#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 -2.77 2.48 0.00 0.00 7.35 -1.26 -1.60 117.46 121.67 1h2i n PHE 26 Ca 0.08 0.46 0.00 0.00 -0.76 0.00 0.00 57.45 57.23 1h2i n PHE 26 Cb 0.28 -2.48 0.00 0.00 0.35 0.00 0.00 39.48 37.63 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 1.24 1.80 0.00 7.13 0.00 -0.27 -4.83 105.19 110.25 1h2i n GLY 27 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 2.39 -2.12 1.61 6.02 -0.63 -4.03 117.38 118.62 1h2i n GLN 28 Ca 0.00 -1.32 -0.29 0.00 -0.01 0.00 0.00 57.00 55.37 1h2i n GLN 28 Cb 0.00 -0.96 0.02 0.00 1.02 0.00 0.00 30.24 30.32 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 -5.08 1.35 0.27 0.00 0.74 -1.26 -4.18 119.66 111.49 1h2i s GLN 30 Ca 0.53 -0.44 -0.29 0.00 0.05 0.00 0.00 55.36 55.21 1h2i s GLN 30 Cb -0.11 -1.20 -0.09 0.00 1.10 0.00 0.00 33.01 32.70 1h2i s GLN 30 CO 0.50 0.17 1.25 0.71 -0.55 0.00 0.00 175.29 177.38 1h2i s TYR 31 N 0.14 3.26 0.58 1.67 1.51 -1.26 -5.00 117.35 118.25 1h2i s TYR 31 Ca -0.04 1.42 -0.16 0.00 -1.01 0.00 0.00 57.07 57.28 1h2i s TYR 31 Cb -0.10 -3.55 -0.04 0.00 -0.11 0.00 0.00 41.96 38.15 1h2i s TYR 31 CO 0.01 -1.53 1.04 0.95 -1.11 0.00 0.00 175.55 174.92 1h2i s THR 32 N -0.67 3.95 0.32 -0.71 -4.23 -1.26 -4.80 115.64 108.23 1h2i s THR 32 Ca 0.51 0.93 0.05 0.00 -1.18 0.00 0.00 61.69 61.99 1h2i s THR 32 Cb -0.36 -3.45 0.30 0.00 1.34 0.00 0.00 72.50 70.33 1h2i s THR 32 CO 0.44 -0.54 1.85 0.00 -0.54 0.00 0.00 174.62 175.83 1h2i h ALA 33 N 0.54 1.66 0.02 3.99 0.00 -1.99 0.07 119.26 123.55 1h2i h ALA 33 Ca -0.47 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1h2i h ALA 33 Cb 1.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1h2i h ALA 33 CO 0.58 0.09 -0.01 1.49 0.00 0.00 0.00 179.25 181.41 1h2i h GLU 34 N 0.86 -0.03 -0.51 0.00 4.81 -1.99 -1.16 114.58 116.57 1h2i h GLU 34 Ca 0.48 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.63 1h2i h GLU 34 Cb 0.59 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1h2i h GLU 34 CO -0.24 0.24 0.03 1.49 -0.73 0.00 0.00 179.01 179.79 1h2i h GLU 35 N -0.29 0.87 -0.07 1.92 4.81 -1.83 -1.96 114.58 118.03 1h2i h GLU 35 Ca -0.00 -0.27 0.04 0.00 -0.13 0.00 0.00 59.36 59.00 1h2i h GLU 35 Cb 0.28 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 1h2i h GLU 35 CO 0.00 0.89 -0.18 -0.92 -0.73 0.00 0.00 179.01 178.07 1h2i h TYR 36 N 0.74 -0.48 -0.49 0.92 3.20 -0.94 -1.15 116.97 118.77 1h2i h TYR 36 Ca 0.15 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1h2i h TYR 36 Cb 0.48 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 1h2i h TYR 36 CO 0.04 -0.26 0.30 0.37 -1.64 0.00 0.00 178.16 176.97 1h2i h GLN 37 N -0.26 0.65 -0.51 1.82 4.15 -1.12 0.61 115.11 120.45 1h2i h GLN 37 Ca 0.08 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1h2i h GLN 37 Cb 0.37 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 1h2i h GLN 37 CO -0.22 0.46 0.34 0.00 -1.93 0.00 0.00 178.83 177.48 1h2i h ALA 38 N 1.15 0.65 -0.34 3.38 0.00 -1.14 -2.44 119.26 120.53 1h2i h ALA 38 Ca 0.18 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1h2i h ALA 38 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1h2i h ALA 38 CO -0.03 0.10 -0.12 0.82 0.00 0.00 0.00 179.25 180.02 1h2i h ILE 39 N 0.70 1.28 -0.64 0.00 2.04 -0.87 -0.80 117.51 119.22 1h2i h ILE 39 Ca 0.19 -1.20 0.12 0.00 1.00 0.00 0.00 64.86 64.97 1h2i h ILE 39 Cb -0.08 1.36 -0.09 0.00 -0.74 0.00 0.00 36.82 37.27 1h2i h ILE 39 CO -0.04 0.39 0.17 1.56 0.00 0.00 0.00 178.15 180.23 1h2i h GLN 40 N 0.46 0.30 0.38 2.37 1.08 -0.74 -0.05 115.11 118.89 1h2i h GLN 40 Ca 0.08 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 1h2i h GLN 40 Cb 0.63 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1h2i h GLN 40 CO 0.04 0.20 -0.18 0.87 -0.95 0.00 0.00 178.83 178.80 1h2i h LYS 41 N 0.30 -0.49 -0.97 1.46 1.57 -1.31 -3.23 116.57 113.91 1h2i h LYS 41 Ca 0.34 0.03 0.19 0.00 -1.87 0.00 0.00 60.65 59.34 1h2i h LYS 41 Cb 0.51 0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.84 1h2i h LYS 41 CO -0.40 -0.18 0.61 0.00 -0.57 0.00 0.00 179.45 178.91 1h2i h ALA 42 N -0.41 1.88 0.00 3.86 0.00 -0.77 -0.92 119.26 122.90 1h2i h ALA 42 Ca -0.05 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1h2i h ALA 42 Cb 0.54 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1h2i h ALA 42 CO 0.09 -0.21 -0.11 -0.07 0.00 0.00 0.00 179.25 178.95 1h2i h LEU 43 N 0.64 0.00 -1.09 0.00 3.38 -1.03 -2.90 115.31 114.31 1h2i h LEU 43 Ca 0.53 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.41 1h2i h LEU 43 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1h2i h LEU 43 CO -0.29 0.11 -0.36 0.03 0.09 0.00 0.00 178.44 178.02 1h2i h ARG 44 N 0.00 0.18 -6.53 1.13 3.08 -1.20 0.93 114.38 111.96 1h2i h ARG 44 Ca -0.00 -0.07 -0.59 0.00 0.07 0.00 0.00 59.98 59.38 1h2i h ARG 44 Cb 0.32 -0.01 0.13 0.00 0.08 0.00 0.00 29.97 30.49 1h2i h ARG 44 CO 0.01 0.52 0.06 1.04 -1.07 0.00 0.00 179.97 180.53 1h2i n GLN 45 N -4.08 1.22 -3.31 0.04 6.02 -1.10 -4.58 117.38 111.60 1h2i n GLN 45 Ca -0.01 0.43 -0.25 0.00 -0.01 0.00 0.00 57.00 57.16 1h2i n GLN 45 Cb 0.43 -1.88 -0.02 0.00 1.02 0.00 0.00 30.24 29.79 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 -1.79 3.52 0.02 -1.09 1.81 -1.26 -1.53 118.95 118.64 1h2i s ARG 46 Ca 0.62 -0.21 -0.03 0.00 -1.72 0.00 0.00 55.73 54.39 1h2i s ARG 46 Cb -0.62 -2.64 -0.04 0.00 -0.45 0.00 0.00 34.95 31.20 1h2i s ARG 46 CO 0.58 0.14 0.22 -0.48 -0.68 0.00 0.00 175.30 175.08 1h2i s LEU 47 N -4.15 4.36 1.18 2.53 2.34 -1.26 -4.92 118.68 118.75 1h2i s LEU 47 Ca 0.41 0.39 -0.16 0.00 0.06 0.00 0.00 54.13 54.83 1h2i s LEU 47 Cb -0.10 -2.77 0.28 0.00 -0.56 0.00 0.00 46.19 43.04 1h2i s LEU 47 CO 0.35 0.22 1.04 -0.83 -1.06 0.00 0.00 176.35 176.07 1h2i s GLY 48 N -2.08 1.53 0.57 -3.48 0.00 -1.26 -4.90 107.32 97.70 1h2i s GLY 48 Ca 0.30 -0.48 0.26 0.00 0.00 0.00 0.00 44.72 44.80 1h2i s GLY 48 CO 0.21 0.30 2.22 -2.55 0.00 0.00 0.00 173.10 173.28 1h2i h PRO 49 N -2.59 0.00 0.00 2.90 0.11 -1.96 -2.45 132.00 128.02 1h2i h PRO 49 Ca -0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.57 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 0.01 0.00 -0.85 -0.21 0.00 0.00 178.00 177.41 1h2i n GLU 50 N -4.01 0.03 -0.11 1.05 0.00 -1.26 -2.53 120.64 113.81 1h2i n GLU 50 Ca -0.03 0.33 -0.14 0.00 0.00 0.00 0.00 57.16 57.32 1h2i n GLU 50 Cb 0.09 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 29.90 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 -1.42 0.00 -2.75 -1.84 4.02 -0.92 -4.99 117.16 109.25 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 0.06 -0.94 -0.05 0.00 -0.02 0.00 0.00 39.34 38.40 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 -2.47 4.45 0.33 -0.72 -1.09 -1.05 -4.44 121.20 116.21 1h2i s ILE 52 Ca -0.23 2.04 0.03 0.00 -2.23 0.00 0.00 60.65 60.26 1h2i s ILE 52 Cb 0.07 -4.31 -0.04 0.00 -1.58 0.00 0.00 42.46 36.60 1h2i s ILE 52 CO 0.65 0.35 0.11 -0.94 -1.23 0.00 0.00 174.94 173.88 1h2i s SER 53 N -0.22 2.10 0.14 3.58 1.04 -0.42 -4.98 113.70 114.94 1h2i s SER 53 Ca 0.45 -1.51 -0.12 0.00 0.48 0.00 0.00 55.95 55.26 1h2i s SER 53 Cb -0.24 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.14 1h2i s SER 53 CO 0.30 -0.79 0.31 -0.94 0.98 0.00 0.00 173.24 173.10 1h2i s SER 54 N -3.47 -0.04 0.18 7.02 1.04 -1.26 -1.60 113.70 115.57 1h2i s SER 54 Ca 0.33 -0.63 -0.04 0.00 0.48 0.00 0.00 55.95 56.09 1h2i s SER 54 Cb 0.06 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 1h2i s SER 54 CO 0.15 -0.86 0.18 0.00 0.98 0.00 0.00 173.24 173.69 1h2i s ARG 55 N -3.89 1.16 -0.28 4.02 1.70 -0.67 -4.96 118.95 116.04 1h2i s ARG 55 Ca 0.09 -1.46 -0.18 0.00 -0.47 0.00 0.00 55.73 53.72 1h2i s ARG 55 Cb 0.03 0.30 -0.02 0.00 -0.57 0.00 0.00 34.95 34.69 1h2i s ARG 55 CO -0.06 -0.39 0.51 -1.64 -1.08 0.00 0.00 175.30 172.63 1h2i s MET 56 N -4.08 3.99 0.76 3.89 -1.94 -1.26 -1.32 119.30 119.33 1h2i s MET 56 Ca 0.29 0.22 -0.11 0.00 -1.71 0.00 0.00 55.69 54.38 1h2i s MET 56 Cb 0.06 -3.68 0.04 0.00 2.01 0.00 0.00 34.83 33.26 1h2i s MET 56 CO 0.07 -0.40 1.08 0.00 -0.01 0.00 0.00 175.02 175.76 1h2i s ALA 57 N 2.32 2.43 0.35 3.03 0.00 0.34 -4.89 121.76 125.34 1h2i s ALA 57 Ca 0.20 -0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.12 1h2i s ALA 57 Cb -0.16 -3.13 0.70 0.00 0.00 0.00 0.00 23.12 20.53 1h2i s ALA 57 CO 0.10 -1.52 1.93 0.78 0.00 0.00 0.00 175.76 177.06 1h2i h GLY 58 N -0.93 1.08 -0.97 0.00 0.00 -1.97 -0.82 103.07 99.46 1h2i h GLY 58 Ca -0.46 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.54 1h2i h GLY 58 CO 0.58 0.22 0.00 0.61 0.00 0.00 0.00 176.54 177.96 1h2i n GLY 59 N -1.43 0.83 3.47 4.60 0.00 -1.26 -4.74 105.19 106.65 1h2i n GLY 59 Ca 0.12 0.00 -0.25 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 0.20 -0.53 3.09 -0.02 0.00 -0.31 -4.98 105.19 102.63 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 -6.17 1.22 0.36 1.61 -2.07 -1.22 -4.90 119.66 108.49 1h2i s GLN 61 Ca 0.51 -0.47 -0.28 0.00 -1.82 0.00 0.00 55.36 53.29 1h2i s GLN 61 Cb -0.23 -1.14 -0.11 0.00 -1.09 0.00 0.00 33.01 30.44 1h2i s GLN 61 CO 0.63 0.24 1.48 1.17 -1.32 0.00 0.00 175.29 177.49 1h2i n LYS 62 N 2.96 2.61 -3.91 9.60 4.81 -1.26 -0.51 118.16 132.47 1h2i n LYS 62 Ca -0.16 0.92 -0.25 0.00 -0.87 0.00 0.00 58.31 57.95 1h2i n LYS 62 Cb 0.54 -2.64 -0.17 0.00 0.02 0.00 0.00 35.03 32.78 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 -0.92 0.75 0.18 3.15 1.01 -0.43 -4.85 120.40 119.30 1h2i s VAL 63 Ca 0.55 -0.13 -0.08 0.00 0.00 0.00 0.00 61.98 62.32 1h2i s VAL 63 Cb -0.49 -0.82 -0.06 0.00 0.00 0.00 0.00 36.38 35.00 1h2i s VAL 63 CO 0.61 0.32 0.47 0.00 0.00 0.00 0.00 175.10 176.50 1h2i s TYR 65 N -1.72 -0.21 -0.09 0.00 -0.85 -0.63 -5.00 117.35 108.86 1h2i s TYR 65 Ca 0.44 -0.06 0.01 0.00 -0.52 0.00 0.00 57.07 56.94 1h2i s TYR 65 Cb -0.12 0.61 -0.02 0.00 0.38 0.00 0.00 41.96 42.81 1h2i s TYR 65 CO 0.22 -0.78 -0.10 0.42 -1.52 0.00 0.00 175.55 173.79 1h2i s ILE 66 N -3.30 3.40 0.26 -3.49 1.01 -1.26 -1.30 121.20 116.52 1h2i s ILE 66 Ca 0.10 -0.57 -0.29 0.00 0.00 0.00 0.00 60.65 59.88 1h2i s ILE 66 Cb -0.02 -2.40 -0.09 0.00 0.01 0.00 0.00 42.46 39.96 1h2i s ILE 66 CO -0.01 0.56 1.15 -1.61 0.00 0.00 0.00 174.94 175.04 1h2i s GLU 67 N -0.33 4.56 0.26 2.79 2.02 -1.26 -4.90 118.70 121.84 1h2i s GLU 67 Ca 0.04 1.88 -0.06 0.00 0.02 0.00 0.00 54.97 56.85 1h2i s GLU 67 Cb -0.13 -3.19 0.48 0.00 0.10 0.00 0.00 34.13 31.40 1h2i s GLU 67 CO 0.02 0.07 1.60 0.78 0.02 0.00 0.00 175.26 177.75 1h2i h GLY 68 N 4.17 0.84 1.99 -1.39 0.00 -1.99 0.75 103.07 107.45 1h2i h GLY 68 Ca -0.46 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1h2i h GLY 68 CO 0.69 -0.36 -0.03 1.12 0.00 0.00 0.00 176.54 177.96 1h2i h HIS 69 N 0.03 0.01 -0.25 5.60 2.07 -2.00 -0.45 115.15 120.17 1h2i h HIS 69 Ca 0.46 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.80 1h2i h HIS 69 Cb 0.80 -0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.78 1h2i h HIS 69 CO -0.56 0.04 -0.54 0.00 -3.07 0.00 0.00 177.93 173.81 1h2i h ARG 70 N 0.01 0.80 -0.74 5.12 2.47 -1.24 -2.36 114.38 118.45 1h2i h ARG 70 Ca 0.00 -0.53 -0.02 0.00 -1.26 0.00 0.00 59.98 58.17 1h2i h ARG 70 Cb 0.06 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.42 1h2i h ARG 70 CO 0.00 1.16 0.36 0.28 0.56 0.00 0.00 179.97 182.34 1h2i h VAL 71 N 0.55 1.24 -0.61 2.04 2.07 -0.87 0.76 116.25 121.43 1h2i h VAL 71 Ca 0.00 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1h2i h VAL 71 Cb 1.15 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1h2i h VAL 71 CO 0.12 0.27 0.35 0.40 0.02 0.00 0.00 177.57 178.73 1h2i h ILE 72 N 1.03 1.19 -0.08 4.57 2.04 -1.02 -0.55 117.51 124.69 1h2i h ILE 72 Ca 0.25 -0.44 -0.13 0.00 1.00 0.00 0.00 64.86 65.55 1h2i h ILE 72 Cb 0.10 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1h2i h ILE 72 CO -0.03 0.20 -0.53 0.78 0.00 0.00 0.00 178.15 178.56 1h2i h ASN 73 N 0.82 0.23 -0.03 1.72 2.35 -0.99 -0.33 115.58 119.35 1h2i h ASN 73 Ca 0.22 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1h2i h ASN 73 Cb 0.01 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 1h2i h ASN 73 CO -0.04 0.72 0.02 -0.07 -1.65 0.00 0.00 177.43 176.41 1h2i h LEU 74 N 0.17 0.04 -0.32 1.61 3.38 -0.38 -1.31 115.31 118.50 1h2i h LEU 74 Ca 0.00 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1h2i h LEU 74 Cb 0.99 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1h2i h LEU 74 CO 0.08 0.09 0.15 0.00 0.09 0.00 0.00 178.44 178.85 1h2i h ALA 75 N 0.95 0.39 -0.49 1.53 0.00 -0.84 0.16 119.26 120.95 1h2i h ALA 75 Ca 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1h2i h ALA 75 Cb 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1h2i h ALA 75 CO -0.00 -0.23 0.19 -0.91 0.00 0.00 0.00 179.25 178.29 1h2i h ASN 76 N 0.31 0.65 0.46 0.00 2.35 -0.92 -0.19 115.58 118.24 1h2i h ASN 76 Ca 0.14 -0.08 -0.27 0.00 -0.55 0.00 0.00 56.30 55.54 1h2i h ASN 76 Cb 0.06 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.28 1h2i h ASN 76 CO -0.10 0.59 -1.19 -0.33 -1.65 0.00 0.00 177.43 174.75 1h2i h GLU 77 N 0.70 0.37 -0.28 0.81 4.39 -0.81 0.18 114.58 119.95 1h2i h GLU 77 Ca 0.17 -0.55 -0.10 0.00 0.34 0.00 0.00 59.36 59.22 1h2i h GLU 77 Cb 0.16 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1h2i h GLU 77 CO -0.01 1.23 -0.22 1.98 -1.16 0.00 0.00 179.01 180.83 1h2i h MET 78 N 0.14 0.64 0.00 2.33 4.05 -0.39 -3.37 114.93 118.34 1h2i h MET 78 Ca -0.14 -0.32 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 1h2i h MET 78 Cb 1.89 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.69 1h2i h MET 78 CO 0.21 0.91 -0.58 1.19 0.23 0.00 0.00 176.91 178.87 1h2i n PHE 79 N -4.34 0.00 0.00 1.39 3.72 -0.11 -4.98 117.46 113.14 1h2i n PHE 79 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1h2i n PHE 79 Cb 0.43 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 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 1.35 1.48 0.34 1.37 0.00 0.61 -3.41 105.19 106.93 1h2i n GLY 80 Ca 0.01 -1.64 0.18 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.25 1.61 -0.00 -1.89 0.10 116.97 116.55 1h2i h TYR 81 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1h2i h TYR 81 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1h2i h TYR 81 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 178.16 178.43 1h2i n ASN 82 N -3.32 3.63 -0.16 0.10 2.04 -1.26 -4.58 115.26 111.70 1h2i n ASN 82 Ca -0.01 -2.88 0.08 0.00 -0.44 0.00 0.00 54.58 51.32 1h2i n ASN 82 Cb 0.26 -0.49 -0.05 0.00 -2.53 0.00 0.00 39.78 36.97 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 -0.45 -0.28 3.14 4.83 0.00 0.02 -4.71 105.19 107.74 1h2i n GLY 83 Ca 0.19 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.22 0.52 0.21 1.61 1.48 -1.25 -0.96 118.94 118.32 1h2i s TRP 84 Ca 0.09 -1.00 -0.18 0.00 -1.06 0.00 0.00 56.10 53.95 1h2i s TRP 84 Cb 0.12 -0.33 0.03 0.00 -1.16 0.00 0.00 33.47 32.13 1h2i s TRP 84 CO 0.54 -0.46 0.56 0.00 -4.06 0.00 0.00 176.95 173.53 1h2i s ALA 85 N -3.94 -1.02 0.00 2.67 0.00 0.13 -4.94 121.76 114.66 1h2i s ALA 85 Ca 0.11 -0.19 -0.16 0.00 0.00 0.00 0.00 51.96 51.72 1h2i s ALA 85 Cb 0.07 0.87 0.03 0.00 0.00 0.00 0.00 23.12 24.08 1h2i s ALA 85 CO -0.07 -0.84 0.35 -3.38 0.00 0.00 0.00 175.76 171.82 1h2i s HIS 86 N -3.87 -0.22 0.05 0.00 -3.43 -1.26 0.39 115.29 106.96 1h2i s HIS 86 Ca 0.09 0.26 -0.00 0.00 -0.80 0.00 0.00 55.06 54.61 1h2i s HIS 86 Cb -0.02 0.14 -0.04 0.00 -1.43 0.00 0.00 32.58 31.24 1h2i s HIS 86 CO -0.02 -0.46 -0.04 -1.54 -2.00 0.00 0.00 174.74 170.68 1h2i s SER 87 N -1.59 0.56 -0.50 7.38 1.04 -0.27 -4.98 113.70 115.35 1h2i s SER 87 Ca -0.10 -0.94 -0.17 0.00 0.48 0.00 0.00 55.95 55.22 1h2i s SER 87 Cb -0.03 0.17 0.08 0.00 0.10 0.00 0.00 66.02 66.34 1h2i s SER 87 CO 0.02 -0.54 0.49 -0.63 0.98 0.00 0.00 173.24 173.56 1h2i s ILE 88 N -3.59 5.11 0.36 -1.02 1.01 -1.26 -1.35 121.20 120.45 1h2i s ILE 88 Ca 0.05 -1.00 0.13 0.00 0.00 0.00 0.00 60.65 59.83 1h2i s ILE 88 Cb 0.06 -4.24 0.08 0.00 0.01 0.00 0.00 42.46 38.37 1h2i s ILE 88 CO -0.08 -0.73 1.81 0.71 0.00 0.00 0.00 174.94 176.64 1h2i h THR 89 N 5.82 1.27 -1.36 2.92 1.35 -1.14 -3.46 112.91 118.30 1h2i h THR 89 Ca -0.29 -1.36 0.14 0.00 -0.55 0.00 0.00 66.41 64.35 1h2i h THR 89 Cb 1.10 1.74 -0.26 0.00 -1.73 0.00 0.00 68.15 68.99 1h2i h THR 89 CO 0.95 0.39 0.69 -1.58 -0.25 0.00 0.00 175.52 175.71 1h2i s GLN 90 N -4.12 0.36 -0.08 4.72 0.74 -1.19 -4.99 119.66 115.10 1h2i s GLN 90 Ca -0.03 0.19 0.00 0.00 0.05 0.00 0.00 55.36 55.58 1h2i s GLN 90 Cb 0.14 0.17 0.02 0.00 1.10 0.00 0.00 33.01 34.44 1h2i s GLN 90 CO 0.73 -0.09 -0.07 -1.14 -0.55 0.00 0.00 175.29 174.17 1h2i s GLN 91 N -0.64 1.25 -0.08 1.67 0.74 -1.26 -0.21 119.66 121.13 1h2i s GLN 91 Ca 0.03 -0.19 0.03 0.00 0.05 0.00 0.00 55.36 55.28 1h2i s GLN 91 Cb -0.02 -1.27 0.01 0.00 1.10 0.00 0.00 33.01 32.83 1h2i s GLN 91 CO -0.05 -0.16 -0.17 1.21 -0.55 0.00 0.00 175.29 175.56 1h2i s ASN 92 N 1.34 2.38 -0.42 6.67 3.84 -0.04 -4.99 114.94 123.72 1h2i s ASN 92 Ca -0.03 -0.42 -0.25 0.00 0.21 0.00 0.00 52.86 52.37 1h2i s ASN 92 Cb -0.14 -1.09 0.02 0.00 -0.55 0.00 0.00 41.25 39.49 1h2i s ASN 92 CO -0.03 0.08 0.91 -0.69 -2.79 0.00 0.00 177.10 174.59 1h2i s VAL 93 N 0.56 4.53 0.16 -5.21 1.01 -1.26 -1.40 120.40 118.79 1h2i s VAL 93 Ca -0.16 0.90 -0.09 0.00 0.00 0.00 0.00 61.98 62.63 1h2i s VAL 93 Cb -0.17 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 31.81 1h2i s VAL 93 CO 0.05 -0.70 1.51 0.44 0.00 0.00 0.00 175.10 176.40 1h2i h ASP 94 N 8.83 0.97 -4.22 3.32 3.45 -1.08 -3.48 116.42 124.22 1h2i h ASP 94 Ca -0.24 -0.42 0.16 0.00 0.43 0.00 0.00 57.03 56.96 1h2i h ASP 94 Cb 1.08 -0.27 -0.20 0.00 -0.56 0.00 0.00 39.33 39.38 1h2i h ASP 94 CO 1.00 1.21 0.65 0.72 -1.57 0.00 0.00 179.24 181.25 1h2i s PHE 95 N -4.47 -0.25 -0.31 4.55 -0.12 -1.18 -4.98 117.98 111.21 1h2i s PHE 95 Ca -0.11 0.28 -0.02 0.00 -0.05 0.00 0.00 56.93 57.03 1h2i s PHE 95 Cb 0.12 0.50 0.11 0.00 -0.63 0.00 0.00 43.02 43.12 1h2i s PHE 95 CO 0.87 -0.33 0.15 0.08 -0.05 0.00 0.00 175.22 175.94 1h2i s VAL 96 N -2.11 0.19 -0.10 -2.49 1.01 -1.26 -2.47 120.40 113.17 1h2i s VAL 96 Ca 0.05 -1.17 -0.03 0.00 0.00 0.00 0.00 61.98 60.83 1h2i s VAL 96 Cb -0.01 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1h2i s VAL 96 CO -0.04 -0.79 0.04 -1.81 0.00 0.00 0.00 175.10 172.50 1h2i s ASP 97 N 1.70 5.57 -0.34 3.32 1.01 0.59 -4.94 116.67 123.58 1h2i s ASP 97 Ca 0.12 0.24 -0.01 0.00 0.71 0.00 0.00 52.55 53.60 1h2i s ASP 97 Cb -0.18 -1.66 0.08 0.00 1.01 0.00 0.00 42.92 42.17 1h2i s ASP 97 CO -0.24 0.38 0.07 -0.22 0.21 0.00 0.00 175.17 175.37 1h2i s LEU 98 N -0.90 4.50 0.00 1.23 2.96 -1.26 0.63 118.68 125.85 1h2i s LEU 98 Ca 0.13 -1.71 0.15 0.00 -0.22 0.00 0.00 54.13 52.48 1h2i s LEU 98 Cb -0.12 -1.73 0.20 0.00 0.50 0.00 0.00 46.19 45.05 1h2i s LEU 98 CO 0.03 -0.38 1.08 0.59 -1.32 0.00 0.00 176.35 176.34 1h2i n ASN 99 N 4.53 2.52 0.00 3.68 5.03 -0.92 -4.96 115.26 125.15 1h2i n ASN 99 Ca -0.06 -1.73 0.00 0.00 0.87 0.00 0.00 54.58 53.66 1h2i n ASN 99 Cb 0.42 -0.09 0.00 0.00 -1.02 0.00 0.00 39.78 39.09 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 0.83 0.00 0.00 6.41 3.02 -1.26 -4.92 115.26 119.35 1h2i n ASN 100 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1h2i n ASN 100 Cb 0.40 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 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 2.69 3.55 7.41 0.00 -1.26 -5.03 105.19 112.55 1h2i n GLY 101 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.95 1.97 -0.07 1.61 1.02 -1.26 -4.49 119.74 117.58 1h2i s LYS 102 Ca 0.00 -1.26 -0.03 0.00 0.02 0.00 0.00 55.97 54.70 1h2i s LYS 102 Cb 0.00 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.14 1h2i s LYS 102 CO 0.00 0.44 0.06 -0.06 -0.92 0.00 0.00 175.35 174.88 1h2i s PHE 103 N -1.59 3.32 -0.21 3.18 0.40 0.34 -2.15 117.98 121.26 1h2i s PHE 103 Ca 0.23 0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.87 1h2i s PHE 103 Cb -0.09 -1.82 0.04 0.00 0.51 0.00 0.00 43.02 41.66 1h2i s PHE 103 CO 0.14 0.57 -0.14 0.71 0.70 0.00 0.00 175.22 177.20 1h2i s TYR 104 N -1.01 2.83 -0.07 0.36 1.51 0.21 -1.53 117.35 119.64 1h2i s TYR 104 Ca 0.16 -1.86 0.03 0.00 -1.01 0.00 0.00 57.07 54.40 1h2i s TYR 104 Cb -0.12 -1.83 0.01 0.00 -0.11 0.00 0.00 41.96 39.91 1h2i s TYR 104 CO 0.06 -0.81 -0.15 0.08 -1.11 0.00 0.00 175.55 173.62 1h2i s VAL 105 N 1.26 1.35 -0.13 0.71 1.01 -0.05 -0.30 120.40 124.24 1h2i s VAL 105 Ca -0.02 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1h2i s VAL 105 Cb -0.16 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.03 1h2i s VAL 105 CO -0.09 0.40 -0.18 -0.83 0.00 0.00 0.00 175.10 174.40 1h2i s GLY 106 N 0.47 1.20 -0.01 4.51 0.00 -1.03 -1.97 107.32 110.49 1h2i s GLY 106 Ca -0.13 -0.94 0.03 0.00 0.00 0.00 0.00 44.72 43.68 1h2i s GLY 106 CO 0.04 0.21 -0.10 0.14 0.00 0.00 0.00 173.10 173.39 1h2i s VAL 107 N 1.06 0.81 0.16 1.40 1.01 -0.04 -0.38 120.40 124.42 1h2i s VAL 107 Ca -0.03 -0.43 0.11 0.00 0.00 0.00 0.00 61.98 61.62 1h2i s VAL 107 Cb -0.14 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1h2i s VAL 107 CO -0.05 0.23 -0.24 0.00 0.00 0.00 0.00 175.10 175.04 1h2i s ALA 109 N -1.36 0.15 -0.27 0.00 0.00 -0.49 -0.86 121.76 118.93 1h2i s ALA 109 Ca 0.18 -0.09 -0.06 0.00 0.00 0.00 0.00 51.96 51.99 1h2i s ALA 109 Cb -0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 1h2i s ALA 109 CO 0.08 0.03 0.06 -0.06 0.00 0.00 0.00 175.76 175.88 1h2i s PHE 110 N -0.07 3.10 -0.13 0.00 0.40 0.71 -0.14 117.98 121.85 1h2i s PHE 110 Ca 0.00 -0.83 -0.00 0.00 -0.60 0.00 0.00 56.93 55.50 1h2i s PHE 110 Cb -0.01 -2.23 -0.01 0.00 0.51 0.00 0.00 43.02 41.28 1h2i s PHE 110 CO -0.00 -0.52 -0.12 0.08 0.70 0.00 0.00 175.22 175.36 1h2i s VAL 111 N 1.53 3.09 -0.21 -0.44 1.01 -0.53 -0.47 120.40 124.37 1h2i s VAL 111 Ca 0.04 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 1h2i s VAL 111 Cb -0.16 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 1h2i s VAL 111 CO 0.02 0.52 -0.02 -0.60 0.00 0.00 0.00 175.10 175.02 1h2i s ARG 112 N 0.40 3.47 0.03 2.72 3.52 -0.46 -1.66 118.95 126.97 1h2i s ARG 112 Ca -0.10 -0.58 0.04 0.00 -0.13 0.00 0.00 55.73 54.96 1h2i s ARG 112 Cb -0.16 -3.05 -0.04 0.00 -1.56 0.00 0.00 34.95 30.15 1h2i s ARG 112 CO 0.05 -0.12 -0.05 0.54 -0.81 0.00 0.00 175.30 174.91 1h2i s VAL 113 N 1.32 3.76 0.02 7.11 0.11 0.07 -1.11 120.40 131.68 1h2i s VAL 113 Ca 0.04 -0.85 -0.00 0.00 -2.93 0.00 0.00 61.98 58.24 1h2i s VAL 113 Cb -0.14 -2.69 -0.02 0.00 -1.53 0.00 0.00 36.38 32.00 1h2i s VAL 113 CO -0.01 0.31 -0.02 -1.58 -3.33 0.00 0.00 175.10 170.47 1h2i s GLN 114 N -1.70 0.26 0.34 1.54 0.74 0.16 -1.86 119.66 119.14 1h2i s GLN 114 Ca 0.20 -0.50 0.03 0.00 0.05 0.00 0.00 55.36 55.14 1h2i s GLN 114 Cb -0.11 0.09 -0.02 0.00 1.10 0.00 0.00 33.01 34.07 1h2i s GLN 114 CO 0.11 -0.04 0.51 -0.51 -0.55 0.00 0.00 175.29 174.80 1h2i s LEU 115 N -1.19 3.99 0.21 3.68 1.02 -0.35 0.21 118.68 126.26 1h2i s LEU 115 Ca -0.13 0.12 0.13 0.00 0.02 0.00 0.00 54.13 54.27 1h2i s LEU 115 Cb -0.08 -2.99 0.73 0.00 0.02 0.00 0.00 46.19 43.86 1h2i s LEU 115 CO -0.01 -0.38 1.38 2.29 0.02 0.00 0.00 176.35 179.66 1h2i n LYS 116 N -1.72 0.09 0.01 1.70 2.85 -0.13 -0.41 118.16 120.55 1h2i n LYS 116 Ca -0.03 0.57 -0.10 0.00 -1.05 0.00 0.00 58.31 57.71 1h2i n LYS 116 Cb 0.57 -1.84 0.05 0.00 -0.65 0.00 0.00 35.03 33.17 1h2i n LYS 116 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1h2i h ASP 117 N 0.00 0.60 0.00 -5.58 -0.00 -1.84 -0.46 116.42 109.14 1h2i h ASP 117 Ca 0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 57.03 56.70 1h2i h ASP 117 Cb 0.10 -0.17 0.00 0.00 -0.00 0.00 0.00 39.33 39.26 1h2i h ASP 117 CO 0.00 1.05 0.00 0.61 -0.00 0.00 0.00 179.24 180.90 1h2i n GLY 118 N 0.30 2.15 3.75 -0.78 0.00 0.45 -4.58 105.19 106.48 1h2i n GLY 118 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.67 4.94 0.21 1.61 1.04 -1.26 -4.76 113.70 113.82 1h2i s SER 119 Ca 0.00 2.23 -0.21 0.00 0.48 0.00 0.00 55.95 58.45 1h2i s SER 119 Cb 0.00 -2.58 0.04 0.00 0.10 0.00 0.00 66.02 63.58 1h2i s SER 119 CO 0.00 -1.75 0.63 -0.72 0.98 0.00 0.00 173.24 172.38 1h2i s TYR 120 N -1.96 -0.32 -0.10 5.02 -0.85 -1.26 -1.21 117.35 116.67 1h2i s TYR 120 Ca 0.73 -0.02 -0.13 0.00 -0.52 0.00 0.00 57.07 57.13 1h2i s TYR 120 Cb -0.26 0.59 0.03 0.00 0.38 0.00 0.00 41.96 42.70 1h2i s TYR 120 CO 0.38 -1.02 0.33 -1.01 -1.52 0.00 0.00 175.55 172.72 1h2i s HIS 121 N -3.84 -0.32 0.00 -3.49 3.76 -0.78 -5.01 115.29 105.62 1h2i s HIS 121 Ca 0.07 0.74 0.03 0.00 -0.15 0.00 0.00 55.06 55.75 1h2i s HIS 121 Cb -0.03 0.12 -0.01 0.00 1.11 0.00 0.00 32.58 33.77 1h2i s HIS 121 CO -0.03 -0.23 -0.10 -2.00 -0.85 0.00 0.00 174.74 171.53 1h2i s GLU 122 N -0.22 0.77 0.29 1.40 2.12 -1.26 -0.75 118.70 121.05 1h2i s GLU 122 Ca -0.04 -0.44 -0.05 0.00 0.36 0.00 0.00 54.97 54.80 1h2i s GLU 122 Cb -0.03 -0.73 -0.01 0.00 0.26 0.00 0.00 34.13 33.62 1h2i s GLU 122 CO 0.01 0.19 0.42 0.34 -0.54 0.00 0.00 175.26 175.68 1h2i s ASP 123 N -0.49 0.51 0.09 -1.70 -1.08 -0.67 -4.91 116.67 108.42 1h2i s ASP 123 Ca 0.02 -1.31 -0.02 0.00 -0.52 0.00 0.00 52.55 50.72 1h2i s ASP 123 Cb -0.05 0.59 -0.05 0.00 -1.46 0.00 0.00 42.92 41.96 1h2i s ASP 123 CO -0.00 -1.17 0.26 -0.69 0.52 0.00 0.00 175.17 174.09 1h2i s VAL 124 N -3.53 5.32 0.12 1.11 1.01 -1.26 -1.45 120.40 121.73 1h2i s VAL 124 Ca 0.30 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.10 1h2i s VAL 124 Cb 0.01 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1h2i s VAL 124 CO 0.16 0.11 -0.17 -0.83 0.00 0.00 0.00 175.10 174.37 1h2i s GLY 125 N -2.47 1.18 0.07 4.51 0.00 0.80 -4.42 107.32 106.98 1h2i s GLY 125 Ca 0.37 -1.30 0.06 0.00 0.00 0.00 0.00 44.72 43.85 1h2i s GLY 125 CO 0.27 -1.34 -0.17 -0.47 0.00 0.00 0.00 173.10 171.39 1h2i s TYR 126 N -1.77 1.42 -0.05 1.90 5.04 -1.26 -1.40 117.35 121.24 1h2i s TYR 126 Ca 0.09 -0.41 0.04 0.00 -2.44 0.00 0.00 57.07 54.35 1h2i s TYR 126 Cb -0.07 -0.81 0.00 0.00 0.35 0.00 0.00 41.96 41.43 1h2i s TYR 126 CO 0.04 0.09 -0.15 0.20 -1.34 0.00 0.00 175.55 174.39 1h2i s GLY 127 N -1.54 0.87 0.02 8.97 0.00 0.20 -3.81 107.32 112.04 1h2i s GLY 127 Ca 0.02 -0.61 0.04 0.00 0.00 0.00 0.00 44.72 44.18 1h2i s GLY 127 CO 0.02 -0.24 -0.13 0.14 0.00 0.00 0.00 173.10 172.90 1h2i s VAL 128 N 0.18 1.01 -0.18 1.40 1.01 -1.26 -0.86 120.40 121.69 1h2i s VAL 128 Ca -0.06 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 1h2i s VAL 128 Cb -0.12 -0.90 0.09 0.00 0.00 0.00 0.00 36.38 35.45 1h2i s VAL 128 CO 0.02 0.08 0.23 -0.55 0.00 0.00 0.00 175.10 174.89 1h2i s SER 129 N -0.83 1.10 -0.09 3.32 0.15 -0.83 -4.54 113.70 111.96 1h2i s SER 129 Ca 0.02 -0.02 0.02 0.00 0.70 0.00 0.00 55.95 56.67 1h2i s SER 129 Cb -0.07 0.46 0.01 0.00 -1.71 0.00 0.00 66.02 64.72 1h2i s SER 129 CO 0.01 -0.30 -0.13 -1.61 1.20 0.00 0.00 173.24 172.40 1h2i s GLU 130 N 2.35 1.97 0.00 5.44 2.02 -1.26 -0.87 118.70 128.35 1h2i s GLU 130 Ca 0.06 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 54.57 1h2i s GLU 130 Cb -0.15 -1.68 0.00 0.00 0.10 0.00 0.00 34.13 32.40 1h2i s GLU 130 CO -0.11 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.53 1h2i n GLY 131 N 4.13 2.97 3.71 -1.39 0.00 -0.58 -5.01 105.19 109.01 1h2i n GLY 131 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 2.72 -0.00 0.99 1.43 -1.26 -4.54 118.68 118.03 1h2i s LEU 132 Ca 0.00 1.88 0.20 0.00 -1.03 0.00 0.00 54.13 55.18 1h2i s LEU 132 Cb 0.00 -4.38 -0.23 0.00 0.03 0.00 0.00 46.19 41.62 1h2i s LEU 132 CO 0.00 -2.62 0.86 0.29 0.23 0.00 0.00 176.35 175.11 1h2i n LYS 133 N -3.90 0.23 -3.32 1.70 5.02 -1.26 -0.51 118.16 116.12 1h2i n LYS 133 Ca 0.09 -0.01 -0.39 0.00 -2.02 0.00 0.00 58.31 55.98 1h2i n LYS 133 Cb 0.53 -1.47 -0.08 0.00 -0.02 0.00 0.00 35.03 33.99 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 -3.01 6.40 0.02 4.39 0.15 -1.26 -4.83 113.70 115.56 1h2i s SER 134 Ca 0.07 0.47 -0.25 0.00 0.70 0.00 0.00 55.95 56.94 1h2i s SER 134 Cb 0.15 -2.25 -0.18 0.00 -1.71 0.00 0.00 66.02 62.04 1h2i s SER 134 CO 0.85 -0.19 1.43 0.50 1.20 0.00 0.00 173.24 177.02 1h2i h LYS 135 N 7.85 -0.10 -0.13 5.44 3.64 -1.98 -1.16 116.57 130.12 1h2i h LYS 135 Ca -0.32 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.11 1h2i h LYS 135 Cb 1.15 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 1h2i h LYS 135 CO 0.70 0.19 -0.23 0.00 -2.27 0.00 0.00 179.45 177.83 1h2i h ALA 136 N 0.50 -0.21 -0.28 5.00 0.00 -1.99 0.11 119.26 122.39 1h2i h ALA 136 Ca -0.01 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1h2i h ALA 136 Cb 0.33 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1h2i h ALA 136 CO 0.02 -0.69 0.04 -0.07 0.00 0.00 0.00 179.25 178.54 1h2i h LEU 137 N -0.30 0.38 0.06 0.00 -0.00 -1.97 0.38 115.31 113.86 1h2i h LEU 137 Ca 0.10 -0.05 -0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1h2i h LEU 137 Cb 0.45 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 1h2i h LEU 137 CO -0.30 0.41 -0.03 0.28 -0.00 0.00 0.00 178.44 178.80 1h2i h SER 138 N 0.41 -0.07 -0.27 -0.43 0.02 0.13 -1.80 113.55 111.53 1h2i h SER 138 Ca 0.10 -0.34 0.03 0.00 -0.84 0.00 0.00 61.79 60.74 1h2i h SER 138 Cb 0.21 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 1h2i h SER 138 CO 0.00 0.31 0.07 -0.07 -1.14 0.00 0.00 176.83 176.01 1h2i h LEU 139 N -0.46 0.06 -0.62 5.07 -0.00 -0.61 -1.61 115.31 117.14 1h2i h LEU 139 Ca -0.01 0.03 0.09 0.00 -0.00 0.00 0.00 57.88 58.00 1h2i h LEU 139 Cb 0.40 0.04 -0.07 0.00 -0.00 0.00 0.00 40.66 41.03 1h2i h LEU 139 CO 0.01 0.07 0.25 -0.08 -0.00 0.00 0.00 178.44 178.70 1h2i h GLU 140 N 0.19 0.44 -0.23 1.13 4.81 -0.88 0.68 114.58 120.71 1h2i h GLU 140 Ca 0.12 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1h2i h GLU 140 Cb 0.11 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1h2i h GLU 140 CO -0.14 0.29 0.03 -0.22 -0.73 0.00 0.00 179.01 178.24 1h2i h LYS 141 N 0.45 0.38 -0.54 1.92 3.64 -0.99 -2.25 116.57 119.18 1h2i h LYS 141 Ca 0.31 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 1h2i h LYS 141 Cb 0.36 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1h2i h LYS 141 CO -0.29 0.52 0.07 0.00 -2.27 0.00 0.00 179.45 177.48 1h2i h ALA 142 N 0.84 0.72 -0.15 5.00 0.00 -0.78 -1.69 119.26 123.20 1h2i h ALA 142 Ca 0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1h2i h ALA 142 Cb 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1h2i h ALA 142 CO 0.00 0.48 -0.01 0.00 0.00 0.00 0.00 179.25 179.72 1h2i h ARG 143 N 0.79 0.28 -0.80 0.00 3.08 -0.88 -1.79 114.38 115.06 1h2i h ARG 143 Ca 0.16 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1h2i h ARG 143 Cb 0.43 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 1h2i h ARG 143 CO 0.01 0.52 0.33 0.87 -1.07 0.00 0.00 179.97 180.64 1h2i h LYS 144 N 0.01 1.20 -0.08 0.04 1.57 -1.35 -2.86 116.57 115.10 1h2i h LYS 144 Ca 0.04 -0.21 -0.13 0.00 -1.87 0.00 0.00 60.65 58.48 1h2i h LYS 144 Cb 0.40 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1h2i h LYS 144 CO 0.01 0.96 -0.52 0.93 -0.57 0.00 0.00 179.45 180.27 1h2i h GLU 145 N 1.17 0.23 -0.65 3.15 5.08 -1.25 -2.40 114.58 119.91 1h2i h GLU 145 Ca 0.27 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1h2i h GLU 145 Cb 0.21 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1h2i h GLU 145 CO -0.02 0.69 0.39 0.00 -1.00 0.00 0.00 179.01 179.07 1h2i h ALA 146 N 1.29 0.83 0.38 3.43 0.00 -1.10 0.25 119.26 124.34 1h2i h ALA 146 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1h2i h ALA 146 Cb 0.97 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1h2i h ALA 146 CO 0.08 0.31 -0.18 0.28 0.00 0.00 0.00 179.25 179.73 1h2i h VAL 147 N 0.89 0.62 -0.71 0.00 2.07 -1.33 -0.15 116.25 117.64 1h2i h VAL 147 Ca 0.23 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.44 1h2i h VAL 147 Cb -0.03 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 1h2i h VAL 147 CO -0.04 0.07 0.44 0.74 0.02 0.00 0.00 177.57 178.79 1h2i h THR 148 N -0.71 1.06 -0.65 2.57 2.02 -1.31 0.21 112.91 116.10 1h2i h THR 148 Ca -0.05 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 66.87 1h2i h THR 148 Cb 0.50 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 1h2i h THR 148 CO 0.09 0.15 0.40 -0.78 0.37 0.00 0.00 175.52 175.75 1h2i h ASP 149 N 0.84 0.66 -0.54 4.18 -0.00 -0.41 -0.08 116.42 121.07 1h2i h ASP 149 Ca 0.30 -0.00 -0.11 0.00 -0.00 0.00 0.00 57.03 57.21 1h2i h ASP 149 Cb 0.07 -0.14 -0.02 0.00 -0.00 0.00 0.00 39.33 39.24 1h2i h ASP 149 CO -0.13 0.46 -0.10 1.23 -0.00 0.00 0.00 179.24 180.70 1h2i h GLY 150 N 0.79 1.10 0.99 -0.78 0.00 -0.17 -0.81 103.07 104.19 1h2i h GLY 150 Ca 0.26 -0.88 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 1h2i h GLY 150 CO -0.10 0.81 0.32 -2.00 0.00 0.00 0.00 176.54 175.57 1h2i h LEU 151 N 0.89 0.76 -0.23 3.11 5.85 -0.05 -0.86 115.31 124.77 1h2i h LEU 151 Ca 0.14 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1h2i h LEU 151 Cb 0.67 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1h2i h LEU 151 CO 0.05 0.65 0.07 0.11 -0.34 0.00 0.00 178.44 178.97 1h2i h LYS 152 N 0.82 0.37 -0.77 1.25 1.57 -0.81 -1.80 116.57 117.20 1h2i h LYS 152 Ca 0.21 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1h2i h LYS 152 Cb 0.06 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1h2i h LYS 152 CO -0.03 0.46 0.39 0.00 -0.57 0.00 0.00 179.45 179.70 1h2i h ARG 153 N 0.21 1.09 -0.08 3.15 3.08 -0.90 -1.77 114.38 119.15 1h2i h ARG 153 Ca 0.07 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1h2i h ARG 153 Cb 0.25 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1h2i h ARG 153 CO -0.00 0.82 0.04 0.00 -1.07 0.00 0.00 179.97 179.76 1h2i h ALA 154 N 1.34 0.10 -0.30 0.04 0.00 -1.02 -2.74 119.26 116.68 1h2i h ALA 154 Ca 0.27 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1h2i h ALA 154 Cb 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1h2i h ALA 154 CO -0.04 -0.34 0.21 -0.07 0.00 0.00 0.00 179.25 179.01 1h2i h LEU 155 N 0.01 0.22 -1.17 0.00 4.07 -0.99 -2.53 115.31 114.93 1h2i h LEU 155 Ca 0.03 -0.00 0.18 0.00 0.08 0.00 0.00 57.88 58.17 1h2i h LEU 155 Cb 0.12 -0.05 -0.09 0.00 1.08 0.00 0.00 40.66 41.71 1h2i h LEU 155 CO -0.00 0.15 0.61 0.03 -1.08 0.00 0.00 178.44 178.15 1h2i h ARG 156 N 0.26 0.67 -0.19 1.13 3.08 -1.01 -1.47 114.38 116.86 1h2i h ARG 156 Ca 0.13 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.19 1h2i h ARG 156 Cb 0.19 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1h2i h ARG 156 CO -0.03 0.44 0.40 0.77 -1.07 0.00 0.00 179.97 180.49 1h2i h SER 157 N 0.69 0.00 1.51 7.04 0.02 -1.54 0.03 113.55 121.30 1h2i h SER 157 Ca 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 1h2i h SER 157 Cb 0.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1h2i h SER 157 CO -0.30 0.00 0.00 -0.26 -1.14 0.00 0.00 176.83 175.13 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 0.09 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.87 1h2i h PHE 158 Cb 0.88 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.44 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 0.89 0.66 0.18 -1.45 0.00 -0.00 -4.94 105.19 100.52 1h2i n GLY 159 Ca 0.04 -1.72 -0.07 0.00 0.00 0.00 0.00 46.02 44.27 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 0.41 -0.04 1.61 2.35 -1.59 -1.05 115.58 117.26 1h2i h ASN 160 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1h2i h ASN 160 Cb 0.00 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1h2i h ASN 160 CO 0.00 0.29 0.23 0.00 -1.65 0.00 0.00 177.43 176.30 1h2i h ALA 161 N 1.19 1.34 -0.44 -0.83 0.00 0.24 0.25 119.26 121.01 1h2i h ALA 161 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1h2i h ALA 161 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1h2i h ALA 161 CO -0.08 -0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.20 1h2i n LEU 162 N -3.10 3.87 0.00 0.00 7.99 -0.86 -4.93 117.00 119.97 1h2i n LEU 162 Ca -0.01 -2.43 0.00 0.00 -0.01 0.00 0.00 56.01 53.56 1h2i n LEU 162 Cb 0.30 -0.44 0.00 0.00 -0.11 0.00 0.00 43.42 43.16 1h2i n LEU 162 CO 0.18 0.75 0.00 0.61 -1.51 0.00 0.00 177.39 177.42 1h2i n GLY 163 N 0.49 0.93 0.30 -0.72 0.00 0.88 -3.87 105.19 103.21 1h2i n GLY 163 Ca 0.20 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.24 1.61 -0.00 -1.12 -2.51 115.58 113.31 1h2i h ASN 164 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 56.30 56.14 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 0.03 -0.47 0.00 -0.00 0.00 0.00 177.43 176.99 1h2i n ILE 166 N -4.13 0.00 0.06 0.00 0.00 -0.95 0.76 119.36 115.10 1h2i n ILE 166 Ca -0.05 0.65 0.04 0.00 0.00 0.00 0.00 62.75 63.39 1h2i n ILE 166 Cb 0.58 -1.11 0.08 0.00 0.00 0.00 0.00 39.64 39.19 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 -2.57 2.28 -4.56 9.51 -0.00 -1.26 -4.90 117.00 115.50 1h2i n LEU 167 Ca 0.16 -1.59 -0.42 0.00 -0.00 0.00 0.00 56.01 54.16 1h2i n LEU 167 Cb 0.84 -0.10 -0.03 0.00 -0.00 0.00 0.00 43.42 44.13 1h2i n LEU 167 CO 0.16 0.54 1.10 -0.62 -0.00 0.00 0.00 177.39 178.57 1h2i s ASP 168 N -0.87 6.30 0.45 1.45 3.68 0.23 -4.93 116.67 122.98 1h2i s ASP 168 Ca 0.14 -0.20 0.23 0.00 2.13 0.00 0.00 52.55 54.85 1h2i s ASP 168 Cb 0.08 -2.55 1.23 0.00 -1.45 0.00 0.00 42.92 40.23 1h2i s ASP 168 CO 0.11 -1.64 1.82 0.11 0.13 0.00 0.00 175.17 175.70 1h2i h LYS 169 N 9.77 0.26 -0.01 4.34 1.57 -1.91 0.39 116.57 130.98 1h2i h LYS 169 Ca -0.27 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.39 1h2i h LYS 169 Cb 1.05 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1h2i h LYS 169 CO 1.23 0.17 -0.51 -0.44 -0.57 0.00 0.00 179.45 179.33 1h2i h ASP 170 N 0.27 0.04 -0.06 0.86 3.32 -1.96 0.01 116.42 118.91 1h2i h ASP 170 Ca 0.53 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.44 1h2i h ASP 170 Cb 1.56 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 41.11 1h2i h ASP 170 CO -0.17 0.54 -0.42 0.22 -1.72 0.00 0.00 179.24 177.69 1h2i h TYR 171 N 0.03 0.53 -0.37 4.55 3.20 -1.30 -2.61 116.97 121.00 1h2i h TYR 171 Ca -0.00 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.62 1h2i h TYR 171 Cb 0.91 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 1h2i h TYR 171 CO 0.00 1.02 0.25 -0.07 -1.64 0.00 0.00 178.16 177.72 1h2i h LEU 172 N -0.11 0.43 0.12 2.82 3.38 -1.13 -1.69 115.31 119.13 1h2i h LEU 172 Ca -0.04 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1h2i h LEU 172 Cb 1.10 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 1h2i h LEU 172 CO 0.09 0.32 -0.28 -0.09 0.09 0.00 0.00 178.44 178.56 1h2i h ARG 173 N 0.51 -0.47 0.00 1.13 2.43 -1.03 -1.37 114.38 115.58 1h2i h ARG 173 Ca 0.14 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1h2i h ARG 173 Cb -0.05 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1h2i h ARG 173 CO -0.03 -0.32 0.00 -1.13 -1.51 0.00 0.00 179.97 176.98 1h2i n SER 174 N -5.39 0.00 0.11 -3.80 3.41 -0.98 -1.88 113.62 105.09 1h2i n SER 174 Ca -0.07 0.47 -0.21 0.00 -0.26 0.00 0.00 58.87 58.80 1h2i n SER 174 Cb 0.30 -0.48 -0.15 0.00 -0.26 0.00 0.00 64.21 63.62 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 0.64 -1.35 1.04 3.38 -0.31 -3.28 115.31 115.43 1h2i h LEU 175 Ca 0.00 -0.76 -0.02 0.00 0.09 0.00 0.00 57.88 57.19 1h2i h LEU 175 Cb 0.23 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1h2i h LEU 175 CO 0.00 1.61 0.18 0.78 0.09 0.00 0.00 178.44 181.09 1h2i h ASN 176 N 0.11 0.56 0.00 -0.43 2.35 -0.67 -2.55 115.58 114.95 1h2i h ASN 176 Ca -0.24 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1h2i h ASN 176 Cb 2.09 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 40.32 1h2i h ASN 176 CO 0.23 0.51 0.00 0.29 -1.65 0.00 0.00 177.43 176.80 1h2i n LYS 177 N -4.37 0.77 -4.51 0.81 5.02 -1.15 -4.75 118.16 109.99 1h2i n LYS 177 Ca 0.03 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.07 1h2i n LYS 177 Cb 0.15 -1.15 -0.13 0.00 -0.02 0.00 0.00 35.03 33.87 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 2.23 0.83 -0.35 1.43 -0.96 -5.07 118.68 116.78 1h2i s LEU 178 Ca 0.00 -0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 52.36 1h2i s LEU 178 Cb 0.00 -0.99 0.07 0.00 0.03 0.00 0.00 46.19 45.30 1h2i s LEU 178 CO 0.00 0.13 1.02 -2.65 0.23 0.00 0.00 176.35 175.08 1h2i n PRO 179 N 1.46 0.07 -1.20 1.29 -0.02 -1.26 -4.99 135.00 130.35 1h2i n PRO 179 Ca -0.18 0.10 -0.30 0.00 -2.02 0.00 0.00 63.50 61.09 1h2i n PRO 179 Cb 0.53 -2.29 0.24 0.00 -0.02 0.00 0.00 33.50 31.97 1h2i n PRO 179 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1h2i s ARG 180 N -3.94 -1.24 -0.03 -0.52 1.70 -1.26 -5.08 118.95 108.59 1h2i s ARG 180 Ca 0.70 -0.23 -0.05 0.00 -0.47 0.00 0.00 55.73 55.68 1h2i s ARG 180 Cb -0.28 -1.61 0.01 0.00 -0.57 0.00 0.00 34.95 32.50 1h2i s ARG 180 CO 0.54 -3.69 0.11 1.14 -1.08 0.00 0.00 175.30 172.33 1h2i s GLN 181 N -5.57 0.22 -0.25 3.89 -2.07 -1.26 -5.13 119.66 109.50 1h2i s GLN 181 Ca 0.73 0.00 -0.24 0.00 -1.82 0.00 0.00 55.36 54.03 1h2i s GLN 181 Cb -0.07 0.10 -0.00 0.00 -1.09 0.00 0.00 33.01 31.94 1h2i s GLN 181 CO 0.55 -0.04 0.82 -0.48 -1.32 0.00 0.00 175.29 174.82 1h2i s LEU 182 N -0.33 4.08 -0.52 2.60 2.34 -1.26 -4.95 118.68 120.63 1h2i s LEU 182 Ca -0.04 0.98 -0.34 0.00 0.06 0.00 0.00 54.13 54.79 1h2i s LEU 182 Cb -0.03 -3.16 -0.14 0.00 -0.56 0.00 0.00 46.19 42.30 1h2i s LEU 182 CO 0.00 -0.52 2.33 -0.81 -1.06 0.00 0.00 176.35 176.29 1h2i n PRO 183 N 6.02 0.72 -1.41 1.48 -0.04 -1.26 -4.83 135.00 135.68 1h2i n PRO 183 Ca 0.05 0.15 -0.42 0.00 -0.04 0.00 0.00 63.50 63.24 1h2i n PRO 183 Cb 0.48 -2.31 0.01 0.00 -0.04 0.00 0.00 33.50 31.63 1h2i n PRO 183 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1h2i n LEU 184 N 10.72 -0.77 -4.76 1.53 0.00 -1.26 -4.94 117.00 117.52 1h2i n LEU 184 Ca 0.47 0.88 -0.40 0.00 0.00 0.00 0.00 56.01 56.97 1h2i n LEU 184 Cb 0.21 -1.05 -0.05 0.00 0.00 0.00 0.00 43.42 42.52 1h2i n LEU 184 CO 0.80 -3.25 0.44 -1.61 0.00 0.00 0.00 177.39 173.77 1h2i s GLU 185 N -1.44 4.47 -0.17 1.96 0.41 -1.26 -5.02 118.70 117.65 1h2i s GLU 185 Ca 0.62 1.02 -0.29 0.00 -0.41 0.00 0.00 54.97 55.91 1h2i s GLU 185 Cb -0.61 -3.34 -0.00 0.00 -1.78 0.00 0.00 34.13 28.40 1h2i s GLU 185 CO 0.59 0.36 1.04 0.08 -0.49 0.00 0.00 175.26 176.84 1h2i s VAL 186 N -0.30 4.70 -1.08 2.63 1.01 -1.26 -4.97 120.40 121.13 1h2i s VAL 186 Ca 0.37 2.01 -0.22 0.00 0.00 0.00 0.00 61.98 64.14 1h2i s VAL 186 Cb -0.21 -4.29 0.02 0.00 0.00 0.00 0.00 36.38 31.90 1h2i s VAL 186 CO 0.23 -0.09 1.66 -0.62 0.00 0.00 0.00 175.10 176.28 1h2i s ASP 187 N 1.18 6.17 -0.01 3.32 3.68 -1.26 -4.83 116.67 124.93 1h2i s ASP 187 Ca 0.47 -1.57 0.03 0.00 2.13 0.00 0.00 52.55 53.61 1h2i s ASP 187 Cb -0.17 -2.57 0.10 0.00 -1.45 0.00 0.00 42.92 38.82 1h2i s ASP 187 CO 0.12 -1.82 0.92 0.18 0.13 0.00 0.00 175.17 174.70 1h2i n LEU 188 N 10.30 0.95 0.14 -1.34 4.77 -1.26 -4.19 117.00 126.38 1h2i n LEU 188 Ca 0.39 -0.48 -0.14 0.00 -0.03 0.00 0.00 56.01 55.76 1h2i n LEU 188 Cb 0.49 -0.24 -0.08 0.00 -2.33 0.00 0.00 43.42 41.26 1h2i n LEU 188 CO 0.68 0.20 0.80 0.74 -1.33 0.00 0.00 177.39 178.47 1h2i h THR 189 N 0.57 0.79 -0.06 -5.08 2.02 -2.04 -2.68 112.91 106.42 1h2i h THR 189 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1h2i h THR 189 Cb 0.35 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1h2i h THR 189 CO 0.03 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.21 1h2i n LYS 190 N -5.21 1.18 -1.61 6.66 5.02 -1.26 -4.95 118.16 117.98 1h2i n LYS 190 Ca -0.09 -0.24 -0.40 0.00 -2.02 0.00 0.00 58.31 55.57 1h2i n LYS 190 Cb 0.14 -1.14 0.03 0.00 -0.02 0.00 0.00 35.03 34.04 1h2i n LYS 190 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1h2i n ALA 191 N -0.25 0.17 -1.80 7.82 0.00 -1.01 -4.91 120.51 120.52 1h2i n ALA 191 Ca 0.02 0.13 -0.41 0.00 0.00 0.00 0.00 53.44 53.19 1h2i n ALA 191 Cb 0.10 -2.09 -0.03 0.00 0.00 0.00 0.00 19.45 17.44 1h2i n ALA 191 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1h2i s LYS 192 N -2.30 4.46 -0.00 0.00 2.20 -1.26 -4.89 119.74 117.94 1h2i s LYS 192 Ca 0.68 2.05 0.00 0.00 -0.36 0.00 0.00 55.97 58.34 1h2i s LYS 192 Cb -0.49 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 1h2i s LYS 192 CO 0.53 -0.06 0.55 0.54 -0.36 0.00 0.00 175.35 176.55 1h2i n ARG 193 N 1.22 0.14 -3.84 4.03 1.74 -1.26 -5.08 116.66 113.61 1h2i n ARG 193 Ca 0.01 -0.57 -0.11 0.00 -0.77 0.00 0.00 57.85 56.41 1h2i n ARG 193 Cb 0.43 -0.52 -0.08 0.00 -1.02 0.00 0.00 32.46 31.26 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 -0.05 0.69 -0.10 5.56 -0.21 -1.26 -5.07 119.66 119.22 1h2i s GLN 194 Ca 0.00 -0.59 -0.21 0.00 0.02 0.00 0.00 55.36 54.58 1h2i s GLN 194 Cb 0.00 0.29 -0.17 0.00 1.00 0.00 0.00 33.01 34.12 1h2i s GLN 194 CO 0.00 -0.20 0.70 -0.44 -2.12 0.00 0.00 175.29 173.23 1h2i h ASP 195 N 3.50 -0.06 -2.21 5.90 3.45 -2.05 -3.46 116.42 121.50 1h2i h ASP 195 Ca -0.32 -0.57 -0.62 0.00 0.43 0.00 0.00 57.03 55.96 1h2i h ASP 195 Cb 1.19 0.01 0.11 0.00 -0.56 0.00 0.00 39.33 40.09 1h2i h ASP 195 CO 0.47 0.67 -0.02 -0.11 -1.57 0.00 0.00 179.24 178.68 1h2i n LEU 196 N -4.76 1.17 -3.53 1.55 -0.00 -1.26 -4.96 117.00 105.21 1h2i n LEU 196 Ca -0.07 1.15 -0.28 0.00 -0.00 0.00 0.00 56.01 56.81 1h2i n LEU 196 Cb 0.30 -1.22 -0.11 0.00 -0.00 0.00 0.00 43.42 42.39 1h2i n LEU 196 CO 0.25 -1.77 -0.26 -1.61 -0.00 0.00 0.00 177.39 174.00 1h2i s GLU 197 N -1.47 1.19 0.54 1.96 0.41 -1.26 -4.99 118.70 115.08 1h2i s GLU 197 Ca 0.60 -2.23 0.29 0.00 -0.41 0.00 0.00 54.97 53.22 1h2i s GLU 197 Cb -0.73 -1.88 1.45 0.00 -1.78 0.00 0.00 34.13 31.19 1h2i s GLU 197 CO 0.59 -1.32 1.94 -1.35 -0.49 0.00 0.00 175.26 174.63 1h2i h PRO 198 N 5.90 0.00 0.30 0.39 0.11 -1.98 -0.49 132.00 136.23 1h2i h PRO 198 Ca 0.19 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 1h2i h PRO 198 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1h2i h PRO 198 CO 0.43 0.00 -0.14 0.66 -0.21 0.00 0.00 178.00 178.74 1h2i h SER 199 N 0.00 -0.34 -0.08 -2.05 4.64 -2.00 -2.81 113.55 110.91 1h2i h SER 199 Ca 0.32 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 1h2i h SER 199 Cb 1.34 0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1h2i h SER 199 CO -0.00 -0.18 0.01 0.58 -0.87 0.00 0.00 176.83 176.37 1h2i h VAL 200 N -0.48 1.22 -0.06 0.95 2.07 -1.78 -2.19 116.25 115.99 1h2i h VAL 200 Ca -0.04 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.80 1h2i h VAL 200 Cb 0.36 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1h2i h VAL 200 CO 0.07 0.20 0.26 -0.08 0.02 0.00 0.00 177.57 178.03 1h2i h GLU 201 N -0.12 0.00 0.04 1.57 4.57 -1.13 0.31 114.58 119.82 1h2i h GLU 201 Ca 0.02 0.00 -0.38 0.00 -1.18 0.00 0.00 59.36 57.82 1h2i h GLU 201 Cb 0.30 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.83 1h2i h GLU 201 CO 0.00 0.00 -2.32 -1.91 -1.18 0.00 0.00 179.01 173.60 1h2i n GLU 202 N -3.11 0.68 -0.11 1.92 2.13 -1.06 -2.49 120.64 118.60 1h2i n GLU 202 Ca -0.01 0.20 0.09 0.00 0.66 0.00 0.00 57.16 58.09 1h2i n GLU 202 Cb 0.33 -1.58 0.43 0.00 0.27 0.00 0.00 31.44 30.89 1h2i n GLU 202 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1h2i h ALA 203 N -0.04 1.84 0.20 4.31 0.00 -0.60 -1.71 119.26 123.27 1h2i h ALA 203 Ca -0.54 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1h2i h ALA 203 Cb 1.91 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1h2i h ALA 203 CO -0.06 0.05 -0.10 -0.09 0.00 0.00 0.00 179.25 179.05 1h2i h ARG 204 N 0.57 -0.26 -0.70 0.00 2.43 -0.55 -3.27 114.38 112.59 1h2i h ARG 204 Ca 0.27 0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.61 1h2i h ARG 204 Cb 0.34 0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 29.83 1h2i h ARG 204 CO -0.08 0.11 0.00 -0.92 -1.51 0.00 0.00 179.97 177.57 1h2i h TYR 205 N -0.72 -0.05 -0.14 2.20 3.20 -1.04 -1.47 116.97 118.94 1h2i h TYR 205 Ca -0.03 0.05 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 1h2i h TYR 205 Cb 0.50 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.85 1h2i h TYR 205 CO 0.05 -0.21 0.08 0.09 -1.64 0.00 0.00 178.16 176.54 1h2i n ASN 206 N -5.32 5.65 0.00 -2.11 3.02 -0.72 -2.57 115.26 113.21 1h2i n ASN 206 Ca 0.12 -2.60 0.00 0.00 -0.03 0.00 0.00 54.58 52.07 1h2i n ASN 206 Cb 0.42 -1.14 0.00 0.00 -0.61 0.00 0.00 39.78 38.46 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 1.28 0.25 -0.52 6.41 3.41 -0.56 -4.57 113.62 119.32 1h2i n SER 207 Ca 0.12 -0.02 0.09 0.00 -0.26 0.00 0.00 58.87 58.80 1h2i n SER 207 Cb 0.55 0.09 0.33 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