#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h2i n PHE 26 N -2.78 2.65 0.00 0.00 7.35 -1.26 -1.73 117.46 121.69 1h2i n PHE 26 Ca 0.06 0.25 0.00 0.00 -0.76 0.00 0.00 57.45 57.00 1h2i n PHE 26 Cb 0.20 -2.58 0.00 0.00 0.35 0.00 0.00 39.48 37.45 1h2i n PHE 26 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1h2i n GLY 27 N 2.58 1.85 0.00 7.13 0.00 -0.04 -4.85 105.19 111.86 1h2i n GLY 27 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1h2i n GLY 27 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h2i n GLN 28 N -2.00 2.22 -1.91 1.61 6.02 -0.71 -3.91 117.38 118.70 1h2i n GLN 28 Ca 0.00 -1.28 -0.30 0.00 -0.01 0.00 0.00 57.00 55.41 1h2i n GLN 28 Cb 0.00 -0.96 0.04 0.00 1.02 0.00 0.00 30.24 30.34 1h2i n GLN 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1h2i s GLN 30 N -5.32 1.25 0.36 0.00 0.74 -1.26 -4.19 119.66 111.24 1h2i s GLN 30 Ca 0.58 -0.39 -0.27 0.00 0.05 0.00 0.00 55.36 55.33 1h2i s GLN 30 Cb -0.11 -1.12 -0.09 0.00 1.10 0.00 0.00 33.01 32.78 1h2i s GLN 30 CO 0.52 0.13 1.24 0.71 -0.55 0.00 0.00 175.29 177.34 1h2i s TYR 31 N 0.23 3.07 0.55 1.67 1.51 -1.26 -5.00 117.35 118.13 1h2i s TYR 31 Ca -0.05 1.49 -0.16 0.00 -1.01 0.00 0.00 57.07 57.34 1h2i s TYR 31 Cb -0.10 -3.55 -0.06 0.00 -0.11 0.00 0.00 41.96 38.14 1h2i s TYR 31 CO 0.01 -1.59 1.02 0.95 -1.11 0.00 0.00 175.55 174.83 1h2i s THR 32 N -1.24 4.20 0.31 -0.71 -4.23 -1.26 -4.82 115.64 107.88 1h2i s THR 32 Ca 0.52 1.04 0.05 0.00 -1.18 0.00 0.00 61.69 62.12 1h2i s THR 32 Cb -0.36 -3.56 0.30 0.00 1.34 0.00 0.00 72.50 70.22 1h2i s THR 32 CO 0.47 -0.61 1.82 0.00 -0.54 0.00 0.00 174.62 175.75 1h2i h ALA 33 N 0.66 1.67 0.25 3.99 0.00 -1.99 -0.10 119.26 123.73 1h2i h ALA 33 Ca -0.47 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1h2i h ALA 33 Cb 1.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1h2i h ALA 33 CO 0.60 0.04 -0.12 1.49 0.00 0.00 0.00 179.25 181.26 1h2i h GLU 34 N 0.83 -0.32 -0.70 0.00 4.81 -1.99 -1.43 114.58 115.78 1h2i h GLU 34 Ca 0.51 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.75 1h2i h GLU 34 Cb 0.70 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 1h2i h GLU 34 CO -0.29 -0.04 0.38 1.49 -0.73 0.00 0.00 179.01 179.83 1h2i h GLU 35 N -0.60 0.97 -0.29 1.92 4.81 -1.86 -1.62 114.58 117.91 1h2i h GLU 35 Ca -0.03 -0.11 0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1h2i h GLU 35 Cb 0.43 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 1h2i h GLU 35 CO 0.06 0.73 -0.03 -0.92 -0.73 0.00 0.00 179.01 178.11 1h2i h TYR 36 N 0.96 -0.07 -0.46 0.92 3.20 -0.99 -1.03 116.97 119.50 1h2i h TYR 36 Ca 0.24 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.08 1h2i h TYR 36 Cb 0.04 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1h2i h TYR 36 CO -0.00 -0.08 0.07 0.37 -1.64 0.00 0.00 178.16 176.88 1h2i h GLN 37 N 0.05 0.76 -0.66 1.82 4.15 -1.00 0.56 115.11 120.79 1h2i h GLN 37 Ca 0.14 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 1h2i h GLN 37 Cb 0.19 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 1h2i h GLN 37 CO -0.26 0.78 0.38 0.00 -1.93 0.00 0.00 178.83 177.80 1h2i h ALA 38 N 0.95 0.85 -0.29 3.38 0.00 -1.07 -2.44 119.26 120.64 1h2i h ALA 38 Ca 0.14 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1h2i h ALA 38 Cb 0.39 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1h2i h ALA 38 CO 0.01 0.35 -0.30 0.82 0.00 0.00 0.00 179.25 180.13 1h2i h ILE 39 N 0.91 1.30 -0.68 0.00 2.04 -0.94 -0.61 117.51 119.52 1h2i h ILE 39 Ca 0.24 -1.47 0.11 0.00 1.00 0.00 0.00 64.86 64.73 1h2i h ILE 39 Cb 0.02 1.59 -0.08 0.00 -0.74 0.00 0.00 36.82 37.61 1h2i h ILE 39 CO -0.04 0.47 0.29 1.56 0.00 0.00 0.00 178.15 180.43 1h2i h GLN 40 N 0.46 0.46 0.02 2.37 1.08 -0.74 0.29 115.11 119.05 1h2i h GLN 40 Ca 0.04 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1h2i h GLN 40 Cb 0.88 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1h2i h GLN 40 CO 0.07 0.31 -0.01 0.87 -0.95 0.00 0.00 178.83 179.12 1h2i h LYS 41 N 0.48 -0.02 -0.43 1.46 1.57 -1.32 -3.15 116.57 115.16 1h2i h LYS 41 Ca 0.35 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.17 1h2i h LYS 41 Cb 0.45 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1h2i h LYS 41 CO -0.33 0.41 0.29 0.00 -0.57 0.00 0.00 179.45 179.25 1h2i h ALA 42 N 0.52 1.83 0.00 3.86 0.00 -0.56 -2.11 119.26 122.79 1h2i h ALA 42 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1h2i h ALA 42 Cb 0.44 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1h2i h ALA 42 CO 0.00 0.12 -0.13 -0.07 0.00 0.00 0.00 179.25 179.17 1h2i h LEU 43 N 0.46 0.00 -1.37 0.00 3.38 -0.91 -2.75 115.31 114.13 1h2i h LEU 43 Ca 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1h2i h LEU 43 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1h2i h LEU 43 CO -0.04 0.13 -0.31 0.03 0.09 0.00 0.00 178.44 178.33 1h2i h ARG 44 N 0.00 0.00 -6.72 1.13 3.08 -1.40 0.56 114.38 111.03 1h2i h ARG 44 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1h2i h ARG 44 Cb 0.28 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.44 1h2i h ARG 44 CO 0.02 0.31 0.47 1.04 -1.07 0.00 0.00 179.97 180.74 1h2i n GLN 45 N -4.03 2.05 -3.04 0.04 6.02 -1.04 -4.59 117.38 112.78 1h2i n GLN 45 Ca -0.02 0.72 -0.29 0.00 -0.01 0.00 0.00 57.00 57.40 1h2i n GLN 45 Cb 0.37 -2.28 -0.02 0.00 1.02 0.00 0.00 30.24 29.33 1h2i n GLN 45 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1h2i s ARG 46 N -1.83 3.66 0.08 -1.09 1.81 -1.26 -1.20 118.95 119.12 1h2i s ARG 46 Ca 0.56 0.18 -0.05 0.00 -1.72 0.00 0.00 55.73 54.69 1h2i s ARG 46 Cb -0.58 -2.51 -0.05 0.00 -0.45 0.00 0.00 34.95 31.36 1h2i s ARG 46 CO 0.62 0.04 0.31 -0.48 -0.68 0.00 0.00 175.30 175.12 1h2i s LEU 47 N -3.93 4.32 1.18 2.53 2.34 -1.26 -4.93 118.68 118.93 1h2i s LEU 47 Ca 0.47 0.55 -0.16 0.00 0.06 0.00 0.00 54.13 55.05 1h2i s LEU 47 Cb -0.10 -3.01 0.28 0.00 -0.56 0.00 0.00 46.19 42.79 1h2i s LEU 47 CO 0.34 0.15 1.05 -0.83 -1.06 0.00 0.00 176.35 175.99 1h2i s GLY 48 N -2.14 1.53 0.54 -3.48 0.00 -1.26 -4.89 107.32 97.62 1h2i s GLY 48 Ca 0.35 -0.52 0.21 0.00 0.00 0.00 0.00 44.72 44.76 1h2i s GLY 48 CO 0.22 0.26 2.16 -2.55 0.00 0.00 0.00 173.10 173.19 1h2i h PRO 49 N -2.56 0.00 0.00 2.90 0.11 -1.96 -2.23 132.00 128.26 1h2i h PRO 49 Ca -0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1h2i h PRO 49 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1h2i h PRO 49 CO 0.46 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.40 1h2i n GLU 50 N -4.30 0.03 -0.09 1.05 0.00 -1.26 -2.13 120.64 113.95 1h2i n GLU 50 Ca -0.01 0.33 -0.09 0.00 0.00 0.00 0.00 57.16 57.39 1h2i n GLU 50 Cb 0.16 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 29.97 1h2i n GLU 50 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1h2i n TYR 51 N -1.40 0.00 -2.86 -1.84 4.02 -0.84 -4.98 117.16 109.26 1h2i n TYR 51 Ca 0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.50 1h2i n TYR 51 Cb 0.05 -0.85 -0.05 0.00 -0.02 0.00 0.00 39.34 38.47 1h2i n TYR 51 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1h2i s ILE 52 N -2.42 4.69 0.32 -0.72 -1.09 -0.90 -4.44 121.20 116.63 1h2i s ILE 52 Ca -0.11 1.83 0.03 0.00 -2.23 0.00 0.00 60.65 60.17 1h2i s ILE 52 Cb 0.05 -4.21 -0.05 0.00 -1.58 0.00 0.00 42.46 36.67 1h2i s ILE 52 CO 0.68 0.31 0.08 -0.94 -1.23 0.00 0.00 174.94 173.85 1h2i s SER 53 N 0.16 2.14 0.13 3.58 1.04 -0.55 -4.98 113.70 115.22 1h2i s SER 53 Ca 0.43 -1.42 -0.10 0.00 0.48 0.00 0.00 55.95 55.33 1h2i s SER 53 Cb -0.21 0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1h2i s SER 53 CO 0.26 -0.69 0.28 -0.94 0.98 0.00 0.00 173.24 173.13 1h2i s SER 54 N -3.46 0.01 0.20 7.02 1.04 -1.26 -0.95 113.70 116.30 1h2i s SER 54 Ca 0.35 -0.68 -0.03 0.00 0.48 0.00 0.00 55.95 56.07 1h2i s SER 54 Cb 0.08 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 1h2i s SER 54 CO 0.15 -0.84 0.19 0.00 0.98 0.00 0.00 173.24 173.72 1h2i s ARG 55 N -3.90 1.24 -0.29 4.02 1.70 -0.49 -4.95 118.95 116.27 1h2i s ARG 55 Ca 0.10 -1.53 -0.18 0.00 -0.47 0.00 0.00 55.73 53.65 1h2i s ARG 55 Cb 0.03 0.31 -0.02 0.00 -0.57 0.00 0.00 34.95 34.70 1h2i s ARG 55 CO -0.06 -0.42 0.51 -1.64 -1.08 0.00 0.00 175.30 172.60 1h2i s MET 56 N -4.12 3.92 0.78 3.89 -1.94 -1.26 -1.38 119.30 119.19 1h2i s MET 56 Ca 0.34 0.14 -0.11 0.00 -1.71 0.00 0.00 55.69 54.35 1h2i s MET 56 Cb 0.06 -3.71 0.06 0.00 2.01 0.00 0.00 34.83 33.25 1h2i s MET 56 CO 0.10 -0.45 1.09 0.00 -0.01 0.00 0.00 175.02 175.76 1h2i s ALA 57 N 2.33 2.32 0.31 3.03 0.00 0.36 -4.88 121.76 125.23 1h2i s ALA 57 Ca 0.20 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.00 1h2i s ALA 57 Cb -0.16 -3.11 0.57 0.00 0.00 0.00 0.00 23.12 20.42 1h2i s ALA 57 CO 0.11 -1.66 1.93 0.78 0.00 0.00 0.00 175.76 176.92 1h2i h GLY 58 N -1.04 1.23 -0.97 0.00 0.00 -1.98 -0.50 103.07 99.82 1h2i h GLY 58 Ca -0.47 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.47 1h2i h GLY 58 CO 0.59 0.29 0.00 0.61 0.00 0.00 0.00 176.54 178.03 1h2i n GLY 59 N -1.41 0.78 3.44 4.60 0.00 -1.26 -4.72 105.19 106.62 1h2i n GLY 59 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1h2i n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2i n GLY 60 N 0.22 -0.53 3.10 -0.02 0.00 -0.20 -4.99 105.19 102.77 1h2i n GLY 60 Ca 0.00 0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1h2i n GLY 60 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1h2i s GLN 61 N -6.15 1.30 0.35 1.61 -2.07 -1.22 -4.89 119.66 108.59 1h2i s GLN 61 Ca 0.50 -0.50 -0.29 0.00 -1.82 0.00 0.00 55.36 53.25 1h2i s GLN 61 Cb -0.23 -1.21 -0.12 0.00 -1.09 0.00 0.00 33.01 30.37 1h2i s GLN 61 CO 0.62 0.26 1.45 1.17 -1.32 0.00 0.00 175.29 177.47 1h2i n LYS 62 N 2.94 2.51 -3.81 9.60 4.81 -1.26 -0.48 118.16 132.47 1h2i n LYS 62 Ca -0.16 0.88 -0.24 0.00 -0.87 0.00 0.00 58.31 57.92 1h2i n LYS 62 Cb 0.54 -2.58 -0.17 0.00 0.02 0.00 0.00 35.03 32.83 1h2i n LYS 62 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1h2i s VAL 63 N -0.86 0.56 0.15 3.15 1.01 -0.48 -4.85 120.40 119.08 1h2i s VAL 63 Ca 0.56 0.01 -0.10 0.00 0.00 0.00 0.00 61.98 62.46 1h2i s VAL 63 Cb -0.51 -0.67 -0.06 0.00 0.00 0.00 0.00 36.38 35.13 1h2i s VAL 63 CO 0.60 0.29 0.47 0.00 0.00 0.00 0.00 175.10 176.46 1h2i s TYR 65 N -1.60 -0.24 -0.09 0.00 -0.85 -0.12 -4.98 117.35 109.46 1h2i s TYR 65 Ca 0.40 -0.10 0.01 0.00 -0.52 0.00 0.00 57.07 56.86 1h2i s TYR 65 Cb -0.13 0.65 -0.02 0.00 0.38 0.00 0.00 41.96 42.84 1h2i s TYR 65 CO 0.21 -1.00 -0.10 0.42 -1.52 0.00 0.00 175.55 173.55 1h2i s ILE 66 N -3.64 3.37 0.21 -3.49 1.01 -1.26 -1.49 121.20 115.91 1h2i s ILE 66 Ca 0.09 -0.59 -0.30 0.00 0.00 0.00 0.00 60.65 59.86 1h2i s ILE 66 Cb -0.03 -2.38 -0.08 0.00 0.01 0.00 0.00 42.46 39.98 1h2i s ILE 66 CO 0.01 0.57 1.15 -1.61 0.00 0.00 0.00 174.94 175.06 1h2i s GLU 67 N -0.40 4.55 0.29 2.79 2.02 -1.26 -4.90 118.70 121.80 1h2i s GLU 67 Ca 0.05 1.83 0.00 0.00 0.02 0.00 0.00 54.97 56.87 1h2i s GLU 67 Cb -0.12 -3.23 0.69 0.00 0.10 0.00 0.00 34.13 31.57 1h2i s GLU 67 CO 0.02 0.02 1.59 0.78 0.02 0.00 0.00 175.26 177.70 1h2i h GLY 68 N 4.81 1.19 2.00 -1.39 0.00 -1.98 0.26 103.07 107.96 1h2i h GLY 68 Ca -0.45 0.12 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 1h2i h GLY 68 CO 0.72 -0.46 -0.14 1.12 0.00 0.00 0.00 176.54 177.78 1h2i h HIS 69 N 0.05 0.00 -0.10 5.60 2.07 -1.99 -0.02 115.15 120.75 1h2i h HIS 69 Ca 0.56 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.85 1h2i h HIS 69 Cb 1.13 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.12 1h2i h HIS 69 CO -0.45 0.14 -0.83 0.00 -3.07 0.00 0.00 177.93 173.71 1h2i h ARG 70 N 0.00 0.74 -0.75 5.12 2.47 -0.87 -2.42 114.38 118.67 1h2i h ARG 70 Ca -0.00 -0.66 -0.05 0.00 -1.26 0.00 0.00 59.98 58.01 1h2i h ARG 70 Cb 0.30 0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.75 1h2i h ARG 70 CO 0.02 1.26 0.29 0.28 0.56 0.00 0.00 179.97 182.38 1h2i h VAL 71 N 0.45 1.26 -0.47 2.04 2.07 -0.76 0.82 116.25 121.67 1h2i h VAL 71 Ca -0.08 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1h2i h VAL 71 Cb 1.47 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1h2i h VAL 71 CO 0.17 0.33 0.26 0.40 0.02 0.00 0.00 177.57 178.76 1h2i h ILE 72 N 1.10 1.16 -0.05 4.57 2.04 -1.02 -0.35 117.51 124.95 1h2i h ILE 72 Ca 0.25 -0.39 -0.12 0.00 1.00 0.00 0.00 64.86 65.60 1h2i h ILE 72 Cb 0.24 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1h2i h ILE 72 CO -0.02 0.17 -0.50 0.78 0.00 0.00 0.00 178.15 178.58 1h2i h ASN 73 N 0.62 0.15 -0.39 1.72 2.35 -1.02 -0.57 115.58 118.43 1h2i h ASN 73 Ca 0.17 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1h2i h ASN 73 Cb 0.03 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 1h2i h ASN 73 CO -0.03 0.63 0.20 -0.07 -1.65 0.00 0.00 177.43 176.50 1h2i h LEU 74 N 0.11 0.50 -0.40 1.61 3.38 -0.37 -0.94 115.31 119.20 1h2i h LEU 74 Ca 0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1h2i h LEU 74 Cb 0.93 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1h2i h LEU 74 CO 0.07 0.47 0.19 0.00 0.09 0.00 0.00 178.44 179.26 1h2i h ALA 75 N 1.05 0.52 -0.82 1.53 0.00 -0.68 0.24 119.26 121.10 1h2i h ALA 75 Ca 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1h2i h ALA 75 Cb 0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1h2i h ALA 75 CO -0.02 0.08 0.39 -0.91 0.00 0.00 0.00 179.25 178.79 1h2i h ASN 76 N 0.51 1.07 0.85 0.00 2.35 -0.89 -0.21 115.58 119.26 1h2i h ASN 76 Ca 0.14 -0.14 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 1h2i h ASN 76 Cb 0.12 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1h2i h ASN 76 CO -0.02 0.91 -0.67 -0.33 -1.65 0.00 0.00 177.43 175.67 1h2i h GLU 77 N 1.16 0.00 0.00 0.81 4.39 -0.93 0.38 114.58 120.39 1h2i h GLU 77 Ca 0.28 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.81 1h2i h GLU 77 Cb 0.12 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1h2i h GLU 77 CO -0.03 0.67 -0.66 1.98 -1.16 0.00 0.00 179.01 179.80 1h2i h MET 78 N 0.00 0.44 -0.00 2.33 4.05 -0.56 -3.39 114.93 117.80 1h2i h MET 78 Ca -0.01 -0.48 0.00 0.00 -0.28 0.00 0.00 59.70 58.93 1h2i h MET 78 Cb 1.27 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 32.21 1h2i h MET 78 CO 0.09 1.14 -0.19 1.19 0.23 0.00 0.00 176.91 179.37 1h2i n PHE 79 N -4.17 0.00 0.00 1.39 3.72 -0.12 -4.98 117.46 113.30 1h2i n PHE 79 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1h2i n PHE 79 Cb 0.70 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.24 1h2i n PHE 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1h2i n GLY 80 N 0.91 1.22 0.32 1.37 0.00 0.13 -3.13 105.19 106.01 1h2i n GLY 80 Ca 0.02 -1.61 0.16 0.00 0.00 0.00 0.00 46.02 44.59 1h2i n GLY 80 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1h2i h TYR 81 N 0.00 0.00 -0.37 1.61 -0.00 -1.89 -0.37 116.97 115.95 1h2i h TYR 81 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.70 1h2i h TYR 81 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 36.71 1h2i h TYR 81 CO 0.00 0.00 0.02 0.27 -0.00 0.00 0.00 178.16 178.45 1h2i n ASN 82 N -3.80 4.23 -0.26 0.10 2.04 -1.26 -4.55 115.26 111.76 1h2i n ASN 82 Ca -0.00 -3.08 0.06 0.00 -0.44 0.00 0.00 54.58 51.12 1h2i n ASN 82 Cb 0.23 -0.60 -0.01 0.00 -2.53 0.00 0.00 39.78 36.87 1h2i n ASN 82 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1h2i n GLY 83 N -0.31 -0.11 3.15 4.83 0.00 -0.15 -4.72 105.19 107.87 1h2i n GLY 83 Ca 0.25 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 1h2i n GLY 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1h2i s TRP 84 N -1.64 0.19 0.20 1.61 1.48 -1.26 -1.57 118.94 117.95 1h2i s TRP 84 Ca 0.10 -0.52 -0.11 0.00 -1.06 0.00 0.00 56.10 54.51 1h2i s TRP 84 Cb 0.10 -0.12 -0.00 0.00 -1.16 0.00 0.00 33.47 32.29 1h2i s TRP 84 CO 0.33 -0.42 0.37 0.00 -4.06 0.00 0.00 176.95 173.18 1h2i s ALA 85 N -3.00 -0.16 -0.04 2.67 0.00 0.19 -4.96 121.76 116.47 1h2i s ALA 85 Ca -0.02 -0.83 -0.21 0.00 0.00 0.00 0.00 51.96 50.91 1h2i s ALA 85 Cb 0.01 0.96 0.04 0.00 0.00 0.00 0.00 23.12 24.13 1h2i s ALA 85 CO -0.06 -0.73 0.45 -3.38 0.00 0.00 0.00 175.76 172.03 1h2i s HIS 86 N -3.98 -0.37 0.07 0.00 -3.43 -1.26 0.12 115.29 106.44 1h2i s HIS 86 Ca 0.19 0.63 -0.01 0.00 -0.80 0.00 0.00 55.06 55.07 1h2i s HIS 86 Cb 0.02 0.21 -0.04 0.00 -1.43 0.00 0.00 32.58 31.34 1h2i s HIS 86 CO 0.03 -0.46 -0.01 -1.54 -2.00 0.00 0.00 174.74 170.76 1h2i s SER 87 N -1.19 0.47 -0.52 7.38 1.04 -0.07 -4.98 113.70 115.83 1h2i s SER 87 Ca -0.12 -1.04 -0.16 0.00 0.48 0.00 0.00 55.95 55.11 1h2i s SER 87 Cb -0.03 0.22 0.11 0.00 0.10 0.00 0.00 66.02 66.42 1h2i s SER 87 CO 0.06 -0.62 0.47 -0.63 0.98 0.00 0.00 173.24 173.49 1h2i s ILE 88 N -3.94 5.21 0.38 -1.02 1.01 -1.26 -1.04 121.20 120.54 1h2i s ILE 88 Ca 0.11 -1.36 0.11 0.00 0.00 0.00 0.00 60.65 59.51 1h2i s ILE 88 Cb 0.08 -4.27 0.12 0.00 0.01 0.00 0.00 42.46 38.40 1h2i s ILE 88 CO -0.07 -0.78 1.87 0.71 0.00 0.00 0.00 174.94 176.67 1h2i h THR 89 N 5.85 1.22 -1.41 2.92 1.35 -1.06 -3.45 112.91 118.32 1h2i h THR 89 Ca -0.29 -1.02 0.12 0.00 -0.55 0.00 0.00 66.41 64.67 1h2i h THR 89 Cb 1.10 1.45 -0.25 0.00 -1.73 0.00 0.00 68.15 68.72 1h2i h THR 89 CO 0.99 0.30 0.66 -1.58 -0.25 0.00 0.00 175.52 175.63 1h2i s GLN 90 N -4.46 0.42 -0.08 4.72 0.74 -1.19 -4.99 119.66 114.82 1h2i s GLN 90 Ca -0.04 0.16 -0.00 0.00 0.05 0.00 0.00 55.36 55.53 1h2i s GLN 90 Cb 0.15 0.20 0.02 0.00 1.10 0.00 0.00 33.01 34.48 1h2i s GLN 90 CO 0.73 -0.12 -0.05 -1.14 -0.55 0.00 0.00 175.29 174.16 1h2i s GLN 91 N -0.85 1.07 -0.12 1.67 0.74 -1.26 0.00 119.66 120.90 1h2i s GLN 91 Ca 0.02 -0.11 0.02 0.00 0.05 0.00 0.00 55.36 55.34 1h2i s GLN 91 Cb -0.01 -1.18 0.01 0.00 1.10 0.00 0.00 33.01 32.93 1h2i s GLN 91 CO -0.03 -0.20 -0.18 1.21 -0.55 0.00 0.00 175.29 175.53 1h2i s ASN 92 N 1.50 2.75 -0.40 6.67 3.84 0.24 -5.00 114.94 124.53 1h2i s ASN 92 Ca -0.01 -0.51 -0.27 0.00 0.21 0.00 0.00 52.86 52.29 1h2i s ASN 92 Cb -0.13 -1.25 0.02 0.00 -0.55 0.00 0.00 41.25 39.34 1h2i s ASN 92 CO -0.04 0.05 0.99 -0.69 -2.79 0.00 0.00 177.10 174.62 1h2i s VAL 93 N 0.87 4.48 0.20 -5.21 1.01 -1.26 -1.51 120.40 118.98 1h2i s VAL 93 Ca -0.08 1.20 -0.02 0.00 0.00 0.00 0.00 61.98 63.08 1h2i s VAL 93 Cb -0.15 -4.42 -0.05 0.00 0.00 0.00 0.00 36.38 31.76 1h2i s VAL 93 CO -0.01 -0.68 1.52 0.44 0.00 0.00 0.00 175.10 176.37 1h2i h ASP 94 N 8.68 0.59 -3.83 3.32 3.45 -0.70 -3.48 116.42 124.44 1h2i h ASP 94 Ca -0.23 -0.31 0.20 0.00 0.43 0.00 0.00 57.03 57.12 1h2i h ASP 94 Cb 1.07 -0.17 -0.23 0.00 -0.56 0.00 0.00 39.33 39.44 1h2i h ASP 94 CO 1.03 1.01 0.77 0.72 -1.57 0.00 0.00 179.24 181.20 1h2i s PHE 95 N -4.00 -0.17 -0.31 4.55 -0.12 -1.19 -4.98 117.98 111.77 1h2i s PHE 95 Ca -0.07 0.23 -0.02 0.00 -0.05 0.00 0.00 56.93 57.03 1h2i s PHE 95 Cb 0.11 0.49 0.10 0.00 -0.63 0.00 0.00 43.02 43.10 1h2i s PHE 95 CO 0.84 -0.20 0.11 0.08 -0.05 0.00 0.00 175.22 176.00 1h2i s VAL 96 N -1.59 0.54 -0.09 -2.49 1.01 -1.26 -2.44 120.40 114.08 1h2i s VAL 96 Ca 0.06 -1.21 -0.03 0.00 0.00 0.00 0.00 61.98 60.80 1h2i s VAL 96 Cb -0.01 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1h2i s VAL 96 CO -0.04 -0.71 0.02 -1.81 0.00 0.00 0.00 175.10 172.56 1h2i s ASP 97 N 1.75 5.36 -0.34 3.32 1.01 0.10 -4.94 116.67 122.93 1h2i s ASP 97 Ca 0.10 0.17 -0.02 0.00 0.71 0.00 0.00 52.55 53.51 1h2i s ASP 97 Cb -0.17 -1.55 0.07 0.00 1.01 0.00 0.00 42.92 42.28 1h2i s ASP 97 CO -0.28 0.37 0.08 -0.22 0.21 0.00 0.00 175.17 175.33 1h2i s LEU 98 N -0.85 4.41 0.00 1.23 2.96 -1.26 0.56 118.68 125.74 1h2i s LEU 98 Ca 0.13 -1.56 0.11 0.00 -0.22 0.00 0.00 54.13 52.58 1h2i s LEU 98 Cb -0.11 -1.76 0.16 0.00 0.50 0.00 0.00 46.19 44.98 1h2i s LEU 98 CO 0.02 -0.36 0.98 0.59 -1.32 0.00 0.00 176.35 176.26 1h2i n ASN 99 N 4.60 2.24 0.00 3.68 5.03 -0.83 -4.96 115.26 125.02 1h2i n ASN 99 Ca -0.09 -1.64 0.00 0.00 0.87 0.00 0.00 54.58 53.73 1h2i n ASN 99 Cb 0.43 -0.08 0.00 0.00 -1.02 0.00 0.00 39.78 39.11 1h2i n ASN 99 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1h2i n ASN 100 N 0.57 0.00 -0.01 6.41 3.02 -1.26 -4.91 115.26 119.07 1h2i n ASN 100 Ca 0.08 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.64 1h2i n ASN 100 Cb 0.32 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.50 1h2i n ASN 100 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h2i n GLY 101 N 0.00 2.41 3.56 7.41 0.00 -1.26 -5.04 105.19 112.27 1h2i n GLY 101 Ca 0.00 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 1h2i n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h2i s LYS 102 N -1.00 2.01 -0.10 1.61 1.02 -1.26 -4.47 119.74 117.55 1h2i s LYS 102 Ca 0.02 -1.33 -0.03 0.00 0.02 0.00 0.00 55.97 54.66 1h2i s LYS 102 Cb 0.02 -2.11 -0.03 0.00 -0.52 0.00 0.00 37.83 35.18 1h2i s LYS 102 CO 0.00 0.42 0.03 -0.06 -0.92 0.00 0.00 175.35 174.83 1h2i s PHE 103 N -1.78 3.26 -0.21 3.18 0.40 0.33 -1.97 117.98 121.20 1h2i s PHE 103 Ca 0.25 0.27 0.01 0.00 -0.60 0.00 0.00 56.93 56.85 1h2i s PHE 103 Cb -0.08 -1.83 0.03 0.00 0.51 0.00 0.00 43.02 41.64 1h2i s PHE 103 CO 0.15 0.52 -0.15 0.71 0.70 0.00 0.00 175.22 177.15 1h2i s TYR 104 N -0.89 2.93 -0.06 0.36 1.51 0.19 -1.57 117.35 119.83 1h2i s TYR 104 Ca 0.13 -1.71 0.02 0.00 -1.01 0.00 0.00 57.07 54.51 1h2i s TYR 104 Cb -0.12 -1.96 0.01 0.00 -0.11 0.00 0.00 41.96 39.79 1h2i s TYR 104 CO 0.03 -0.79 -0.11 0.08 -1.11 0.00 0.00 175.55 173.65 1h2i s VAL 105 N 1.27 1.00 -0.17 0.71 1.01 0.15 0.02 120.40 124.39 1h2i s VAL 105 Ca 0.02 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1h2i s VAL 105 Cb -0.15 -0.92 0.02 0.00 0.00 0.00 0.00 36.38 35.33 1h2i s VAL 105 CO -0.09 0.32 -0.18 -0.83 0.00 0.00 0.00 175.10 174.32 1h2i s GLY 106 N 0.65 1.31 0.00 4.51 0.00 -1.02 -1.71 107.32 111.06 1h2i s GLY 106 Ca -0.13 -1.13 0.06 0.00 0.00 0.00 0.00 44.72 43.52 1h2i s GLY 106 CO 0.03 0.38 -0.17 0.14 0.00 0.00 0.00 173.10 173.48 1h2i s VAL 107 N 1.35 1.36 0.10 1.40 1.01 0.42 0.10 120.40 126.15 1h2i s VAL 107 Ca 0.05 -0.84 0.09 0.00 0.00 0.00 0.00 61.98 61.28 1h2i s VAL 107 Cb -0.13 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 1h2i s VAL 107 CO -0.12 0.30 -0.23 0.00 0.00 0.00 0.00 175.10 175.05 1h2i s ALA 109 N -1.06 0.48 -0.29 0.00 0.00 -0.65 -0.60 121.76 119.64 1h2i s ALA 109 Ca 0.09 -0.30 -0.07 0.00 0.00 0.00 0.00 51.96 51.67 1h2i s ALA 109 Cb -0.10 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.92 1h2i s ALA 109 CO 0.04 0.10 0.09 -0.06 0.00 0.00 0.00 175.76 175.93 1h2i s PHE 110 N -0.28 3.14 -0.15 0.00 0.40 0.10 -0.34 117.98 120.86 1h2i s PHE 110 Ca 0.01 -0.82 -0.02 0.00 -0.60 0.00 0.00 56.93 55.49 1h2i s PHE 110 Cb -0.03 -2.27 -0.02 0.00 0.51 0.00 0.00 43.02 41.21 1h2i s PHE 110 CO -0.00 -0.52 -0.08 0.08 0.70 0.00 0.00 175.22 175.40 1h2i s VAL 111 N 1.54 3.48 -0.22 -0.44 1.01 -0.54 -0.35 120.40 124.88 1h2i s VAL 111 Ca 0.04 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 1h2i s VAL 111 Cb -0.17 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 1h2i s VAL 111 CO 0.03 0.50 -0.00 -0.60 0.00 0.00 0.00 175.10 175.03 1h2i s ARG 112 N 0.44 3.52 -0.01 2.72 3.52 -0.21 -1.52 118.95 127.41 1h2i s ARG 112 Ca -0.06 -0.56 0.04 0.00 -0.13 0.00 0.00 55.73 55.02 1h2i s ARG 112 Cb -0.15 -3.11 -0.03 0.00 -1.56 0.00 0.00 34.95 30.10 1h2i s ARG 112 CO 0.04 -0.13 -0.11 0.54 -0.81 0.00 0.00 175.30 174.83 1h2i s VAL 113 N 1.36 3.35 0.06 7.11 0.11 -0.05 -0.89 120.40 131.46 1h2i s VAL 113 Ca 0.04 -0.80 0.04 0.00 -2.93 0.00 0.00 61.98 58.33 1h2i s VAL 113 Cb -0.15 -2.41 -0.03 0.00 -1.53 0.00 0.00 36.38 32.27 1h2i s VAL 113 CO 0.00 0.46 -0.11 -1.58 -3.33 0.00 0.00 175.10 170.54 1h2i s GLN 114 N -1.18 0.70 0.30 1.54 0.74 0.12 -1.61 119.66 120.26 1h2i s GLN 114 Ca 0.15 -0.90 0.04 0.00 0.05 0.00 0.00 55.36 54.70 1h2i s GLN 114 Cb -0.11 -0.55 -0.02 0.00 1.10 0.00 0.00 33.01 33.43 1h2i s GLN 114 CO 0.05 0.11 0.44 -0.51 -0.55 0.00 0.00 175.29 174.83 1h2i s LEU 115 N -1.79 4.13 0.38 3.68 1.02 0.27 0.56 118.68 126.93 1h2i s LEU 115 Ca -0.04 0.07 0.25 0.00 0.02 0.00 0.00 54.13 54.42 1h2i s LEU 115 Cb -0.09 -2.91 1.33 0.00 0.02 0.00 0.00 46.19 44.54 1h2i s LEU 115 CO 0.01 -0.25 1.74 0.07 0.02 0.00 0.00 176.35 177.94 1h2i h LYS 116 N 0.98 0.00 -0.17 1.70 2.10 -1.58 0.38 116.57 119.98 1h2i h LYS 116 Ca -0.49 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.05 1h2i h LYS 116 Cb 1.24 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.56 1h2i h LYS 116 CO 0.58 0.00 -0.37 0.22 -2.00 0.00 0.00 179.45 177.88 1h2i h ASP 117 N 0.00 0.38 0.00 7.07 -0.00 -1.84 0.20 116.42 122.23 1h2i h ASP 117 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 57.03 56.88 1h2i h ASP 117 Cb 0.07 -0.11 0.00 0.00 -0.00 0.00 0.00 39.33 39.29 1h2i h ASP 117 CO 0.00 0.73 0.00 0.61 -0.00 0.00 0.00 179.24 180.58 1h2i n GLY 118 N -0.19 1.54 3.77 -0.78 0.00 0.13 -4.58 105.19 105.08 1h2i n GLY 118 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1h2i n GLY 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h2i s SER 119 N -1.66 5.37 0.21 1.61 1.04 -1.26 -4.76 113.70 114.25 1h2i s SER 119 Ca 0.00 2.18 -0.19 0.00 0.48 0.00 0.00 55.95 58.42 1h2i s SER 119 Cb 0.00 -2.58 0.03 0.00 0.10 0.00 0.00 66.02 63.58 1h2i s SER 119 CO 0.00 -1.46 0.58 -0.72 0.98 0.00 0.00 173.24 172.62 1h2i s TYR 120 N -1.89 -0.19 -0.13 5.02 -0.85 -1.26 -0.57 117.35 117.47 1h2i s TYR 120 Ca 0.72 -0.15 -0.11 0.00 -0.52 0.00 0.00 57.07 57.01 1h2i s TYR 120 Cb -0.25 0.48 0.04 0.00 0.38 0.00 0.00 41.96 42.61 1h2i s TYR 120 CO 0.33 -0.97 0.34 -1.01 -1.52 0.00 0.00 175.55 172.72 1h2i s HIS 121 N -3.86 -0.39 0.00 -3.49 3.76 -0.63 -5.01 115.29 105.67 1h2i s HIS 121 Ca 0.08 0.94 0.05 0.00 -0.15 0.00 0.00 55.06 55.98 1h2i s HIS 121 Cb -0.02 0.14 -0.01 0.00 1.11 0.00 0.00 32.58 33.79 1h2i s HIS 121 CO -0.02 -0.20 -0.15 -2.00 -0.85 0.00 0.00 174.74 171.52 1h2i s GLU 122 N 0.35 1.12 0.23 1.40 2.12 -1.26 -0.88 118.70 121.79 1h2i s GLU 122 Ca -0.01 -0.60 -0.09 0.00 0.36 0.00 0.00 54.97 54.63 1h2i s GLU 122 Cb -0.03 -1.10 -0.02 0.00 0.26 0.00 0.00 34.13 33.24 1h2i s GLU 122 CO -0.01 0.29 0.36 0.34 -0.54 0.00 0.00 175.26 175.70 1h2i s ASP 123 N -0.58 -0.01 0.06 -1.70 -1.08 -0.58 -4.91 116.67 107.87 1h2i s ASP 123 Ca 0.05 -1.08 -0.05 0.00 -0.52 0.00 0.00 52.55 50.95 1h2i s ASP 123 Cb -0.06 0.51 -0.05 0.00 -1.46 0.00 0.00 42.92 41.86 1h2i s ASP 123 CO 0.00 -1.03 0.29 0.68 0.52 0.00 0.00 175.17 175.63 1h2i s VAL 124 N -4.06 5.28 0.21 1.11 -7.23 -1.26 -1.47 120.40 112.97 1h2i s VAL 124 Ca 0.28 0.03 0.11 0.00 -1.81 0.00 0.00 61.98 60.60 1h2i s VAL 124 Cb 0.02 -3.60 -0.05 0.00 0.56 0.00 0.00 36.38 33.32 1h2i s VAL 124 CO 0.10 0.23 -0.23 -0.83 -0.31 0.00 0.00 175.10 174.06 1h2i s GLY 125 N -2.05 1.74 0.02 2.32 0.00 0.54 -4.49 107.32 105.41 1h2i s GLY 125 Ca 0.33 -1.69 0.05 0.00 0.00 0.00 0.00 44.72 43.41 1h2i s GLY 125 CO 0.21 -1.73 -0.15 -0.47 0.00 0.00 0.00 173.10 170.96 1h2i s TYR 126 N -1.86 1.28 -0.05 1.90 5.04 -1.26 -1.64 117.35 120.77 1h2i s TYR 126 Ca 0.23 -0.32 0.04 0.00 -2.44 0.00 0.00 57.07 54.57 1h2i s TYR 126 Cb -0.07 -0.78 -0.00 0.00 0.35 0.00 0.00 41.96 41.46 1h2i s TYR 126 CO 0.11 0.02 -0.16 0.20 -1.34 0.00 0.00 175.55 174.38 1h2i s GLY 127 N -0.91 0.90 -0.01 8.97 0.00 0.24 -3.94 107.32 112.57 1h2i s GLY 127 Ca 0.03 -0.64 0.04 0.00 0.00 0.00 0.00 44.72 44.15 1h2i s GLY 127 CO 0.01 -0.27 -0.12 0.14 0.00 0.00 0.00 173.10 172.85 1h2i s VAL 128 N 0.14 0.95 -0.15 1.40 1.01 -1.26 -0.44 120.40 122.05 1h2i s VAL 128 Ca -0.06 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 1h2i s VAL 128 Cb -0.12 -0.80 0.06 0.00 0.00 0.00 0.00 36.38 35.52 1h2i s VAL 128 CO 0.03 0.25 0.12 -0.55 0.00 0.00 0.00 175.10 174.94 1h2i s SER 129 N -0.34 1.86 -0.08 3.32 0.15 -0.69 -4.55 113.70 113.35 1h2i s SER 129 Ca 0.04 -0.36 0.03 0.00 0.70 0.00 0.00 55.95 56.36 1h2i s SER 129 Cb -0.05 -0.06 0.01 0.00 -1.71 0.00 0.00 66.02 64.21 1h2i s SER 129 CO -0.00 -0.32 -0.17 -1.61 1.20 0.00 0.00 173.24 172.34 1h2i s GLU 130 N 2.19 2.25 0.00 5.44 2.02 -1.26 -0.68 118.70 128.67 1h2i s GLU 130 Ca 0.03 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.43 1h2i s GLU 130 Cb -0.15 -1.79 0.00 0.00 0.10 0.00 0.00 34.13 32.29 1h2i s GLU 130 CO -0.08 0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.67 1h2i n GLY 131 N 3.77 2.00 3.80 -1.39 0.00 -0.61 -5.01 105.19 107.75 1h2i n GLY 131 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 1h2i n GLY 131 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h2i s LEU 132 N 0.00 3.09 0.01 0.99 1.43 -1.25 -4.60 118.68 118.34 1h2i s LEU 132 Ca 0.00 1.71 0.22 0.00 -1.03 0.00 0.00 54.13 55.03 1h2i s LEU 132 Cb 0.00 -4.51 -0.15 0.00 0.03 0.00 0.00 46.19 41.56 1h2i s LEU 132 CO 0.00 -1.70 0.85 0.29 0.23 0.00 0.00 176.35 176.02 1h2i n LYS 133 N -3.28 0.24 -3.05 1.70 5.02 -1.26 -0.51 118.16 117.02 1h2i n LYS 133 Ca 0.08 -0.05 -0.41 0.00 -2.02 0.00 0.00 58.31 55.91 1h2i n LYS 133 Cb 0.53 -1.53 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 1h2i n LYS 133 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1h2i s SER 134 N -3.64 6.66 0.03 4.39 0.15 -1.26 -4.81 113.70 115.21 1h2i s SER 134 Ca 0.03 0.81 -0.25 0.00 0.70 0.00 0.00 55.95 57.23 1h2i s SER 134 Cb 0.15 -2.37 -0.17 0.00 -1.71 0.00 0.00 66.02 61.92 1h2i s SER 134 CO 0.85 -0.41 1.44 0.50 1.20 0.00 0.00 173.24 176.83 1h2i h LYS 135 N 7.82 -0.22 -0.19 5.44 3.64 -1.98 -1.04 116.57 130.04 1h2i h LYS 135 Ca -0.26 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.19 1h2i h LYS 135 Cb 1.11 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.92 1h2i h LYS 135 CO 0.80 0.04 -0.20 0.00 -2.27 0.00 0.00 179.45 177.82 1h2i h ALA 136 N 0.32 -0.11 -0.07 5.00 0.00 -1.99 0.81 119.26 123.22 1h2i h ALA 136 Ca -0.02 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1h2i h ALA 136 Cb 0.36 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1h2i h ALA 136 CO 0.04 -0.64 -0.12 -0.07 0.00 0.00 0.00 179.25 178.45 1h2i h LEU 137 N -0.23 0.10 -0.07 0.00 -0.00 -1.97 -0.08 115.31 113.06 1h2i h LEU 137 Ca 0.12 -0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 57.95 1h2i h LEU 137 Cb 0.41 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.04 1h2i h LEU 137 CO -0.32 0.24 -0.08 0.28 -0.00 0.00 0.00 178.44 178.56 1h2i h SER 138 N 0.10 0.19 -0.29 -0.43 0.02 0.04 -2.40 113.55 110.77 1h2i h SER 138 Ca 0.02 -0.50 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1h2i h SER 138 Cb 0.29 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1h2i h SER 138 CO 0.02 0.65 0.19 -0.07 -1.14 0.00 0.00 176.83 176.48 1h2i h LEU 139 N -0.27 0.34 -0.54 5.07 -0.00 -0.64 -1.88 115.31 117.39 1h2i h LEU 139 Ca 0.01 -0.02 0.07 0.00 -0.00 0.00 0.00 57.88 57.93 1h2i h LEU 139 Cb 0.60 -0.09 -0.06 0.00 -0.00 0.00 0.00 40.66 41.12 1h2i h LEU 139 CO 0.02 0.26 0.23 -0.08 -0.00 0.00 0.00 178.44 178.87 1h2i h GLU 140 N 0.39 0.43 -0.11 1.13 4.81 -1.03 0.11 114.58 120.31 1h2i h GLU 140 Ca 0.11 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1h2i h GLU 140 Cb -0.03 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 1h2i h GLU 140 CO -0.02 0.28 0.03 -0.22 -0.73 0.00 0.00 179.01 178.35 1h2i h LYS 141 N 0.44 0.17 -0.49 1.92 3.64 -1.26 -2.17 116.57 118.82 1h2i h LYS 141 Ca 0.26 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.50 1h2i h LYS 141 Cb 0.24 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1h2i h LYS 141 CO -0.23 0.33 -0.10 0.00 -2.27 0.00 0.00 179.45 177.18 1h2i h ALA 142 N 0.83 0.91 -0.23 5.00 0.00 -0.94 -1.74 119.26 123.10 1h2i h ALA 142 Ca 0.03 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1h2i h ALA 142 Cb 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1h2i h ALA 142 CO -0.00 0.63 -0.13 0.00 0.00 0.00 0.00 179.25 179.75 1h2i h ARG 143 N 0.80 0.49 -0.55 0.00 3.08 -0.76 -1.99 114.38 115.44 1h2i h ARG 143 Ca 0.13 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 1h2i h ARG 143 Cb 0.61 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1h2i h ARG 143 CO 0.04 0.78 0.21 0.87 -1.07 0.00 0.00 179.97 180.79 1h2i h LYS 144 N 0.19 0.84 -0.12 0.04 1.57 -1.34 -2.88 116.57 114.87 1h2i h LYS 144 Ca 0.05 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.57 1h2i h LYS 144 Cb 0.64 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1h2i h LYS 144 CO 0.04 0.74 -0.38 0.93 -0.57 0.00 0.00 179.45 180.21 1h2i h GLU 145 N 0.76 0.26 -0.76 3.15 5.08 -1.31 -2.26 114.58 119.49 1h2i h GLU 145 Ca 0.18 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1h2i h GLU 145 Cb 0.22 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1h2i h GLU 145 CO -0.01 0.61 0.40 0.00 -1.00 0.00 0.00 179.01 179.00 1h2i h ALA 146 N 1.39 0.98 0.38 3.43 0.00 -1.18 0.19 119.26 124.45 1h2i h ALA 146 Ca 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1h2i h ALA 146 Cb 0.77 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1h2i h ALA 146 CO 0.06 0.51 -0.18 0.28 0.00 0.00 0.00 179.25 179.92 1h2i h VAL 147 N 1.06 0.62 -0.91 0.00 2.07 -1.28 -0.40 116.25 117.41 1h2i h VAL 147 Ca 0.27 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.45 1h2i h VAL 147 Cb 0.07 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 1h2i h VAL 147 CO -0.04 0.07 0.60 0.74 0.02 0.00 0.00 177.57 178.96 1h2i h THR 148 N -0.72 1.15 -0.60 2.57 2.02 -1.28 0.16 112.91 116.20 1h2i h THR 148 Ca -0.05 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 66.67 1h2i h THR 148 Cb 0.50 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1h2i h THR 148 CO 0.09 0.21 0.12 -0.78 0.37 0.00 0.00 175.52 175.53 1h2i h ASP 149 N 1.13 0.94 -0.43 4.18 -0.00 -0.53 -0.61 116.42 121.10 1h2i h ASP 149 Ca 0.36 -0.25 -0.14 0.00 -0.00 0.00 0.00 57.03 57.01 1h2i h ASP 149 Cb 0.03 -0.25 -0.01 0.00 -0.00 0.00 0.00 39.33 39.10 1h2i h ASP 149 CO -0.11 0.94 -0.25 1.23 -0.00 0.00 0.00 179.24 181.05 1h2i h GLY 150 N 0.89 1.04 0.97 -0.78 0.00 -0.07 -0.29 103.07 104.84 1h2i h GLY 150 Ca 0.19 -0.94 -0.01 0.00 0.00 0.00 0.00 47.33 46.56 1h2i h GLY 150 CO 0.01 0.86 0.24 -2.00 0.00 0.00 0.00 176.54 175.64 1h2i h LEU 151 N 0.82 0.57 -0.38 3.11 5.85 -0.43 -0.50 115.31 124.35 1h2i h LEU 151 Ca 0.10 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1h2i h LEU 151 Cb 0.83 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1h2i h LEU 151 CO 0.07 0.50 0.18 0.11 -0.34 0.00 0.00 178.44 178.96 1h2i h LYS 152 N 0.59 0.55 -0.78 1.25 1.57 -0.90 -1.01 116.57 117.84 1h2i h LYS 152 Ca 0.16 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1h2i h LYS 152 Cb 0.07 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 1h2i h LYS 152 CO -0.02 0.49 0.35 0.00 -0.57 0.00 0.00 179.45 179.70 1h2i h ARG 153 N 0.47 1.14 -0.38 3.15 3.08 -0.75 -2.04 114.38 119.05 1h2i h ARG 153 Ca 0.13 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1h2i h ARG 153 Cb 0.13 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1h2i h ARG 153 CO -0.02 0.90 0.20 0.00 -1.07 0.00 0.00 179.97 179.98 1h2i h ALA 154 N 1.18 0.48 -0.12 0.04 0.00 -0.83 -2.59 119.26 117.43 1h2i h ALA 154 Ca 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1h2i h ALA 154 Cb 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1h2i h ALA 154 CO -0.03 0.02 0.05 -0.07 0.00 0.00 0.00 179.25 179.22 1h2i h LEU 155 N 0.48 0.14 -1.97 0.00 4.07 -0.88 -2.24 115.31 114.90 1h2i h LEU 155 Ca 0.13 -0.01 0.11 0.00 0.08 0.00 0.00 57.88 58.19 1h2i h LEU 155 Cb 0.08 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 1h2i h LEU 155 CO -0.02 0.14 0.28 0.03 -1.08 0.00 0.00 178.44 177.79 1h2i h ARG 156 N 0.17 0.03 0.00 1.13 3.08 -0.95 -1.48 114.38 116.35 1h2i h ARG 156 Ca 0.04 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1h2i h ARG 156 Cb 0.04 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1h2i h ARG 156 CO -0.01 0.02 0.00 0.77 -1.07 0.00 0.00 179.97 179.68 1h2i h SER 157 N 0.03 0.00 1.51 7.04 0.02 -1.49 -1.90 113.55 118.77 1h2i h SER 157 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1h2i h SER 157 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1h2i h SER 157 CO -0.01 0.00 0.00 -0.26 -1.14 0.00 0.00 176.83 175.42 1h2i h PHE 158 N 0.00 0.00 0.00 3.45 -1.00 -1.47 -3.49 116.94 114.43 1h2i h PHE 158 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1h2i h PHE 158 Cb 0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.58 1h2i h PHE 158 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1h2i n GLY 159 N 1.12 1.02 0.19 -1.45 0.00 -0.71 -4.94 105.19 100.41 1h2i n GLY 159 Ca 0.05 -1.75 -0.06 0.00 0.00 0.00 0.00 46.02 44.26 1h2i n GLY 159 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1h2i h ASN 160 N 0.00 0.37 -0.02 1.61 2.35 -1.57 -1.80 115.58 116.51 1h2i h ASN 160 Ca 0.00 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1h2i h ASN 160 Cb 0.00 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 1h2i h ASN 160 CO 0.00 0.26 0.18 0.00 -1.65 0.00 0.00 177.43 176.22 1h2i h ALA 161 N 1.22 1.26 -0.57 -0.83 0.00 0.57 0.21 119.26 121.12 1h2i h ALA 161 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1h2i h ALA 161 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1h2i h ALA 161 CO -0.11 -0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.22 1h2i n LEU 162 N -3.08 3.68 0.00 0.00 7.99 -0.74 -4.93 117.00 119.93 1h2i n LEU 162 Ca -0.02 -2.08 0.00 0.00 -0.01 0.00 0.00 56.01 53.90 1h2i n LEU 162 Cb 0.25 -0.41 0.00 0.00 -0.11 0.00 0.00 43.42 43.15 1h2i n LEU 162 CO 0.18 0.87 0.00 0.61 -1.51 0.00 0.00 177.39 177.54 1h2i n GLY 163 N 1.12 1.22 0.30 -0.72 0.00 0.73 -3.98 105.19 103.86 1h2i n GLY 163 Ca 0.20 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.42 1h2i n GLY 163 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1h2i h ASN 164 N 0.00 0.00 -0.22 1.61 -0.00 -1.30 -2.56 115.58 113.11 1h2i h ASN 164 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 56.15 1h2i h ASN 164 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1h2i h ASN 164 CO 0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 177.43 176.97 1h2i n ILE 166 N -4.16 0.00 -0.05 0.00 0.00 -0.97 0.12 119.36 114.30 1h2i n ILE 166 Ca -0.06 0.67 0.04 0.00 0.00 0.00 0.00 62.75 63.41 1h2i n ILE 166 Cb 0.57 -1.14 0.11 0.00 0.00 0.00 0.00 39.64 39.17 1h2i n ILE 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1h2i n LEU 167 N -2.65 2.55 -4.55 9.51 -0.00 -1.26 -4.92 117.00 115.69 1h2i n LEU 167 Ca 0.17 -1.82 -0.42 0.00 -0.00 0.00 0.00 56.01 53.94 1h2i n LEU 167 Cb 0.88 -0.15 -0.03 0.00 -0.00 0.00 0.00 43.42 44.12 1h2i n LEU 167 CO 0.17 0.62 1.00 -0.62 -0.00 0.00 0.00 177.39 178.56 1h2i s ASP 168 N -0.95 6.34 0.44 1.45 3.68 0.32 -4.92 116.67 123.02 1h2i s ASP 168 Ca 0.17 -0.20 0.21 0.00 2.13 0.00 0.00 52.55 54.85 1h2i s ASP 168 Cb 0.09 -2.52 1.18 0.00 -1.45 0.00 0.00 42.92 40.22 1h2i s ASP 168 CO 0.12 -1.50 1.84 0.11 0.13 0.00 0.00 175.17 175.87 1h2i h LYS 169 N 9.60 0.31 0.00 4.34 1.57 -1.91 0.33 116.57 130.80 1h2i h LYS 169 Ca -0.26 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.41 1h2i h LYS 169 Cb 1.06 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1h2i h LYS 169 CO 1.18 0.20 -0.44 -0.44 -0.57 0.00 0.00 179.45 179.38 1h2i h ASP 170 N 0.32 0.00 -0.03 0.86 3.32 -1.96 -0.50 116.42 118.43 1h2i h ASP 170 Ca 0.50 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.38 1h2i h ASP 170 Cb 1.39 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.96 1h2i h ASP 170 CO -0.17 0.44 -0.64 0.22 -1.72 0.00 0.00 179.24 177.37 1h2i h TYR 171 N 0.00 0.71 -0.30 4.55 3.20 -1.31 -2.27 116.97 121.54 1h2i h TYR 171 Ca -0.00 -0.36 -0.01 0.00 3.14 0.00 0.00 58.73 61.50 1h2i h TYR 171 Cb 0.83 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 1h2i h TYR 171 CO 0.00 1.17 0.17 -0.07 -1.64 0.00 0.00 178.16 177.79 1h2i h LEU 172 N 0.04 0.37 0.05 2.82 3.38 -1.15 -1.67 115.31 119.15 1h2i h LEU 172 Ca -0.07 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1h2i h LEU 172 Cb 1.33 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 1h2i h LEU 172 CO 0.13 0.35 -0.27 -0.09 0.09 0.00 0.00 178.44 178.64 1h2i h ARG 173 N 0.37 -0.43 0.00 1.13 2.43 -1.10 -0.73 114.38 116.04 1h2i h ARG 173 Ca 0.11 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1h2i h ARG 173 Cb 0.05 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1h2i h ARG 173 CO -0.02 -0.29 0.00 -1.13 -1.51 0.00 0.00 179.97 177.03 1h2i n SER 174 N -5.39 0.00 0.07 -3.80 3.41 -0.86 -1.82 113.62 105.23 1h2i n SER 174 Ca -0.06 0.07 -0.20 0.00 -0.26 0.00 0.00 58.87 58.43 1h2i n SER 174 Cb 0.30 -0.30 -0.15 0.00 -0.26 0.00 0.00 64.21 63.81 1h2i n SER 174 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1h2i h LEU 175 N 0.00 0.50 -1.35 1.04 3.38 -0.18 -3.31 115.31 115.38 1h2i h LEU 175 Ca 0.00 -0.72 -0.03 0.00 0.09 0.00 0.00 57.88 57.21 1h2i h LEU 175 Cb 0.17 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1h2i h LEU 175 CO 0.00 1.61 0.06 0.78 0.09 0.00 0.00 178.44 180.98 1h2i h ASN 176 N 0.09 0.46 0.00 -0.43 2.35 -0.57 -2.84 115.58 114.64 1h2i h ASN 176 Ca -0.29 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 1h2i h ASN 176 Cb 2.06 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 40.31 1h2i h ASN 176 CO 0.17 0.48 0.00 0.29 -1.65 0.00 0.00 177.43 176.72 1h2i n LYS 177 N -4.34 0.68 -3.57 0.81 5.02 -1.16 -4.30 118.16 111.31 1h2i n LYS 177 Ca 0.02 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.04 1h2i n LYS 177 Cb 0.19 -1.16 -0.16 0.00 -0.02 0.00 0.00 35.03 33.88 1h2i n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1h2i s LEU 178 N 0.00 0.40 1.18 -0.35 1.43 -1.07 -5.08 118.68 115.19 1h2i s LEU 178 Ca 0.00 -0.89 -0.17 0.00 -1.03 0.00 0.00 54.13 52.04 1h2i s LEU 178 Cb 0.00 -0.26 0.22 0.00 0.03 0.00 0.00 46.19 46.18 1h2i s LEU 178 CO 0.00 -0.39 0.50 -2.65 0.23 0.00 0.00 176.35 174.04 1h2i n PRO 179 N 5.27 -2.35 -0.57 1.29 -0.02 -1.26 -4.88 135.00 132.47 1h2i n PRO 179 Ca -0.06 -0.67 -0.19 0.00 -2.02 0.00 0.00 63.50 60.55 1h2i n PRO 179 Cb 0.46 -1.89 -0.01 0.00 -0.02 0.00 0.00 33.50 32.04 1h2i n PRO 179 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1h2i n ARG 180 N -3.59 0.00 -3.78 -0.52 1.74 -1.26 -4.98 116.66 104.27 1h2i n ARG 180 Ca 0.02 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.86 1h2i n ARG 180 Cb 0.57 -0.42 -0.17 0.00 -1.02 0.00 0.00 32.46 31.42 1h2i n ARG 180 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1h2i s GLN 181 N -0.42 0.72 0.17 5.56 1.03 -1.26 -5.13 119.66 120.33 1h2i s GLN 181 Ca 0.26 -0.08 -0.27 0.00 0.04 0.00 0.00 55.36 55.32 1h2i s GLN 181 Cb -0.33 -1.35 -0.08 0.00 0.03 0.00 0.00 33.01 31.28 1h2i s GLN 181 CO 0.25 -0.39 0.82 -0.48 -2.54 0.00 0.00 175.29 172.95 1h2i s LEU 182 N 1.91 4.59 0.19 2.60 2.34 -1.26 -5.00 118.68 124.05 1h2i s LEU 182 Ca 0.03 1.70 -0.33 0.00 0.06 0.00 0.00 54.13 55.59 1h2i s LEU 182 Cb -0.14 -3.37 -0.13 0.00 -0.56 0.00 0.00 46.19 41.99 1h2i s LEU 182 CO -0.06 0.16 1.61 -0.81 -1.06 0.00 0.00 176.35 176.19 1h2i n PRO 183 N 1.77 2.35 -2.57 1.48 -0.04 -1.26 -4.95 135.00 131.79 1h2i n PRO 183 Ca -0.04 0.85 -0.31 0.00 -0.04 0.00 0.00 63.50 63.95 1h2i n PRO 183 Cb 0.48 -2.63 -0.03 0.00 -0.04 0.00 0.00 33.50 31.28 1h2i n PRO 183 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1h2i s LEU 184 N 0.86 3.70 0.18 1.53 0.20 -1.26 -5.04 118.68 118.85 1h2i s LEU 184 Ca 0.76 1.41 -0.30 0.00 0.69 0.00 0.00 54.13 56.70 1h2i s LEU 184 Cb -0.62 -4.33 -0.07 0.00 -0.43 0.00 0.00 46.19 40.74 1h2i s LEU 184 CO 0.38 -0.52 1.06 -1.61 -0.29 0.00 0.00 176.35 175.37 1h2i s GLU 185 N -3.98 4.64 -0.12 1.98 0.41 -1.26 -5.02 118.70 115.35 1h2i s GLU 185 Ca 0.56 1.65 -0.20 0.00 -0.41 0.00 0.00 54.97 56.57 1h2i s GLU 185 Cb -0.10 -3.29 -0.04 0.00 -1.78 0.00 0.00 34.13 28.92 1h2i s GLU 185 CO 0.31 0.15 0.57 0.08 -0.49 0.00 0.00 175.26 175.88 1h2i s VAL 186 N -0.33 5.12 -0.48 2.63 1.01 -1.26 -5.02 120.40 122.07 1h2i s VAL 186 Ca 0.48 1.14 -0.21 0.00 0.00 0.00 0.00 61.98 63.39 1h2i s VAL 186 Cb -0.28 -3.90 0.04 0.00 0.00 0.00 0.00 36.38 32.23 1h2i s VAL 186 CO 0.34 0.26 0.70 -0.62 0.00 0.00 0.00 175.10 175.78 1h2i s ASP 187 N 0.79 6.30 -0.16 3.32 3.68 -1.26 -4.88 116.67 124.46 1h2i s ASP 187 Ca 0.30 -0.50 0.08 0.00 2.13 0.00 0.00 52.55 54.56 1h2i s ASP 187 Cb -0.16 -2.33 0.49 0.00 -1.45 0.00 0.00 42.92 39.47 1h2i s ASP 187 CO 0.13 -0.89 1.29 0.18 0.13 0.00 0.00 175.17 176.00 1h2i n LEU 188 N 6.46 4.03 0.14 -1.34 4.77 -1.26 -4.46 117.00 125.34 1h2i n LEU 188 Ca -0.02 -2.06 -0.08 0.00 -0.03 0.00 0.00 56.01 53.83 1h2i n LEU 188 Cb 0.47 -0.62 -0.04 0.00 -2.33 0.00 0.00 43.42 40.90 1h2i n LEU 188 CO 0.56 0.51 0.51 0.74 -1.33 0.00 0.00 177.39 178.38 1h2i h THR 189 N 2.26 0.00 -0.37 -5.08 2.02 -2.04 -2.90 112.91 106.80 1h2i h THR 189 Ca 0.04 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 67.00 1h2i h THR 189 Cb 1.48 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.78 1h2i h THR 189 CO 0.34 0.00 0.28 0.29 0.37 0.00 0.00 175.52 176.80 1h2i n LYS 190 N -3.55 1.54 -2.26 6.66 5.02 -1.26 -4.96 118.16 119.34 1h2i n LYS 190 Ca -0.05 -1.15 -0.38 0.00 -2.02 0.00 0.00 58.31 54.71 1h2i n LYS 190 Cb 0.19 -1.45 -0.01 0.00 -0.02 0.00 0.00 35.03 33.74 1h2i n LYS 190 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1h2i s ALA 191 N -1.30 3.07 0.16 7.82 0.00 -1.10 -4.97 121.76 125.43 1h2i s ALA 191 Ca 0.22 0.96 -0.31 0.00 0.00 0.00 0.00 51.96 52.84 1h2i s ALA 191 Cb 0.18 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.83 1h2i s ALA 191 CO 0.02 -0.61 1.35 0.21 0.00 0.00 0.00 175.76 176.73 1h2i s LYS 192 N -2.50 4.35 0.00 0.00 2.20 -1.26 -4.88 119.74 117.64 1h2i s LYS 192 Ca 0.60 2.08 0.00 0.00 -0.36 0.00 0.00 55.97 58.29 1h2i s LYS 192 Cb -0.30 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 1h2i s LYS 192 CO 0.37 -0.35 0.29 0.54 -0.36 0.00 0.00 175.35 175.83 1h2i n ARG 193 N 3.26 -0.36 -4.13 4.03 1.74 -1.26 -5.07 116.66 114.86 1h2i n ARG 193 Ca 0.09 -0.30 -0.09 0.00 -0.77 0.00 0.00 57.85 56.78 1h2i n ARG 193 Cb 0.42 -0.75 -0.10 0.00 -1.02 0.00 0.00 32.46 31.01 1h2i n ARG 193 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1h2i s GLN 194 N -0.03 0.75 -0.12 5.56 -0.21 -1.26 -5.08 119.66 119.26 1h2i s GLN 194 Ca 0.00 -1.30 -0.20 0.00 0.02 0.00 0.00 55.36 53.88 1h2i s GLN 194 Cb 0.00 0.04 -0.18 0.00 1.00 0.00 0.00 33.01 33.88 1h2i s GLN 194 CO 0.00 -0.09 0.53 -0.44 -2.12 0.00 0.00 175.29 173.17 1h2i h ASP 195 N 3.03 -0.00 -1.42 5.90 3.45 -2.04 -3.46 116.42 121.87 1h2i h ASP 195 Ca -0.35 -0.67 -0.74 0.00 0.43 0.00 0.00 57.03 55.71 1h2i h ASP 195 Cb 1.16 0.00 0.04 0.00 -0.56 0.00 0.00 39.33 39.97 1h2i h ASP 195 CO 0.65 0.83 0.44 -0.11 -1.57 0.00 0.00 179.24 179.48 1h2i n LEU 196 N -4.67 1.30 -3.41 1.55 0.00 -1.26 -4.92 117.00 105.59 1h2i n LEU 196 Ca -0.07 1.13 -0.26 0.00 0.00 0.00 0.00 56.01 56.81 1h2i n LEU 196 Cb 0.32 -1.08 -0.08 0.00 0.00 0.00 0.00 43.42 42.58 1h2i n LEU 196 CO 0.23 -1.15 -0.04 -0.62 0.00 0.00 0.00 177.39 175.81 1h2i n GLU 197 N 2.85 1.93 -0.33 1.96 -0.58 -1.26 -4.98 120.64 120.24 1h2i n GLU 197 Ca 0.21 -4.24 0.23 0.00 -0.42 0.00 0.00 57.16 52.94 1h2i n GLU 197 Cb 0.13 -1.98 0.44 0.00 -0.57 0.00 0.00 31.44 29.46 1h2i n GLU 197 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1h2i h PRO 198 N 4.29 0.00 -0.07 3.49 0.11 -1.97 0.19 132.00 138.05 1h2i h PRO 198 Ca 0.17 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.28 1h2i h PRO 198 Cb 0.73 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.83 1h2i h PRO 198 CO 0.72 0.00 -0.09 0.66 -0.21 0.00 0.00 178.00 179.08 1h2i h SER 199 N 0.00 -0.30 -0.22 -2.05 4.64 -2.02 -2.43 113.55 111.17 1h2i h SER 199 Ca 0.73 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 62.09 1h2i h SER 199 Cb 1.75 0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.95 1h2i h SER 199 CO -0.86 -0.06 0.14 0.58 -0.87 0.00 0.00 176.83 175.76 1h2i h VAL 200 N -0.06 1.04 -0.97 0.95 2.07 -1.48 -3.17 116.25 114.63 1h2i h VAL 200 Ca 0.01 -0.10 0.22 0.00 0.82 0.00 0.00 66.70 67.65 1h2i h VAL 200 Cb 0.09 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 30.52 1h2i h VAL 200 CO -0.10 0.05 0.62 -0.08 0.02 0.00 0.00 177.57 178.09 1h2i h GLU 201 N 0.28 0.46 0.59 1.57 4.57 -0.88 0.73 114.58 121.90 1h2i h GLU 201 Ca 0.08 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 1h2i h GLU 201 Cb -0.02 -0.10 0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1h2i h GLU 201 CO -0.03 0.30 -0.28 0.93 -1.18 0.00 0.00 179.01 178.76 1h2i h GLU 202 N 0.47 -0.76 -0.94 1.92 5.08 -1.42 -2.53 114.58 116.41 1h2i h GLU 202 Ca 0.53 0.05 0.28 0.00 -1.00 0.00 0.00 59.36 59.22 1h2i h GLU 202 Cb 1.22 0.17 -0.16 0.00 0.50 0.00 0.00 28.75 30.48 1h2i h GLU 202 CO -0.25 -0.51 0.22 0.00 -1.00 0.00 0.00 179.01 177.48 1h2i h ALA 203 N -1.31 1.40 -0.69 3.43 0.00 -1.37 1.40 119.26 122.12 1h2i h ALA 203 Ca -0.08 0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1h2i h ALA 203 Cb 0.60 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1h2i h ALA 203 CO 0.13 -0.58 0.30 -0.09 0.00 0.00 0.00 179.25 179.01 1h2i h ARG 204 N 0.11 1.00 -0.25 0.00 2.43 -0.88 -2.44 114.38 114.36 1h2i h ARG 204 Ca 0.62 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.58 1h2i h ARG 204 Cb 1.35 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 1h2i h ARG 204 CO -0.76 0.80 -0.04 -0.92 -1.51 0.00 0.00 179.97 177.54 1h2i h TYR 205 N 0.99 0.52 0.00 2.20 3.20 0.22 -2.83 116.97 121.27 1h2i h TYR 205 Ca 0.24 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1h2i h TYR 205 Cb 0.16 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.30 1h2i h TYR 205 CO 0.01 0.67 0.00 0.09 -1.64 0.00 0.00 178.16 177.30 1h2i n ASN 206 N -4.58 0.00 -0.02 -2.11 3.02 0.51 -2.03 115.26 110.06 1h2i n ASN 206 Ca -0.04 -1.28 0.01 0.00 -0.03 0.00 0.00 54.58 53.24 1h2i n ASN 206 Cb 0.28 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.32 1h2i n ASN 206 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1h2i n SER 207 N -0.60 0.35 -0.13 6.41 3.41 -0.99 -3.96 113.62 118.12 1h2i n SER 207 Ca 0.03 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1h2i n SER 207 Cb 0.02 0.95 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 1h2i n SER 207 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88