 Cb 0.00 -3.57 0.13 0.00 0.50 0.00 0.00 46.19 43.25 1h1t s LEU 73 CO 0.00 -0.78 1.78 -0.03 -1.32 0.00 0.00 176.35 176.00 1h1t h MET 74 N 7.74 0.43 -0.98 1.98 1.85 -1.98 -2.02 114.93 121.95 1h1t h MET 74 Ca -0.41 -0.03 0.05 0.00 -0.61 0.00 0.00 59.70 58.70 1h1t h MET 74 Cb 1.19 -0.10 -0.06 0.00 0.43 0.00 0.00 31.60 33.07 1h1t h MET 74 CO 0.91 0.29 0.64 0.00 -0.40 0.00 0.00 176.91 178.34 1h1t h ALA 75 N 1.28 1.40 -0.58 0.39 0.00 -1.96 0.20 119.26 119.98 1h1t h ALA 75 Ca 0.22 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1h1t h ALA 75 Cb 0.15 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1h1t h ALA 75 CO -0.17 0.49 0.05 -0.91 0.00 0.00 0.00 179.25 178.71 1h1t h ASN 76 N 1.19 0.93 -0.20 0.00 2.35 -1.82 -0.58 115.58 117.47 1h1t h ASN 76 Ca 0.40 -0.23 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 1h1t h ASN 76 Cb 0.08 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1h1t h ASN 76 CO -0.14 0.96 -0.06 0.15 -1.65 0.00 0.00 177.43 176.69 1h1t h PHE 77 N 0.91 0.44 -0.69 1.19 3.57 -0.60 -2.38 116.94 119.38 1h1t h PHE 77 Ca 0.18 -0.10 0.08 0.00 3.53 0.00 0.00 57.97 61.66 1h1t h PHE 77 Cb 0.46 -0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.02 1h1t h PHE 77 CO 0.03 0.66 0.35 0.00 -2.23 0.00 0.00 178.31 177.12 1h1t h ALA 78 N 0.72 0.94 -0.23 2.41 0.00 -0.39 0.28 119.26 123.00 1h1t h ALA 78 Ca 0.05 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1h1t h ALA 78 Cb 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1h1t h ALA 78 CO 0.02 -0.03 0.08 -0.09 0.00 0.00 0.00 179.25 179.24 1h1t h ARG 79 N 0.62 0.35 0.00 0.00 2.43 -1.03 -1.41 114.38 115.34 1h1t h ARG 79 Ca 0.33 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.40 1h1t h ARG 79 Cb 0.31 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1h1t h ARG 79 CO -0.24 0.41 -0.16 -0.97 -1.51 0.00 0.00 179.97 177.50 1h1t h ASN 80 N 0.21 0.00 0.03 -3.80 -0.73 -0.92 -1.66 115.58 108.71 1h1t h ASN 80 Ca 0.08 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.25 1h1t h ASN 80 Cb 0.20 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.79 1h1t h ASN 80 CO -0.00 0.16 -0.03 0.00 -0.37 0.00 0.00 177.43 177.18 1h1t n GLN 81 N -3.54 1.48 -3.41 6.67 1.13 0.04 -4.94 117.38 114.81 1h1t n GLN 81 Ca -0.01 -0.81 -0.23 0.00 -1.94 0.00 0.00 57.00 54.01 1h1t n GLN 81 Cb 0.31 -1.48 0.07 0.00 0.11 0.00 0.00 30.24 29.24 1h1t n GLN 81 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1h1t n HIS 82 N -0.05 -2.59 -3.13 1.08 8.25 -0.63 -4.99 115.22 113.17 1h1t n HIS 82 Ca 0.18 0.86 -0.35 0.00 -0.26 0.00 0.00 57.72 58.15 1h1t n HIS 82 Cb 0.33 -4.84 -0.06 0.00 1.12 0.00 0.00 29.99 26.55 1h1t n HIS 82 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1h1t s ALA 83 N -3.27 3.41 0.00 -1.41 0.00 -0.62 -4.69 121.76 115.17 1h1t s ALA 83 Ca 0.50 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1h1t s ALA 83 Cb -0.22 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1h1t s ALA 83 CO 0.62 0.34 0.33 0.25 0.00 0.00 0.00 175.76 177.29 1h1t n THR 84 N 0.53 0.00 -4.47 0.00 -2.24 -0.48 -4.68 114.28 102.95 1h1t n THR 84 Ca -0.01 -0.39 -0.23 0.00 -2.27 0.00 0.00 64.05 61.15 1h1t n THR 84 Cb 0.51 1.18 -0.16 0.00 -2.10 0.00 0.00 70.33 69.76 1h1t n THR 84 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1h1t s VAL 85 N -0.12 0.94 -0.31 2.28 1.01 -1.16 -1.30 120.40 121.73 1h1t s VAL 85 Ca 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 1h1t s VAL 85 Cb 0.00 -0.87 0.04 0.00 0.00 0.00 0.00 36.38 35.55 1h1t s VAL 85 CO 0.00 0.31 0.04 -0.22 0.00 0.00 0.00 175.10 175.22 1h1t s LEU 86 N 0.59 4.00 -0.12 3.92 2.96 0.26 -0.48 118.68 129.81 1h1t s LEU 86 Ca -0.11 -1.17 -0.25 0.00 -0.22 0.00 0.00 54.13 52.37 1h1t s LEU 86 Cb -0.14 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 1h1t s LEU 86 CO 0.02 -0.27 0.82 -0.63 -1.32 0.00 0.00 176.35 174.97 1h1t s ILE 87 N 1.32 4.92 -0.05 6.68 -1.09 0.72 -0.86 121.20 132.84 1h1t s ILE 87 Ca -0.03 1.65 0.03 0.00 -2.23 0.00 0.00 60.65 60.07 1h1t s ILE 87 Cb -0.19 -4.14 0.00 0.00 -1.58 0.00 0.00 42.46 36.55 1h1t s ILE 87 CO 0.00 0.11 -0.15 -0.13 -1.23 0.00 0.00 174.94 173.54 1h1t s ARG 88 N 1.62 1.77 -0.09 2.79 1.81 -0.54 -4.32 118.95 122.00 1h1t s ARG 88 Ca 0.40 -0.54 -0.17 0.00 -1.72 0.00 0.00 55.73 53.70 1h1t s ARG 88 Cb -0.17 -1.50 -0.05 0.00 -0.45 0.00 0.00 34.95 32.78 1h1t s ARG 88 CO 0.16 0.16 0.45 0.20 -0.68 0.00 0.00 175.30 175.59 1h1t s GLY 89 N 0.28 2.41 -0.40 -3.53 0.00 -1.26 -1.39 107.32 103.43 1h1t s GLY 89 Ca -0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 44.72 44.41 1h1t s GLY 89 CO 0.03 0.59 0.19 1.08 0.00 0.00 0.00 173.10 175.00 1h1t s LEU 90 N 0.16 5.23 0.81 0.66 1.43 0.23 -4.92 118.68 122.28 1h1t s LEU 90 Ca 0.25 -2.04 -0.12 0.00 -1.03 0.00 0.00 54.13 51.19 1h1t s LEU 90 Cb -0.15 -1.82 0.08 0.00 0.03 0.00 0.00 46.19 44.33 1h1t s LEU 90 CO 0.11 -0.53 1.13 -0.13 0.23 0.00 0.00 176.35 177.15 1h1t s ARG 91 N 1.13 1.99 0.56 1.70 0.52 -1.26 -4.31 118.95 119.27 1h1t s ARG 91 Ca 0.08 0.38 0.35 0.00 -0.52 0.00 0.00 55.73 56.02 1h1t s ARG 91 Cb -0.23 -1.93 1.49 0.00 0.52 0.00 0.00 34.95 34.80 1h1t s ARG 91 CO -0.04 -1.63 2.03 0.00 0.02 0.00 0.00 175.30 175.67 1h1t h ALA 92 N -1.09 1.01 -0.55 2.13 0.00 -1.66 -2.46 119.26 116.64 1h1t h ALA 92 Ca -0.47 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.28 1h1t h ALA 92 Cb 1.30 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 1h1t h ALA 92 CO 0.63 0.02 0.14 1.33 0.00 0.00 0.00 179.25 181.36 1h1t n VAL 93 N -3.12 2.71 -2.63 0.00 0.24 -1.21 -5.01 118.33 109.32 1h1t n VAL 93 Ca 0.00 -1.86 -0.35 0.00 -2.04 0.00 0.00 64.34 60.09 1h1t n VAL 93 Cb 0.28 -0.32 -0.05 0.00 -1.47 0.00 0.00 33.84 32.28 1h1t n VAL 93 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1h1t s ALA 94 N -2.99 3.01 -0.99 2.33 0.00 -0.93 -4.95 121.76 117.24 1h1t s ALA 94 Ca 0.50 0.59 -0.21 0.00 0.00 0.00 0.00 51.96 52.84 1h1t s ALA 94 Cb 0.41 -3.23 0.09 0.00 0.00 0.00 0.00 23.12 20.39 1h1t s ALA 94 CO 0.10 -0.14 1.32 0.34 0.00 0.00 0.00 175.76 177.39 1h1t s ASP 95 N -1.85 6.58 0.26 0.00 3.68 -1.26 -4.85 116.67 119.23 1h1t s ASP 95 Ca 0.61 -1.77 -0.04 0.00 2.13 0.00 0.00 52.55 53.48 1h1t s ASP 95 Cb -0.17 -2.49 0.35 0.00 -1.45 0.00 0.00 42.92 39.16 1h1t s ASP 95 CO 0.21 -1.29 1.89 0.15 0.13 0.00 0.00 175.17 176.26 1h1t h PHE 96 N 9.25 1.18 -0.20 -5.34 3.57 -1.96 -1.73 116.94 121.71 1h1t h PHE 96 Ca 0.19 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 1h1t h PHE 96 Cb 1.01 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1h1t h PHE 96 CO 1.23 0.65 -0.12 0.93 -2.23 0.00 0.00 178.31 178.77 1h1t h GLU 97 N 1.19 0.32 -0.52 1.11 4.39 -2.00 -1.68 114.58 117.41 1h1t h GLU 97 Ca 0.40 -0.08 -0.11 0.00 0.34 0.00 0.00 59.36 59.92 1h1t h GLU 97 Cb 0.07 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1h1t h GLU 97 CO -0.15 0.45 -0.10 -0.92 -1.16 0.00 0.00 179.01 177.14 1h1t h TYR 98 N 0.31 1.09 -0.27 4.33 5.03 -1.74 -1.92 116.97 123.80 1h1t h TYR 98 Ca 0.06 -0.23 -0.04 0.00 2.58 0.00 0.00 58.73 61.10 1h1t h TYR 98 Cb 0.40 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 38.39 1h1t h TYR 98 CO 0.01 1.03 -0.02 0.93 -1.32 0.00 0.00 178.16 178.79 1h1t h GLU 99 N 0.84 0.40 -0.31 1.82 4.39 -0.85 -0.87 114.58 120.01 1h1t h GLU 99 Ca 0.13 -0.08 -0.17 0.00 0.34 0.00 0.00 59.36 59.58 1h1t h GLU 99 Cb 0.66 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1h1t h GLU 99 CO 0.05 0.45 -0.49 0.52 -1.16 0.00 0.00 179.01 178.37 1h1t h MET 100 N 0.39 0.86 0.02 2.33 2.86 -1.01 -0.27 114.93 120.11 1h1t h MET 100 Ca 0.09 -0.51 -0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1h1t h MET 100 Cb 0.29 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1h1t h MET 100 CO 0.01 1.15 -0.01 1.96 1.06 0.00 0.00 176.91 181.08 1h1t h GLN 101 N 0.68 -0.03 -0.29 1.72 4.20 -0.84 -1.56 115.11 118.99 1h1t h GLN 101 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1h1t h GLN 101 Cb 1.09 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 1h1t h GLN 101 CO 0.11 0.02 0.19 1.25 -0.67 0.00 0.00 178.83 179.73 1h1t h LEU 102 N -0.07 0.34 -0.82 1.46 5.85 -1.11 -1.30 115.31 119.67 1h1t h LEU 102 Ca -0.00 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 1h1t h LEU 102 Cb 0.06 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1h1t h LEU 102 CO 0.00 0.26 0.26 0.00 -0.34 0.00 0.00 178.44 178.63 1h1t h ALA 103 N 1.09 1.05 -0.17 1.25 0.00 -0.95 0.08 119.26 121.61 1h1t h ALA 103 Ca 0.11 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1h1t h ALA 103 Cb -0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1h1t h ALA 103 CO -0.02 0.65 -0.52 0.45 0.00 0.00 0.00 179.25 179.81 1h1t h HIS 104 N 1.10 0.60 -0.18 0.00 3.86 -1.09 -0.37 115.15 119.07 1h1t h HIS 104 Ca 0.24 -0.20 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 1h1t h HIS 104 Cb 0.26 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 1h1t h HIS 104 CO 0.02 0.90 -0.02 1.98 0.86 0.00 0.00 177.93 181.67 1h1t h MET 105 N 0.38 0.33 -0.08 2.45 -1.53 -0.94 -1.20 114.93 114.34 1h1t h MET 105 Ca 0.01 -0.12 -0.03 0.00 -3.44 0.00 0.00 59.70 56.13 1h1t h MET 105 Cb 1.04 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 32.06 1h1t h MET 105 CO 0.09 0.57 -0.08 -0.91 0.14 0.00 0.00 176.91 176.73 1h1t h ASN 106 N 0.06 0.11 -0.22 1.39 2.35 -0.89 -0.77 115.58 117.61 1h1t h ASN 106 Ca 0.05 -0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 55.60 1h1t h ASN 106 Cb 0.44 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 1h1t h ASN 106 CO 0.01 0.21 -0.56 -0.09 -1.65 0.00 0.00 177.43 175.35 1h1t h ARG 107 N 0.11 0.82 -0.39 0.81 2.43 -0.85 0.21 114.38 117.53 1h1t h ARG 107 Ca 0.03 -0.53 -0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1h1t h ARG 107 Cb 0.22 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1h1t h ARG 107 CO 0.01 1.16 0.23 1.25 -1.51 0.00 0.00 179.97 181.11 1h1t h HIS 108 N 0.62 0.51 -0.38 2.20 2.76 -0.43 -1.57 115.15 118.86 1h1t h HIS 108 Ca 0.01 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.10 1h1t h HIS 108 Cb 1.16 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.94 1h1t h HIS 108 CO 0.07 0.36 -0.08 -0.07 -1.30 0.00 0.00 177.93 176.92 1h1t h LEU 109 N 0.51 0.73 -6.32 0.26 3.38 -1.04 -3.40 115.31 109.42 1h1t h LEU 109 Ca 0.14 -0.35 -0.47 0.00 0.09 0.00 0.00 57.88 57.29 1h1t h LEU 109 Cb 0.00 -0.20 -0.34 0.00 0.09 0.00 0.00 40.66 40.22 1h1t h LEU 109 CO -0.03 0.92 -0.79 -0.32 0.09 0.00 0.00 178.44 178.31 1h1t s MET 110 N -4.82 0.71 0.59 1.13 0.00 0.05 -5.00 119.30 111.96 1h1t s MET 110 Ca -0.13 -1.32 0.31 0.00 0.00 0.00 0.00 55.69 54.56 1h1t s MET 110 Cb 0.10 -1.00 1.84 0.00 0.00 0.00 0.00 34.83 35.77 1h1t s MET 110 CO 0.81 -1.26 2.25 -1.00 0.00 0.00 0.00 175.02 175.82 1h1t h PRO 111 N 6.54 0.00 0.00 4.11 0.13 -1.49 -1.28 132.00 140.01 1h1t h PRO 111 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1h1t h PRO 111 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1h1t h PRO 111 CO 0.24 0.01 0.00 -0.85 -0.23 0.00 0.00 178.00 177.18 1h1t n GLU 112 N -3.74 0.38 -3.55 0.86 0.00 -1.26 -4.51 120.64 108.82 1h1t n GLU 112 Ca -0.03 0.07 -0.41 0.00 0.00 0.00 0.00 57.16 56.78 1h1t n GLU 112 Cb 0.10 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 29.93 1h1t n GLU 112 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1h1t s LEU 113 N -2.47 4.93 -0.23 -1.84 2.96 -0.48 -4.56 118.68 116.98 1h1t s LEU 113 Ca 0.23 -1.04 -0.19 0.00 -0.22 0.00 0.00 54.13 52.90 1h1t s LEU 113 Cb 0.15 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 1h1t s LEU 113 CO 0.32 -0.44 0.57 -0.70 -1.32 0.00 0.00 176.35 174.78 1h1t s GLU 114 N 1.58 4.13 0.10 1.98 2.56 -0.42 -4.76 118.70 123.87 1h1t s GLU 114 Ca 0.03 0.45 -0.30 0.00 0.00 0.00 0.00 54.97 55.15 1h1t s GLU 114 Cb -0.20 -3.62 -0.06 0.00 2.00 0.00 0.00 34.13 32.25 1h1t s GLU 114 CO 0.07 -0.30 1.17 -1.12 -0.56 0.00 0.00 175.26 174.51 1h1t s SER 115 N 1.38 7.13 -0.03 -1.70 0.01 -1.26 -0.58 113.70 118.65 1h1t s SER 115 Ca 0.24 2.04 0.02 0.00 1.31 0.00 0.00 55.95 59.57 1h1t s SER 115 Cb -0.16 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.49 1h1t s SER 115 CO 0.09 -0.39 -0.10 0.68 0.41 0.00 0.00 173.24 173.93 1h1t s VAL 116 N 0.63 0.86 -0.16 3.43 -7.23 -0.04 -4.90 120.40 112.98 1h1t s VAL 116 Ca 0.56 -0.38 -0.05 0.00 -1.81 0.00 0.00 61.98 60.30 1h1t s VAL 116 Cb -0.29 -0.78 -0.03 0.00 0.56 0.00 0.00 36.38 35.84 1h1t s VAL 116 CO 0.31 0.27 -0.01 -0.36 -0.31 0.00 0.00 175.10 175.00 1h1t s PHE 117 N 0.33 3.08 0.17 2.82 0.08 -1.26 -1.46 117.98 121.73 1h1t s PHE 117 Ca -0.06 -0.22 0.08 0.00 0.12 0.00 0.00 56.93 56.85 1h1t s PHE 117 Cb -0.10 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.31 1h1t s PHE 117 CO 0.01 -0.00 -0.04 -0.51 -0.10 0.00 0.00 175.22 174.58 1h1t s LEU 118 N 0.39 3.17 -0.14 -0.37 1.02 -0.49 -4.94 118.68 117.32 1h1t s LEU 118 Ca -0.02 -0.46 -0.01 0.00 0.02 0.00 0.00 54.13 53.66 1h1t s LEU 118 Cb -0.14 -1.84 -0.02 0.00 0.02 0.00 0.00 46.19 44.21 1h1t s LEU 118 CO 0.02 0.10 -0.11 -0.04 0.02 0.00 0.00 176.35 176.35 1h1t s MET 119 N -2.84 3.42 0.93 1.70 -1.94 -1.26 -0.60 119.30 118.71 1h1t s MET 119 Ca 0.26 -0.66 -0.13 0.00 -1.71 0.00 0.00 55.69 53.45 1h1t s MET 119 Cb -0.09 -2.71 0.15 0.00 2.01 0.00 0.00 34.83 34.19 1h1t s MET 119 CO 0.17 0.17 1.15 -1.25 -0.01 0.00 0.00 175.02 175.25 1h1t s PRO 120 N 0.49 0.98 0.91 2.03 0.04 -1.26 -4.98 135.00 133.21 1h1t s PRO 120 Ca -0.08 0.19 -0.11 0.00 0.04 0.00 0.00 61.00 61.04 1h1t s PRO 120 Cb -0.15 -1.83 0.14 0.00 0.04 0.00 0.00 34.50 32.69 1h1t s PRO 120 CO 0.04 -2.29 1.10 -1.54 0.04 0.00 0.00 177.00 174.35 1h1t s SER 121 N -4.13 3.25 0.44 6.66 1.04 -1.26 -4.80 113.70 114.90 1h1t s SER 121 Ca 0.65 1.73 0.12 0.00 0.48 0.00 0.00 55.95 58.94 1h1t s SER 121 Cb -0.13 -2.36 1.01 0.00 0.10 0.00 0.00 66.02 64.64 1h1t s SER 121 CO 0.53 -2.82 2.02 0.11 0.98 0.00 0.00 173.24 174.07 1h1t h LYS 122 N -1.67 0.39 -0.93 4.02 1.57 -1.99 -2.31 116.57 115.66 1h1t h LYS 122 Ca -0.48 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.37 1h1t h LYS 122 Cb 1.27 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 33.43 1h1t h LYS 122 CO 0.50 0.26 0.60 1.49 -0.57 0.00 0.00 179.45 181.73 1h1t h GLU 123 N 0.40 0.92 -0.37 3.15 4.57 -2.04 -2.58 114.58 118.64 1h1t h GLU 123 Ca 0.21 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1h1t h GLU 123 Cb 0.32 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1h1t h GLU 123 CO -0.05 0.61 0.00 0.91 -1.18 0.00 0.00 179.01 179.30 1h1t n TRP 124 N -4.54 0.76 0.94 0.92 7.02 -0.91 -4.65 117.44 116.99 1h1t n TRP 124 Ca 0.16 -0.64 0.12 0.00 -1.02 0.00 0.00 57.50 56.12 1h1t n TRP 124 Cb 0.29 -0.15 0.56 0.00 -2.42 0.00 0.00 31.31 29.60 1h1t n TRP 124 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1h1t n SER 125 N 0.29 0.00 -0.00 -0.99 2.88 -0.97 -3.74 113.62 111.08 1h1t n SER 125 Ca 0.17 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 1h1t n SER 125 Cb 0.64 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 1h1t n SER 125 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1h1t n PHE 126 N -1.46 0.00 -4.67 0.66 3.01 -1.26 -1.60 117.46 112.14 1h1t n PHE 126 Ca 0.07 -0.49 -0.30 0.00 1.01 0.00 0.00 57.45 57.75 1h1t n PHE 126 Cb 0.28 -0.05 -0.14 0.00 -0.01 0.00 0.00 39.48 39.56 1h1t n PHE 126 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 1h1t s ILE 127 N -1.00 2.22 0.20 4.37 -5.25 -1.25 -4.97 121.20 115.52 1h1t s ILE 127 Ca 0.01 -1.55 0.08 0.00 -0.99 0.00 0.00 60.65 58.20 1h1t s ILE 127 Cb 0.01 -1.92 -0.04 0.00 2.95 0.00 0.00 42.46 43.45 1h1t s ILE 127 CO 0.00 0.24 -0.16 -0.94 -1.79 0.00 0.00 174.94 172.29 1h1t s SER 128 N -1.62 2.67 0.29 4.36 1.04 -1.26 -5.01 113.70 114.17 1h1t s SER 128 Ca 0.13 -0.96 -0.02 0.00 0.48 0.00 0.00 55.95 55.57 1h1t s SER 128 Cb -0.10 -0.15 0.41 0.00 0.10 0.00 0.00 66.02 66.28 1h1t s SER 128 CO 0.04 -0.11 1.94 0.28 0.98 0.00 0.00 173.24 176.37 1h1t h SER 129 N 2.79 0.95 -0.07 7.02 0.02 -1.93 -1.50 113.55 120.84 1h1t h SER 129 Ca -0.40 -0.05 0.02 0.00 -0.84 0.00 0.00 61.79 60.52 1h1t h SER 129 Cb 1.22 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 1h1t h SER 129 CO 0.58 0.72 -0.04 -1.28 -1.14 0.00 0.00 176.83 175.67 1h1t h SER 130 N 1.10 -0.12 -0.58 3.07 0.87 -1.96 -0.80 113.55 115.13 1h1t h SER 130 Ca 0.29 0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.80 1h1t h SER 130 Cb -0.06 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1h1t h SER 130 CO -0.06 -0.05 0.08 0.25 -0.53 0.00 0.00 176.83 176.52 1h1t h LEU 131 N -0.03 0.94 -0.17 2.23 6.46 -1.88 -2.16 115.31 120.69 1h1t h LEU 131 Ca 0.04 -0.27 0.03 0.00 -0.12 0.00 0.00 57.88 57.56 1h1t h LEU 131 Cb 0.09 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.74 1h1t h LEU 131 CO -0.09 0.98 -0.01 0.58 -0.62 0.00 0.00 178.44 179.28 1h1t h VAL 132 N 0.88 0.87 -0.49 1.05 2.07 -0.99 -0.46 116.25 119.19 1h1t h VAL 132 Ca 0.17 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.69 1h1t h VAL 132 Cb 0.45 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1h1t h VAL 132 CO 0.02 0.01 0.31 0.11 0.02 0.00 0.00 177.57 178.03 1h1t h LYS 133 N 0.04 0.61 -0.69 1.57 1.57 -1.03 -0.74 116.57 117.90 1h1t h LYS 133 Ca 0.08 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1h1t h LYS 133 Cb 0.10 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1h1t h LYS 133 CO -0.14 0.40 0.12 1.49 -0.57 0.00 0.00 179.45 180.76 1h1t h GLU 134 N 0.63 1.13 -0.37 3.15 4.22 -1.12 0.11 114.58 122.32 1h1t h GLU 134 Ca 0.18 -0.29 -0.08 0.00 0.08 0.00 0.00 59.36 59.25 1h1t h GLU 134 Cb -0.04 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1h1t h GLU 134 CO -0.06 1.02 -0.10 0.28 -2.18 0.00 0.00 179.01 177.97 1h1t h VAL 135 N 1.06 1.28 -0.38 0.32 2.07 -0.85 -2.50 116.25 117.25 1h1t h VAL 135 Ca 0.21 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 1h1t h VAL 135 Cb 0.43 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1h1t h VAL 135 CO 0.01 0.39 0.23 0.00 0.02 0.00 0.00 177.57 178.22 1h1t h ALA 136 N 0.82 0.48 -0.09 1.67 0.00 -0.88 0.19 119.26 121.46 1h1t h ALA 136 Ca 0.09 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1h1t h ALA 136 Cb 0.61 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1h1t h ALA 136 CO 0.04 -0.03 0.07 0.00 0.00 0.00 0.00 179.25 179.34 1h1t h ARG 137 N 0.50 0.00 -0.74 0.00 3.08 -0.69 -2.39 114.38 114.13 1h1t h ARG 137 Ca 0.14 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.79 1h1t h ARG 137 Cb -0.00 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 29.81 1h1t h ARG 137 CO -0.03 0.00 0.35 0.72 -1.07 0.00 0.00 179.97 179.95 1h1t n HIS 138 N -4.33 2.31 -2.91 3.04 8.25 -0.75 -4.95 115.22 115.88 1h1t n HIS 138 Ca -0.01 -1.82 -0.13 0.00 -0.26 0.00 0.00 57.72 55.50 1h1t n HIS 138 Cb 0.18 -0.79 0.03 0.00 1.12 0.00 0.00 29.99 30.54 1h1t n HIS 138 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1h1t n GLN 139 N -1.13 -3.71 -4.19 -0.41 6.02 -0.90 -5.01 117.38 108.06 1h1t n GLN 139 Ca 0.50 0.51 -0.29 0.00 -0.01 0.00 0.00 57.00 57.71 1h1t n GLN 139 Cb 1.37 -4.54 -0.08 0.00 1.02 0.00 0.00 30.24 28.01 1h1t n GLN 139 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1h1t s GLY 140 N -3.00 1.81 -0.41 1.08 0.00 -0.02 -5.01 107.32 101.77 1h1t s GLY 140 Ca 0.26 -1.25 -0.27 0.00 0.00 0.00 0.00 44.72 43.45 1h1t s GLY 140 CO 0.32 -1.25 1.01 -0.35 0.00 0.00 0.00 173.10 172.83 1h1t s ASP 141 N -2.52 6.68 -0.06 1.64 3.68 -1.26 -4.17 116.67 120.66 1h1t s ASP 141 Ca 0.25 0.55 0.09 0.00 2.13 0.00 0.00 52.55 55.58 1h1t s ASP 141 Cb -0.11 -2.50 0.14 0.00 -1.45 0.00 0.00 42.92 39.01 1h1t s ASP 141 CO 0.17 -1.01 1.07 1.33 0.13 0.00 0.00 175.17 176.86 1h1t n VAL 142 N 6.29 1.41 -0.32 1.11 0.24 -1.26 -4.77 118.33 121.02 1h1t n VAL 142 Ca 0.09 -1.60 0.12 0.00 -2.04 0.00 0.00 64.34 60.91 1h1t n VAL 142 Cb 0.48 0.14 0.30 0.00 -1.47 0.00 0.00 33.84 33.29 1h1t n VAL 142 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1h1t h THR 143 N 0.12 0.63 -0.57 3.34 2.02 -1.93 -1.80 112.91 114.72 1h1t h THR 143 Ca 0.00 -0.21 0.12 0.00 0.77 0.00 0.00 66.41 67.09 1h1t h THR 143 Cb 0.76 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1h1t h THR 143 CO 0.00 0.11 0.39 -0.74 0.37 0.00 0.00 175.52 175.65 1h1t h HIS 144 N 0.60 0.30 -0.01 3.16 6.17 -2.01 -2.58 115.15 120.78 1h1t h HIS 144 Ca 0.55 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.64 1h1t h HIS 144 Cb 0.92 -0.10 0.00 0.00 2.52 0.00 0.00 27.41 30.75 1h1t h HIS 144 CO -0.06 0.14 -0.09 1.19 0.71 0.00 0.00 177.93 179.81 1h1t n PHE 145 N -4.45 0.00 -4.42 5.26 3.01 -0.68 -4.94 117.46 111.24 1h1t n PHE 145 Ca 0.10 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.32 1h1t n PHE 145 Cb 0.44 -0.04 -0.13 0.00 -0.01 0.00 0.00 39.48 39.74 1h1t n PHE 145 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1h1t s LEU 146 N -2.17 2.24 0.65 4.37 1.43 -0.97 -0.59 118.68 123.64 1h1t s LEU 146 Ca 0.33 -0.61 -0.17 0.00 -1.03 0.00 0.00 54.13 52.65 1h1t s LEU 146 Cb 0.20 -0.89 -0.01 0.00 0.03 0.00 0.00 46.19 45.52 1h1t s LEU 146 CO 0.40 0.09 1.21 -2.84 0.23 0.00 0.00 176.35 175.44 1h1t s PRO 147 N -1.58 2.66 0.26 1.29 0.02 -1.26 -4.71 135.00 131.68 1h1t s PRO 147 Ca 0.06 1.81 -0.02 0.00 0.02 0.00 0.00 61.00 62.88 1h1t s PRO 147 Cb -0.09 -1.89 0.54 0.00 0.02 0.00 0.00 34.50 33.07 1h1t s PRO 147 CO 0.03 -1.45 1.73 1.49 -0.33 0.00 0.00 177.00 178.47 1h1t h GLU 148 N 0.43 0.48 -0.42 5.54 4.57 -2.00 -0.78 114.58 122.40 1h1t h GLU 148 Ca -0.49 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 57.62 1h1t h GLU 148 Cb 1.30 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.76 1h1t h GLU 148 CO 0.53 0.31 0.10 -2.95 -1.18 0.00 0.00 179.01 175.83 1h1t h ASN 149 N 0.49 0.57 -0.31 1.04 -1.07 -1.97 -1.82 115.58 112.51 1h1t h ASN 149 Ca 0.46 -0.08 -0.18 0.00 0.07 0.00 0.00 56.30 56.56 1h1t h ASN 149 Cb 0.72 -0.15 -0.00 0.00 -2.07 0.00 0.00 38.32 36.83 1h1t h ASN 149 CO -0.42 0.57 -0.52 0.58 0.07 0.00 0.00 177.43 177.71 1h1t h VAL 150 N 0.60 1.27 -0.17 6.14 2.07 -1.54 -2.38 116.25 122.24 1h1t h VAL 150 Ca 0.14 -1.70 0.03 0.00 0.82 0.00 0.00 66.70 65.99 1h1t h VAL 150 Cb 0.23 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1h1t h VAL 150 CO -0.00 0.56 -0.01 -0.74 0.02 0.00 0.00 177.57 177.39 1h1t h HIS 151 N 0.69 -0.03 -0.76 1.57 -0.00 -0.67 0.54 115.15 116.49 1h1t h HIS 151 Ca 0.02 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 1h1t h HIS 151 Cb 1.13 0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 28.54 1h1t h HIS 151 CO 0.07 -0.04 0.45 1.96 -0.00 0.00 0.00 177.93 180.37 1h1t h GLN 152 N 0.04 1.04 -0.34 5.26 1.08 -1.32 -1.79 115.11 119.09 1h1t h GLN 152 Ca 0.08 -0.10 -0.09 0.00 -1.45 0.00 0.00 58.65 57.08 1h1t h GLN 152 Cb 0.10 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 1h1t h GLN 152 CO -0.14 0.75 -0.18 0.00 -0.95 0.00 0.00 178.83 178.31 1h1t h ALA 153 N 1.24 1.06 -0.42 3.87 0.00 -1.06 -2.65 119.26 121.30 1h1t h ALA 153 Ca 0.27 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1h1t h ALA 153 Cb -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1h1t h ALA 153 CO -0.05 0.57 -0.26 1.25 0.00 0.00 0.00 179.25 180.76 1h1t h LEU 154 N 0.56 0.90 -0.59 0.00 5.85 -0.43 -0.39 115.31 121.21 1h1t h LEU 154 Ca 0.09 -0.35 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 1h1t h LEU 154 Cb 0.62 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1h1t h LEU 154 CO 0.04 1.11 0.18 0.24 -0.34 0.00 0.00 178.44 179.67 1h1t h MET 155 N 0.75 0.92 -0.54 1.25 2.86 -1.19 -1.31 114.93 117.67 1h1t h MET 155 Ca 0.09 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 1h1t h MET 155 Cb 0.81 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 1h1t h MET 155 CO 0.07 0.83 0.13 0.00 1.06 0.00 0.00 176.91 179.00 1h1t h ALA 156 N 1.05 0.70 -0.62 6.32 0.00 -1.30 -1.47 119.26 123.95 1h1t h ALA 156 Ca 0.19 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1h1t h ALA 156 Cb 0.29 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1h1t h ALA 156 CO -0.00 0.40 0.40 -0.22 0.00 0.00 0.00 179.25 179.83 1h1t h LYS 157 N 0.75 0.79 0.00 0.00 1.63 -0.77 -2.86 116.57 116.10 1h1t h LYS 157 Ca 0.17 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1h1t h LYS 157 Cb 0.33 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 1h1t h LYS 157 CO 0.00 0.52 -0.14 -0.07 -3.45 0.00 0.00 179.45 176.31 1h1t h LEU 158 N 0.81 0.00 0.00 5.20 3.38 -1.11 -3.51 115.31 120.08 1h1t h LEU 158 Ca 0.24 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1h1t h LEU 158 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1h1t h LEU 158 CO -0.07 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.48