#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 -2.82 2.69 -0.04 0.00 7.35 -1.26 -1.75 117.46 121.63 1h2i n PHE 26 Ca 0.07 0.38 0.00 0.00 -0.76 0.00 0.00 57.45 57.14 1h2i n PHE 26 Cb 0.26 -2.53 0.00 0.00 0.35 0.00 0.00 39.48 37.55 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 1.49 1.33 0.00 7.13 0.00 -0.17 -4.84 105.19 110.12 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 2.03 -2.08 1.61 6.02 -0.72 -4.01 117.38 118.24 1h2i n GLN 28 Ca 0.00 -1.19 -0.30 0.00 -0.01 0.00 0.00 57.00 55.49 1h2i n GLN 28 Cb 0.00 -0.90 0.01 0.00 1.02 0.00 0.00 30.24 30.37 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 -5.03 1.78 0.30 0.00 0.74 -1.26 -4.18 119.66 112.02 1h2i s GLN 30 Ca 0.53 -0.53 -0.29 0.00 0.05 0.00 0.00 55.36 55.12 1h2i s GLN 30 Cb -0.11 -1.50 -0.10 0.00 1.10 0.00 0.00 33.01 32.40 1h2i s GLN 30 CO 0.51 0.15 1.32 0.71 -0.55 0.00 0.00 175.29 177.43 1h2i s TYR 31 N 0.31 3.08 0.60 1.67 1.51 -1.26 -4.99 117.35 118.26 1h2i s TYR 31 Ca -0.09 1.34 -0.15 0.00 -1.01 0.00 0.00 57.07 57.16 1h2i s TYR 31 Cb -0.13 -3.68 -0.04 0.00 -0.11 0.00 0.00 41.96 38.00 1h2i s TYR 31 CO 0.03 -1.94 1.05 0.95 -1.11 0.00 0.00 175.55 174.53 1h2i s THR 32 N -0.83 3.87 0.28 -0.71 -4.23 -1.26 -4.80 115.64 107.95 1h2i s THR 32 Ca 0.51 0.86 0.01 0.00 -1.18 0.00 0.00 61.69 61.90 1h2i s THR 32 Cb -0.39 -3.41 0.27 0.00 1.34 0.00 0.00 72.50 70.31 1h2i s THR 32 CO 0.50 -0.55 1.79 0.00 -0.54 0.00 0.00 174.62 175.82 1h2i h ALA 33 N 0.37 1.46 -0.10 3.99 0.00 -1.99 0.14 119.26 123.13 1h2i h ALA 33 Ca -0.47 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1h2i h ALA 33 Cb 1.22 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1h2i h ALA 33 CO 0.58 0.04 0.03 1.49 0.00 0.00 0.00 179.25 181.39 1h2i h GLU 34 N 0.80 0.16 -0.47 0.00 4.81 -1.99 0.18 114.58 118.08 1h2i h GLU 34 Ca 0.50 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.61 1h2i h GLU 34 Cb 0.64 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 1h2i h GLU 34 CO -0.33 0.34 -0.04 1.49 -0.73 0.00 0.00 179.01 179.74 1h2i h GLU 35 N -0.04 0.86 -0.04 1.92 4.81 -1.81 -1.67 114.58 118.61 1h2i h GLU 35 Ca 0.03 -0.30 0.03 0.00 -0.13 0.00 0.00 59.36 59.00 1h2i h GLU 35 Cb 0.25 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 1h2i h GLU 35 CO 0.00 0.93 -0.22 -0.92 -0.73 0.00 0.00 179.01 178.06 1h2i h TYR 36 N 0.71 -0.59 -0.62 0.92 3.20 -0.88 -0.51 116.97 119.20 1h2i h TYR 36 Ca 0.13 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1h2i h TYR 36 Cb 0.57 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.07 1h2i h TYR 36 CO 0.04 -0.31 0.39 0.37 -1.64 0.00 0.00 178.16 177.01 1h2i h GLN 37 N -0.33 0.75 -0.51 1.82 4.15 -0.83 0.43 115.11 120.60 1h2i h GLN 37 Ca 0.07 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 1h2i h GLN 37 Cb 0.43 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 1h2i h GLN 37 CO -0.23 0.50 0.28 0.00 -1.93 0.00 0.00 178.83 177.45 1h2i h ALA 38 N 1.25 0.65 -0.34 3.38 0.00 -0.93 -2.35 119.26 120.93 1h2i h ALA 38 Ca 0.24 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1h2i h ALA 38 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1h2i h ALA 38 CO -0.08 0.17 -0.17 0.82 0.00 0.00 0.00 179.25 179.98 1h2i h ILE 39 N 0.68 1.29 -0.62 0.00 2.04 -0.74 0.13 117.51 120.28 1h2i h ILE 39 Ca 0.18 -1.29 0.12 0.00 1.00 0.00 0.00 64.86 64.87 1h2i h ILE 39 Cb 0.04 1.40 -0.09 0.00 -0.74 0.00 0.00 36.82 37.43 1h2i h ILE 39 CO -0.03 0.42 0.16 1.56 0.00 0.00 0.00 178.15 180.26 1h2i h GLN 40 N 0.49 0.28 -0.06 2.37 1.08 -0.78 0.97 115.11 119.46 1h2i h GLN 40 Ca 0.07 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 1h2i h GLN 40 Cb 0.71 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 28.07 1h2i h GLN 40 CO 0.05 0.19 -0.02 0.87 -0.95 0.00 0.00 178.83 178.97 1h2i h LYS 41 N 0.29 0.11 -0.71 1.46 1.57 -1.25 -3.17 116.57 114.88 1h2i h LYS 41 Ca 0.33 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.11 1h2i h LYS 41 Cb 0.49 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 1h2i h LYS 41 CO -0.40 0.45 0.46 0.00 -0.57 0.00 0.00 179.45 179.40 1h2i h ALA 42 N 0.66 1.62 0.00 3.86 0.00 -0.35 -2.28 119.26 122.77 1h2i h ALA 42 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1h2i h ALA 42 Cb 0.41 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1h2i h ALA 42 CO 0.01 0.30 -0.08 -0.07 0.00 0.00 0.00 179.25 179.40 1h2i h LEU 43 N 0.83 0.00 -1.26 0.00 3.38 -0.80 -2.84 115.31 114.62 1h2i h LEU 43 Ca 0.29 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.19 1h2i h LEU 43 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1h2i h LEU 43 CO -0.08 0.08 -0.33 0.03 0.09 0.00 0.00 178.44 178.23 1h2i h ARG 44 N 0.00 0.00 -6.76 1.13 3.08 -1.43 0.06 114.38 110.47 1h2i h ARG 44 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1h2i h ARG 44 Cb 0.31 0.00 0.10 0.00 0.08 0.00 0.00 29.97 30.46 1h2i h ARG 44 CO 0.01 0.33 0.63 1.04 -1.07 0.00 0.00 179.97 180.91 1h2i n GLN 45 N -3.79 2.29 -2.43 0.04 6.02 -1.07 -4.61 117.38 113.82 1h2i n GLN 45 Ca -0.01 0.81 -0.28 0.00 -0.01 0.00 0.00 57.00 57.51 1h2i n GLN 45 Cb 0.42 -2.46 0.01 0.00 1.02 0.00 0.00 30.24 29.23 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 -1.46 3.30 0.01 -1.09 1.81 -1.26 -1.34 118.95 118.92 1h2i s ARG 46 Ca 0.58 0.20 -0.01 0.00 -1.72 0.00 0.00 55.73 54.78 1h2i s ARG 46 Cb -0.56 -2.29 -0.04 0.00 -0.45 0.00 0.00 34.95 31.62 1h2i s ARG 46 CO 0.58 -0.46 0.16 -0.48 -0.68 0.00 0.00 175.30 174.43 1h2i s LEU 47 N -4.91 4.25 1.17 2.53 2.34 -1.26 -4.89 118.68 117.91 1h2i s LEU 47 Ca 0.51 0.28 -0.17 0.00 0.06 0.00 0.00 54.13 54.81 1h2i s LEU 47 Cb -0.10 -2.61 0.27 0.00 -0.56 0.00 0.00 46.19 43.19 1h2i s LEU 47 CO 0.46 0.24 1.07 -0.83 -1.06 0.00 0.00 176.35 176.23 1h2i s GLY 48 N -2.03 1.54 0.60 -3.48 0.00 -1.26 -4.91 107.32 97.79 1h2i s GLY 48 Ca 0.28 -0.64 0.31 0.00 0.00 0.00 0.00 44.72 44.67 1h2i s GLY 48 CO 0.20 0.16 2.22 -2.55 0.00 0.00 0.00 173.10 173.13 1h2i h PRO 49 N -2.52 0.00 0.00 2.90 0.11 -1.96 -2.23 132.00 128.31 1h2i h PRO 49 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1h2i h PRO 49 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1h2i h PRO 49 CO 0.43 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.37 1h2i n GLU 50 N -3.72 0.14 -0.10 1.05 0.00 -1.26 -2.85 120.64 113.90 1h2i n GLU 50 Ca -0.02 0.20 -0.13 0.00 0.00 0.00 0.00 57.16 57.21 1h2i n GLU 50 Cb 0.15 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 29.98 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 -1.32 0.00 -2.61 -1.84 4.02 -0.84 -5.00 117.16 109.58 1h2i n TYR 51 Ca 0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.52 1h2i n TYR 51 Cb 0.10 -0.83 -0.03 0.00 -0.02 0.00 0.00 39.34 38.55 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 4.42 0.36 -0.72 -1.09 -1.13 -4.43 121.20 116.18 1h2i s ILE 52 Ca -0.22 1.84 0.03 0.00 -2.23 0.00 0.00 60.65 60.08 1h2i s ILE 52 Cb 0.07 -4.18 -0.05 0.00 -1.58 0.00 0.00 42.46 36.72 1h2i s ILE 52 CO 0.57 0.20 0.08 -0.94 -1.23 0.00 0.00 174.94 173.62 1h2i s SER 53 N 0.62 2.52 0.15 3.58 1.04 -0.45 -4.98 113.70 116.17 1h2i s SER 53 Ca 0.52 -1.49 -0.11 0.00 0.48 0.00 0.00 55.95 55.35 1h2i s SER 53 Cb -0.25 0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.03 1h2i s SER 53 CO 0.30 -0.74 0.32 -0.94 0.98 0.00 0.00 173.24 173.16 1h2i s SER 54 N -3.53 -0.03 0.22 7.02 1.04 -1.26 -1.43 113.70 115.72 1h2i s SER 54 Ca 0.31 -0.67 -0.02 0.00 0.48 0.00 0.00 55.95 56.04 1h2i s SER 54 Cb 0.06 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 1h2i s SER 54 CO 0.15 -0.88 0.21 0.00 0.98 0.00 0.00 173.24 173.70 1h2i s ARG 55 N -3.90 1.33 -0.27 4.02 1.70 -0.71 -4.96 118.95 116.15 1h2i s ARG 55 Ca 0.11 -1.60 -0.15 0.00 -0.47 0.00 0.00 55.73 53.62 1h2i s ARG 55 Cb 0.03 0.31 -0.04 0.00 -0.57 0.00 0.00 34.95 34.68 1h2i s ARG 55 CO -0.05 -0.47 0.36 -1.64 -1.08 0.00 0.00 175.30 172.42 1h2i s MET 56 N -4.04 4.00 0.72 3.89 -1.94 -1.26 -1.34 119.30 119.33 1h2i s MET 56 Ca 0.36 0.00 -0.11 0.00 -1.71 0.00 0.00 55.69 54.23 1h2i s MET 56 Cb 0.05 -3.66 0.02 0.00 2.01 0.00 0.00 34.83 33.26 1h2i s MET 56 CO 0.13 -0.28 1.07 0.00 -0.01 0.00 0.00 175.02 175.93 1h2i s ALA 57 N 2.05 2.58 0.39 3.03 0.00 0.72 -4.89 121.76 125.64 1h2i s ALA 57 Ca 0.14 -0.03 0.10 0.00 0.00 0.00 0.00 51.96 52.18 1h2i s ALA 57 Cb -0.16 -3.15 0.89 0.00 0.00 0.00 0.00 23.12 20.70 1h2i s ALA 57 CO 0.10 -1.35 1.95 0.78 0.00 0.00 0.00 175.76 177.24 1h2i h GLY 58 N -0.81 0.83 -0.99 0.00 0.00 -1.98 -0.25 103.07 99.87 1h2i h GLY 58 Ca -0.45 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1h2i h GLY 58 CO 0.58 0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.87 1h2i n GLY 59 N -1.48 0.93 3.21 4.60 0.00 -1.26 -4.74 105.19 106.45 1h2i n GLY 59 Ca 0.12 0.00 -0.23 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 0.18 -0.52 3.12 -0.02 0.00 -0.11 -4.98 105.19 102.87 1h2i n GLY 60 Ca 0.00 0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.90 1.36 0.38 1.61 -2.07 -1.21 -4.90 119.66 108.94 1h2i s GLN 61 Ca 0.38 -0.55 -0.28 0.00 -1.82 0.00 0.00 55.36 53.10 1h2i s GLN 61 Cb -0.18 -1.28 -0.11 0.00 -1.09 0.00 0.00 33.01 30.36 1h2i s GLN 61 CO 0.47 0.29 1.50 1.17 -1.32 0.00 0.00 175.29 177.41 1h2i n LYS 62 N 2.86 2.70 -3.81 9.60 4.81 -1.26 -0.20 118.16 132.86 1h2i n LYS 62 Ca -0.16 0.95 -0.24 0.00 -0.87 0.00 0.00 58.31 57.99 1h2i n LYS 62 Cb 0.54 -2.69 -0.17 0.00 0.02 0.00 0.00 35.03 32.73 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 -1.09 0.58 0.26 3.15 1.01 -0.45 -4.84 120.40 119.02 1h2i s VAL 63 Ca 0.53 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.38 1h2i s VAL 63 Cb -0.47 -0.72 -0.07 0.00 0.00 0.00 0.00 36.38 35.12 1h2i s VAL 63 CO 0.64 0.26 0.57 0.00 0.00 0.00 0.00 175.10 176.56 1h2i s TYR 65 N -1.94 -0.14 -0.06 0.00 -0.85 -0.51 -4.99 117.35 108.86 1h2i s TYR 65 Ca 0.47 -0.15 0.03 0.00 -0.52 0.00 0.00 57.07 56.90 1h2i s TYR 65 Cb -0.11 0.63 -0.03 0.00 0.38 0.00 0.00 41.96 42.83 1h2i s TYR 65 CO 0.25 -0.79 -0.14 0.42 -1.52 0.00 0.00 175.55 173.77 1h2i s ILE 66 N -3.24 3.11 0.25 -3.49 1.01 -1.26 -1.35 121.20 116.23 1h2i s ILE 66 Ca 0.12 -0.70 -0.30 0.00 0.00 0.00 0.00 60.65 59.77 1h2i s ILE 66 Cb -0.01 -2.23 -0.09 0.00 0.01 0.00 0.00 42.46 40.14 1h2i s ILE 66 CO 0.01 0.59 1.04 -1.61 0.00 0.00 0.00 174.94 174.97 1h2i s GLU 67 N -0.65 4.72 0.30 2.79 2.02 -1.26 -4.92 118.70 121.69 1h2i s GLU 67 Ca 0.10 1.67 0.04 0.00 0.02 0.00 0.00 54.97 56.79 1h2i s GLU 67 Cb -0.11 -3.24 0.77 0.00 0.10 0.00 0.00 34.13 31.65 1h2i s GLU 67 CO 0.01 0.31 1.64 0.78 0.02 0.00 0.00 175.26 178.02 1h2i h GLY 68 N 4.15 1.44 2.00 -1.39 0.00 -1.98 0.16 103.07 107.45 1h2i h GLY 68 Ca -0.46 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 1h2i h GLY 68 CO 0.68 -0.40 -0.21 1.12 0.00 0.00 0.00 176.54 177.73 1h2i h HIS 69 N 0.20 0.00 -0.22 5.60 2.07 -1.99 0.20 115.15 121.01 1h2i h HIS 69 Ca 0.58 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.91 1h2i h HIS 69 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 1h2i h HIS 69 CO -0.25 0.21 -0.60 0.00 -3.07 0.00 0.00 177.93 174.21 1h2i h ARG 70 N 0.00 0.80 -0.63 5.12 2.47 -1.07 -2.47 114.38 118.60 1h2i h ARG 70 Ca -0.00 -0.56 -0.02 0.00 -1.26 0.00 0.00 59.98 58.13 1h2i h ARG 70 Cb 0.39 0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.78 1h2i h ARG 70 CO 0.03 1.19 0.29 0.28 0.56 0.00 0.00 179.97 182.32 1h2i h VAL 71 N 0.54 1.22 -0.68 2.04 2.07 -0.94 0.14 116.25 120.64 1h2i h VAL 71 Ca -0.01 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 66.90 1h2i h VAL 71 Cb 1.22 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1h2i h VAL 71 CO 0.13 0.26 0.43 0.40 0.02 0.00 0.00 177.57 178.81 1h2i h ILE 72 N 0.86 1.12 -0.22 4.57 2.04 -0.89 0.68 117.51 125.67 1h2i h ILE 72 Ca 0.21 -0.30 -0.17 0.00 1.00 0.00 0.00 64.86 65.61 1h2i h ILE 72 Cb 0.13 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1h2i h ILE 72 CO -0.03 0.16 -0.55 0.78 0.00 0.00 0.00 178.15 178.51 1h2i h ASN 73 N 0.86 0.73 -0.47 1.72 2.35 -1.02 -0.28 115.58 119.48 1h2i h ASN 73 Ca 0.26 -0.39 0.04 0.00 -0.55 0.00 0.00 56.30 55.66 1h2i h ASN 73 Cb -0.03 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.09 1h2i h ASN 73 CO -0.09 1.13 0.23 -0.07 -1.65 0.00 0.00 177.43 176.99 1h2i h LEU 74 N 0.51 0.32 -0.15 1.61 3.38 -0.12 -0.76 115.31 120.11 1h2i h LEU 74 Ca 0.01 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1h2i h LEU 74 Cb 1.11 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1h2i h LEU 74 CO 0.11 0.23 0.07 0.00 0.09 0.00 0.00 178.44 178.94 1h2i h ALA 75 N 1.26 0.19 -0.75 1.53 0.00 -0.50 0.03 119.26 121.02 1h2i h ALA 75 Ca 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1h2i h ALA 75 Cb 0.13 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1h2i h ALA 75 CO -0.15 -0.25 0.43 -0.91 0.00 0.00 0.00 179.25 178.36 1h2i h ASN 76 N 0.11 0.91 0.60 0.00 2.35 -0.74 -0.26 115.58 118.55 1h2i h ASN 76 Ca 0.05 -0.06 -0.20 0.00 -0.55 0.00 0.00 56.30 55.54 1h2i h ASN 76 Cb 0.12 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1h2i h ASN 76 CO -0.01 0.72 -0.87 -0.33 -1.65 0.00 0.00 177.43 175.29 1h2i h GLU 77 N 1.03 0.18 -0.12 0.81 4.39 -0.97 0.40 114.58 120.30 1h2i h GLU 77 Ca 0.27 -0.20 -0.12 0.00 0.34 0.00 0.00 59.36 59.65 1h2i h GLU 77 Cb -0.01 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1h2i h GLU 77 CO -0.05 0.94 -0.39 1.98 -1.16 0.00 0.00 179.01 180.34 1h2i h MET 78 N 0.10 0.48 -0.00 2.33 4.05 -0.41 -3.38 114.93 118.10 1h2i h MET 78 Ca -0.04 -0.35 0.00 0.00 -0.28 0.00 0.00 59.70 59.03 1h2i h MET 78 Cb 1.50 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.36 1h2i h MET 78 CO 0.13 0.97 -0.36 1.19 0.23 0.00 0.00 176.91 179.07 1h2i n PHE 79 N -4.32 0.00 0.00 1.39 3.72 -0.16 -4.97 117.46 113.12 1h2i n PHE 79 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1h2i n PHE 79 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 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 1.13 1.01 0.33 1.37 0.00 0.14 -3.23 105.19 105.95 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 -0.52 116.97 115.80 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 -4.02 4.51 -0.06 0.10 2.04 -1.26 -4.51 115.26 112.06 1h2i n ASN 82 Ca 0.02 -2.97 0.08 0.00 -0.44 0.00 0.00 54.58 51.28 1h2i n ASN 82 Cb 0.34 -0.59 -0.08 0.00 -2.53 0.00 0.00 39.78 36.92 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 -0.09 -0.53 3.15 4.83 0.00 -0.20 -4.73 105.19 107.62 1h2i n GLY 83 Ca 0.23 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.55 0.27 0.22 1.61 1.48 -1.25 -1.75 118.94 116.97 1h2i s TRP 84 Ca 0.08 -0.72 -0.12 0.00 -1.06 0.00 0.00 56.10 54.28 1h2i s TRP 84 Cb 0.13 -0.18 -0.00 0.00 -1.16 0.00 0.00 33.47 32.26 1h2i s TRP 84 CO 0.67 -0.46 0.42 0.00 -4.06 0.00 0.00 176.95 173.52 1h2i s ALA 85 N -3.65 -0.21 -0.05 2.67 0.00 0.13 -4.96 121.76 115.67 1h2i s ALA 85 Ca 0.04 -0.83 -0.25 0.00 0.00 0.00 0.00 51.96 50.92 1h2i s ALA 85 Cb 0.05 1.01 0.05 0.00 0.00 0.00 0.00 23.12 24.23 1h2i s ALA 85 CO -0.10 -0.79 0.55 -3.38 0.00 0.00 0.00 175.76 172.04 1h2i s HIS 86 N -3.99 -0.50 0.10 0.00 -3.43 -1.26 -0.43 115.29 105.78 1h2i s HIS 86 Ca 0.20 0.88 -0.00 0.00 -0.80 0.00 0.00 55.06 55.34 1h2i s HIS 86 Cb 0.01 0.29 -0.04 0.00 -1.43 0.00 0.00 32.58 31.40 1h2i s HIS 86 CO 0.06 -0.51 -0.00 -1.54 -2.00 0.00 0.00 174.74 170.75 1h2i s SER 87 N -1.10 0.59 -0.46 7.38 1.04 -0.23 -4.98 113.70 115.94 1h2i s SER 87 Ca -0.11 -1.09 -0.14 0.00 0.48 0.00 0.00 55.95 55.09 1h2i s SER 87 Cb -0.02 0.21 0.07 0.00 0.10 0.00 0.00 66.02 66.38 1h2i s SER 87 CO 0.07 -0.62 0.36 -0.63 0.98 0.00 0.00 173.24 173.40 1h2i s ILE 88 N -3.90 4.98 0.32 -1.02 1.01 -1.26 -1.18 121.20 120.14 1h2i s ILE 88 Ca 0.15 -1.13 0.09 0.00 0.00 0.00 0.00 60.65 59.76 1h2i s ILE 88 Cb 0.07 -3.98 0.05 0.00 0.01 0.00 0.00 42.46 38.61 1h2i s ILE 88 CO -0.04 -0.55 1.73 0.71 0.00 0.00 0.00 174.94 176.79 1h2i h THR 89 N 5.83 1.31 -1.48 2.92 1.35 -1.01 -3.46 112.91 118.39 1h2i h THR 89 Ca -0.27 -1.52 0.10 0.00 -0.55 0.00 0.00 66.41 64.17 1h2i h THR 89 Cb 1.10 1.74 -0.25 0.00 -1.73 0.00 0.00 68.15 69.01 1h2i h THR 89 CO 0.84 0.44 0.59 -1.58 -0.25 0.00 0.00 175.52 175.56 1h2i s GLN 90 N -4.09 0.47 -0.06 4.72 0.74 -1.18 -4.99 119.66 115.27 1h2i s GLN 90 Ca -0.04 0.27 0.02 0.00 0.05 0.00 0.00 55.36 55.66 1h2i s GLN 90 Cb 0.14 0.22 0.01 0.00 1.10 0.00 0.00 33.01 34.48 1h2i s GLN 90 CO 0.76 -0.11 -0.10 -1.14 -0.55 0.00 0.00 175.29 174.14 1h2i s GLN 91 N -0.58 1.44 -0.04 1.67 0.74 -1.26 -0.27 119.66 121.36 1h2i s GLN 91 Ca 0.02 -0.34 0.03 0.00 0.05 0.00 0.00 55.36 55.11 1h2i s GLN 91 Cb -0.02 -1.24 0.01 0.00 1.10 0.00 0.00 33.01 32.86 1h2i s GLN 91 CO -0.03 0.02 -0.11 1.21 -0.55 0.00 0.00 175.29 175.83 1h2i s ASN 92 N 0.64 1.51 -0.36 6.67 3.84 -0.02 -5.00 114.94 122.23 1h2i s ASN 92 Ca -0.12 -0.24 -0.22 0.00 0.21 0.00 0.00 52.86 52.48 1h2i s ASN 92 Cb -0.15 -0.52 0.01 0.00 -0.55 0.00 0.00 41.25 40.04 1h2i s ASN 92 CO 0.03 0.06 0.73 -0.69 -2.79 0.00 0.00 177.10 174.44 1h2i s VAL 93 N 0.36 4.79 0.16 -5.21 1.01 -1.26 -1.02 120.40 119.22 1h2i s VAL 93 Ca -0.07 0.80 -0.07 0.00 0.00 0.00 0.00 61.98 62.64 1h2i s VAL 93 Cb -0.12 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 32.02 1h2i s VAL 93 CO 0.02 -0.39 1.45 0.44 0.00 0.00 0.00 175.10 176.62 1h2i h ASP 94 N 8.46 0.77 -4.10 3.32 3.45 -0.83 -3.48 116.42 124.02 1h2i h ASP 94 Ca -0.25 -0.43 0.18 0.00 0.43 0.00 0.00 57.03 56.96 1h2i h ASP 94 Cb 1.10 -0.22 -0.21 0.00 -0.56 0.00 0.00 39.33 39.44 1h2i h ASP 94 CO 0.88 1.18 0.71 0.72 -1.57 0.00 0.00 179.24 181.16 1h2i s PHE 95 N -4.01 -0.22 -0.30 4.55 -0.12 -1.17 -4.98 117.98 111.73 1h2i s PHE 95 Ca -0.09 0.24 -0.02 0.00 -0.05 0.00 0.00 56.93 57.02 1h2i s PHE 95 Cb 0.11 0.50 0.10 0.00 -0.63 0.00 0.00 43.02 43.10 1h2i s PHE 95 CO 0.86 -0.27 0.11 0.08 -0.05 0.00 0.00 175.22 175.95 1h2i s VAL 96 N -1.98 0.50 -0.06 -2.49 1.01 -1.26 -2.51 120.40 113.60 1h2i s VAL 96 Ca 0.06 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 60.87 1h2i s VAL 96 Cb -0.01 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1h2i s VAL 96 CO -0.04 -0.70 0.01 -1.81 0.00 0.00 0.00 175.10 172.56 1h2i s ASP 97 N 1.79 5.29 -0.31 3.32 1.01 0.97 -4.94 116.67 123.79 1h2i s ASP 97 Ca 0.10 0.13 -0.01 0.00 0.71 0.00 0.00 52.55 53.47 1h2i s ASP 97 Cb -0.17 -1.48 0.06 0.00 1.01 0.00 0.00 42.92 42.35 1h2i s ASP 97 CO -0.30 0.35 0.02 -0.22 0.21 0.00 0.00 175.17 175.24 1h2i s LEU 98 N -1.08 4.10 0.00 1.23 2.96 -1.26 0.59 118.68 125.21 1h2i s LEU 98 Ca 0.15 -1.45 0.09 0.00 -0.22 0.00 0.00 54.13 52.70 1h2i s LEU 98 Cb -0.11 -1.71 0.11 0.00 0.50 0.00 0.00 46.19 44.98 1h2i s LEU 98 CO 0.05 -0.30 0.87 0.59 -1.32 0.00 0.00 176.35 176.24 1h2i n ASN 99 N 4.57 1.96 0.00 3.68 5.03 -0.85 -4.97 115.26 124.69 1h2i n ASN 99 Ca -0.11 -1.50 0.00 0.00 0.87 0.00 0.00 54.58 53.84 1h2i n ASN 99 Cb 0.43 -0.04 0.00 0.00 -1.02 0.00 0.00 39.78 39.15 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 0.49 0.00 0.00 6.41 3.02 -1.26 -4.91 115.26 119.01 1h2i n ASN 100 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1h2i n ASN 100 Cb 0.26 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 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 2.47 3.59 7.41 0.00 -1.26 -5.02 105.19 112.38 1h2i n GLY 101 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.91 2.13 -0.09 1.61 1.02 -1.26 -4.47 119.74 117.77 1h2i s LYS 102 Ca 0.00 -1.15 -0.04 0.00 0.02 0.00 0.00 55.97 54.81 1h2i s LYS 102 Cb 0.00 -2.24 -0.04 0.00 -0.52 0.00 0.00 37.83 35.03 1h2i s LYS 102 CO 0.00 0.47 0.06 -0.06 -0.92 0.00 0.00 175.35 174.90 1h2i s PHE 103 N -1.50 3.33 -0.21 3.18 0.40 -0.02 -2.00 117.98 121.16 1h2i s PHE 103 Ca 0.24 0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.90 1h2i s PHE 103 Cb -0.10 -1.84 0.04 0.00 0.51 0.00 0.00 43.02 41.63 1h2i s PHE 103 CO 0.15 0.57 -0.14 0.71 0.70 0.00 0.00 175.22 177.21 1h2i s TYR 104 N -0.97 2.81 -0.06 0.36 1.51 0.20 -1.28 117.35 119.92 1h2i s TYR 104 Ca 0.15 -1.83 0.02 0.00 -1.01 0.00 0.00 57.07 54.41 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 0.04 -0.81 -0.12 0.08 -1.11 0.00 0.00 175.55 173.63 1h2i s VAL 105 N 1.27 1.13 -0.13 0.71 1.01 0.42 -0.02 120.40 124.79 1h2i s VAL 105 Ca -0.01 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1h2i s VAL 105 Cb -0.16 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.20 1h2i s VAL 105 CO -0.09 0.35 -0.21 -0.83 0.00 0.00 0.00 175.10 174.32 1h2i s GLY 106 N 0.57 1.28 -0.01 4.51 0.00 -1.05 -1.58 107.32 111.06 1h2i s GLY 106 Ca -0.13 -1.00 0.03 0.00 0.00 0.00 0.00 44.72 43.62 1h2i s GLY 106 CO 0.03 -0.00 -0.09 0.14 0.00 0.00 0.00 173.10 173.18 1h2i s VAL 107 N 0.80 0.71 0.15 1.40 1.01 -0.22 -0.04 120.40 124.21 1h2i s VAL 107 Ca -0.08 -0.38 0.11 0.00 0.00 0.00 0.00 61.98 61.62 1h2i s VAL 107 Cb -0.16 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1h2i s VAL 107 CO -0.01 0.20 -0.25 0.00 0.00 0.00 0.00 175.10 175.04 1h2i s ALA 109 N -1.31 0.22 -0.26 0.00 0.00 -0.29 -0.84 121.76 119.29 1h2i s ALA 109 Ca 0.17 -0.41 -0.03 0.00 0.00 0.00 0.00 51.96 51.70 1h2i s ALA 109 Cb -0.09 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1h2i s ALA 109 CO 0.08 -0.05 -0.03 -0.06 0.00 0.00 0.00 175.76 175.70 1h2i s PHE 110 N -0.84 3.08 -0.14 0.00 0.40 0.62 -0.05 117.98 121.06 1h2i s PHE 110 Ca -0.08 -1.41 -0.01 0.00 -0.60 0.00 0.00 56.93 54.84 1h2i s PHE 110 Cb -0.06 -2.10 -0.01 0.00 0.51 0.00 0.00 43.02 41.35 1h2i s PHE 110 CO -0.00 -0.69 -0.12 0.08 0.70 0.00 0.00 175.22 175.18 1h2i s VAL 111 N 1.37 3.05 -0.24 -0.44 1.01 -0.56 -0.27 120.40 124.32 1h2i s VAL 111 Ca 0.01 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 1h2i s VAL 111 Cb -0.17 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.93 1h2i s VAL 111 CO -0.03 0.51 -0.04 -0.60 0.00 0.00 0.00 175.10 174.95 1h2i s ARG 112 N 0.50 3.08 -0.06 2.72 3.52 -0.33 -1.77 118.95 126.62 1h2i s ARG 112 Ca -0.09 -0.82 -0.03 0.00 -0.13 0.00 0.00 55.73 54.67 1h2i s ARG 112 Cb -0.16 -3.04 -0.04 0.00 -1.56 0.00 0.00 34.95 30.16 1h2i s ARG 112 CO 0.04 -0.33 0.07 0.54 -0.81 0.00 0.00 175.30 174.82 1h2i s VAL 113 N 1.41 4.79 0.06 7.11 0.11 -0.39 -1.07 120.40 132.43 1h2i s VAL 113 Ca 0.03 -0.20 0.03 0.00 -2.93 0.00 0.00 61.98 58.91 1h2i s VAL 113 Cb -0.16 -3.11 -0.03 0.00 -1.53 0.00 0.00 36.38 31.55 1h2i s VAL 113 CO -0.03 0.50 -0.10 -1.58 -3.33 0.00 0.00 175.10 170.55 1h2i s GLN 114 N -1.29 0.68 0.36 1.54 0.74 0.43 -1.60 119.66 120.52 1h2i s GLN 114 Ca 0.18 -0.89 0.06 0.00 0.05 0.00 0.00 55.36 54.76 1h2i s GLN 114 Cb -0.12 -0.50 -0.01 0.00 1.10 0.00 0.00 33.01 33.48 1h2i s GLN 114 CO 0.08 0.10 0.51 -0.51 -0.55 0.00 0.00 175.29 174.91 1h2i s LEU 115 N -1.79 3.89 0.19 3.68 1.02 -0.49 0.18 118.68 125.36 1h2i s LEU 115 Ca -0.05 -0.16 0.16 0.00 0.02 0.00 0.00 54.13 54.10 1h2i s LEU 115 Cb -0.09 -2.79 0.78 0.00 0.02 0.00 0.00 46.19 44.12 1h2i s LEU 115 CO 0.01 -0.52 1.49 2.29 0.02 0.00 0.00 176.35 179.64 1h2i n LYS 116 N -1.73 0.10 -0.13 1.70 2.85 -0.72 -1.20 118.16 119.04 1h2i n LYS 116 Ca 0.01 0.51 -0.11 0.00 -1.05 0.00 0.00 58.31 57.67 1h2i n LYS 116 Cb 0.58 -1.77 -0.02 0.00 -0.65 0.00 0.00 35.03 33.16 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 0.74 0.00 -5.58 -0.00 -1.85 -0.14 116.42 109.60 1h2i h ASP 117 Ca 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 57.03 56.65 1h2i h ASP 117 Cb 0.11 -0.20 0.00 0.00 -0.00 0.00 0.00 39.33 39.23 1h2i h ASP 117 CO 0.00 0.95 0.00 0.61 -0.00 0.00 0.00 179.24 180.80 1h2i n GLY 118 N -0.15 1.98 3.75 -0.78 0.00 -0.34 -4.45 105.19 105.20 1h2i n GLY 118 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.83 4.56 0.17 1.61 1.04 -1.26 -4.77 113.70 113.23 1h2i s SER 119 Ca 0.00 2.08 -0.23 0.00 0.48 0.00 0.00 55.95 58.27 1h2i s SER 119 Cb 0.00 -2.56 0.06 0.00 0.10 0.00 0.00 66.02 63.62 1h2i s SER 119 CO 0.00 -2.00 0.70 -0.72 0.98 0.00 0.00 173.24 172.20 1h2i s TYR 120 N -2.38 -0.39 -0.11 5.02 -0.85 -1.26 -1.40 117.35 115.99 1h2i s TYR 120 Ca 0.68 0.11 -0.10 0.00 -0.52 0.00 0.00 57.07 57.24 1h2i s TYR 120 Cb -0.22 0.60 0.03 0.00 0.38 0.00 0.00 41.96 42.75 1h2i s TYR 120 CO 0.47 -0.91 0.29 -1.01 -1.52 0.00 0.00 175.55 172.86 1h2i s HIS 121 N -3.67 -0.31 0.01 -3.49 3.76 -0.63 -5.01 115.29 105.95 1h2i s HIS 121 Ca 0.05 0.76 0.05 0.00 -0.15 0.00 0.00 55.06 55.77 1h2i s HIS 121 Cb -0.02 0.11 -0.02 0.00 1.11 0.00 0.00 32.58 33.76 1h2i s HIS 121 CO -0.06 -0.15 -0.14 -2.00 -0.85 0.00 0.00 174.74 171.54 1h2i s GLU 122 N 0.15 1.05 0.27 1.40 2.12 -1.26 -1.26 118.70 121.16 1h2i s GLU 122 Ca -0.00 -0.61 -0.07 0.00 0.36 0.00 0.00 54.97 54.65 1h2i s GLU 122 Cb -0.02 -1.04 -0.01 0.00 0.26 0.00 0.00 34.13 33.32 1h2i s GLU 122 CO 0.00 0.27 0.41 0.34 -0.54 0.00 0.00 175.26 175.75 1h2i s ASP 123 N -0.67 0.30 0.04 -1.70 -1.08 -0.73 -4.89 116.67 107.95 1h2i s ASP 123 Ca 0.04 -1.21 0.00 0.00 -0.52 0.00 0.00 52.55 50.86 1h2i s ASP 123 Cb -0.06 0.57 -0.04 0.00 -1.46 0.00 0.00 42.92 41.93 1h2i s ASP 123 CO 0.00 -1.14 0.15 -0.69 0.52 0.00 0.00 175.17 174.01 1h2i s VAL 124 N -3.71 5.06 0.17 1.11 1.01 -1.26 -1.49 120.40 121.28 1h2i s VAL 124 Ca 0.28 -0.43 0.09 0.00 0.00 0.00 0.00 61.98 61.92 1h2i s VAL 124 Cb 0.01 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1h2i s VAL 124 CO 0.13 0.22 -0.19 -0.83 0.00 0.00 0.00 175.10 174.43 1h2i s GLY 125 N -2.20 1.46 0.04 4.51 0.00 0.93 -4.49 107.32 107.57 1h2i s GLY 125 Ca 0.29 -1.52 0.06 0.00 0.00 0.00 0.00 44.72 43.56 1h2i s GLY 125 CO 0.22 -1.56 -0.17 -0.47 0.00 0.00 0.00 173.10 171.11 1h2i s TYR 126 N -1.96 1.52 -0.07 1.90 5.04 -1.26 -1.14 117.35 121.38 1h2i s TYR 126 Ca 0.17 -0.36 0.04 0.00 -2.44 0.00 0.00 57.07 54.48 1h2i s TYR 126 Cb -0.06 -0.91 0.00 0.00 0.35 0.00 0.00 41.96 41.34 1h2i s TYR 126 CO 0.07 0.06 -0.20 0.20 -1.34 0.00 0.00 175.55 174.34 1h2i s GLY 127 N -1.10 1.12 0.04 8.97 0.00 0.28 -3.82 107.32 112.81 1h2i s GLY 127 Ca 0.05 -0.80 0.06 0.00 0.00 0.00 0.00 44.72 44.02 1h2i s GLY 127 CO 0.01 -0.30 -0.17 0.14 0.00 0.00 0.00 173.10 172.79 1h2i s VAL 128 N 0.24 1.32 -0.18 1.40 1.01 -1.26 -1.06 120.40 121.87 1h2i s VAL 128 Ca -0.12 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 60.78 1h2i s VAL 128 Cb -0.15 -1.17 0.08 0.00 0.00 0.00 0.00 36.38 35.15 1h2i s VAL 128 CO 0.05 0.10 0.22 -0.55 0.00 0.00 0.00 175.10 174.92 1h2i s SER 129 N -1.10 1.20 -0.10 3.32 0.15 -0.61 -4.52 113.70 112.03 1h2i s SER 129 Ca 0.04 -0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.63 1h2i s SER 129 Cb -0.08 0.40 0.01 0.00 -1.71 0.00 0.00 66.02 64.64 1h2i s SER 129 CO 0.01 -0.31 -0.15 -1.61 1.20 0.00 0.00 173.24 172.39 1h2i s GLU 130 N 2.33 2.14 0.00 5.44 2.02 -1.26 -0.43 118.70 128.94 1h2i s GLU 130 Ca 0.06 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.51 1h2i s GLU 130 Cb -0.15 -1.83 0.00 0.00 0.10 0.00 0.00 34.13 32.25 1h2i s GLU 130 CO -0.11 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.52 1h2i n GLY 131 N 4.19 2.94 3.68 -1.39 0.00 -0.40 -5.01 105.19 109.20 1h2i n GLY 131 Ca -0.19 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 2.61 -0.01 0.99 1.43 -1.26 -4.52 118.68 117.93 1h2i s LEU 132 Ca 0.00 1.95 0.20 0.00 -1.03 0.00 0.00 54.13 55.25 1h2i s LEU 132 Cb 0.00 -4.36 -0.24 0.00 0.03 0.00 0.00 46.19 41.61 1h2i s LEU 132 CO 0.00 -2.90 0.78 0.29 0.23 0.00 0.00 176.35 174.74 1h2i n LYS 133 N -4.09 0.37 -3.14 1.70 5.02 -1.26 -0.84 118.16 115.92 1h2i n LYS 133 Ca 0.10 -0.04 -0.40 0.00 -2.02 0.00 0.00 58.31 55.94 1h2i n LYS 133 Cb 0.53 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 34.01 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 -3.23 6.56 0.03 4.39 0.15 -1.26 -4.81 113.70 115.52 1h2i s SER 134 Ca 0.04 0.69 -0.25 0.00 0.70 0.00 0.00 55.95 57.13 1h2i s SER 134 Cb 0.15 -2.32 -0.18 0.00 -1.71 0.00 0.00 66.02 61.96 1h2i s SER 134 CO 0.84 -0.33 1.47 0.50 1.20 0.00 0.00 173.24 176.92 1h2i h LYS 135 N 7.83 -0.07 -0.28 5.44 3.64 -1.98 -1.75 116.57 129.41 1h2i h LYS 135 Ca -0.28 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.16 1h2i h LYS 135 Cb 1.13 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.91 1h2i h LYS 135 CO 0.76 0.19 -0.07 0.00 -2.27 0.00 0.00 179.45 178.06 1h2i h ALA 136 N 0.60 0.18 -0.18 5.00 0.00 -1.99 -0.28 119.26 122.58 1h2i h ALA 136 Ca -0.01 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1h2i h ALA 136 Cb 0.30 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1h2i h ALA 136 CO 0.01 -0.47 -0.11 -0.07 0.00 0.00 0.00 179.25 178.62 1h2i h LEU 137 N -0.00 0.26 0.04 0.00 -0.00 -1.96 -0.63 115.31 113.01 1h2i h LEU 137 Ca 0.13 -0.05 -0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1h2i h LEU 137 Cb 0.21 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 1h2i h LEU 137 CO -0.29 0.40 -0.02 0.28 -0.00 0.00 0.00 178.44 178.82 1h2i h SER 138 N 0.27 -0.05 -0.31 -0.43 0.02 -0.35 -1.89 113.55 110.81 1h2i h SER 138 Ca 0.05 -0.38 0.03 0.00 -0.84 0.00 0.00 61.79 60.65 1h2i h SER 138 Cb 0.36 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1h2i h SER 138 CO 0.02 0.36 0.13 -0.07 -1.14 0.00 0.00 176.83 176.14 1h2i h LEU 139 N -0.46 0.18 -0.55 5.07 -0.00 -0.92 -1.68 115.31 116.95 1h2i h LEU 139 Ca -0.01 0.02 0.06 0.00 -0.00 0.00 0.00 57.88 57.95 1h2i h LEU 139 Cb 0.42 -0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 41.02 1h2i h LEU 139 CO 0.01 0.14 0.26 -0.08 -0.00 0.00 0.00 178.44 178.78 1h2i h GLU 140 N 0.29 0.49 -0.28 1.13 4.81 -1.11 -0.29 114.58 119.61 1h2i h GLU 140 Ca 0.13 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1h2i h GLU 140 Cb 0.07 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1h2i h GLU 140 CO -0.11 0.32 0.10 -0.22 -0.73 0.00 0.00 179.01 178.38 1h2i h LYS 141 N 0.50 0.43 -0.46 1.92 3.64 -0.99 -2.27 116.57 119.34 1h2i h LYS 141 Ca 0.25 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 1h2i h LYS 141 Cb 0.19 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1h2i h LYS 141 CO -0.19 0.47 -0.05 0.00 -2.27 0.00 0.00 179.45 177.41 1h2i h ALA 142 N 0.94 0.63 -0.48 5.00 0.00 -1.04 -1.63 119.26 122.68 1h2i h ALA 142 Ca 0.09 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1h2i h ALA 142 Cb 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1h2i h ALA 142 CO -0.01 0.48 -0.07 0.00 0.00 0.00 0.00 179.25 179.66 1h2i h ARG 143 N 0.70 0.89 -0.25 0.00 3.08 -1.06 -1.84 114.38 115.90 1h2i h ARG 143 Ca 0.13 -0.32 -0.16 0.00 0.07 0.00 0.00 59.98 59.69 1h2i h ARG 143 Cb 0.58 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1h2i h ARG 143 CO 0.03 0.96 -0.50 0.87 -1.07 0.00 0.00 179.97 180.26 1h2i h LYS 144 N 0.73 0.70 -0.19 0.04 1.57 -1.37 -2.97 116.57 115.09 1h2i h LYS 144 Ca 0.13 -0.42 -0.15 0.00 -1.87 0.00 0.00 60.65 58.34 1h2i h LYS 144 Cb 0.60 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1h2i h LYS 144 CO 0.04 1.04 -0.51 0.93 -0.57 0.00 0.00 179.45 180.38 1h2i h GLU 145 N 0.55 0.53 -0.64 3.15 5.08 -1.27 -2.36 114.58 119.62 1h2i h GLU 145 Ca 0.02 -0.31 0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1h2i h GLU 145 Cb 1.06 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.29 1h2i h GLU 145 CO 0.10 0.91 0.37 0.00 -1.00 0.00 0.00 179.01 179.40 1h2i h ALA 146 N 1.03 0.84 -0.08 3.43 0.00 -1.31 0.41 119.26 123.59 1h2i h ALA 146 Ca 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1h2i h ALA 146 Cb 1.03 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1h2i h ALA 146 CO 0.09 0.09 0.03 0.28 0.00 0.00 0.00 179.25 179.74 1h2i h VAL 147 N 0.72 1.17 -0.37 0.00 2.07 -1.35 0.01 116.25 118.50 1h2i h VAL 147 Ca 0.27 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1h2i h VAL 147 Cb 0.10 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1h2i h VAL 147 CO -0.14 0.15 0.10 0.74 0.02 0.00 0.00 177.57 178.44 1h2i h THR 148 N -0.06 1.22 -0.75 2.57 2.02 -1.13 0.12 112.91 116.90 1h2i h THR 148 Ca 0.03 -0.73 0.05 0.00 0.77 0.00 0.00 66.41 66.53 1h2i h THR 148 Cb 0.21 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 1h2i h THR 148 CO -0.00 0.25 0.45 -0.78 0.37 0.00 0.00 175.52 175.81 1h2i h ASP 149 N 0.44 0.71 -0.49 4.18 -0.00 -0.08 0.01 116.42 121.19 1h2i h ASP 149 Ca 0.12 0.02 -0.08 0.00 -0.00 0.00 0.00 57.03 57.08 1h2i h ASP 149 Cb 0.28 -0.13 -0.02 0.00 -0.00 0.00 0.00 39.33 39.46 1h2i h ASP 149 CO -0.00 0.46 -0.00 1.23 -0.00 0.00 0.00 179.24 180.93 1h2i h GLY 150 N 0.84 0.94 0.94 -0.78 0.00 -0.48 -0.98 103.07 103.55 1h2i h GLY 150 Ca 0.32 -0.69 0.02 0.00 0.00 0.00 0.00 47.33 46.98 1h2i h GLY 150 CO -0.16 0.64 0.46 -2.00 0.00 0.00 0.00 176.54 175.47 1h2i h LEU 151 N 0.73 0.77 -0.05 3.11 5.85 -0.29 0.31 115.31 125.74 1h2i h LEU 151 Ca 0.14 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1h2i h LEU 151 Cb 0.52 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 1h2i h LEU 151 CO 0.03 0.55 0.02 0.11 -0.34 0.00 0.00 178.44 178.80 1h2i h LYS 152 N 0.91 0.08 -0.69 1.25 1.57 -0.60 -1.54 116.57 117.54 1h2i h LYS 152 Ca 0.27 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.07 1h2i h LYS 152 Cb -0.05 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.20 1h2i h LYS 152 CO -0.08 0.26 0.42 0.00 -0.57 0.00 0.00 179.45 179.48 1h2i h ARG 153 N -0.11 0.78 -0.27 3.15 3.08 -0.92 -1.18 114.38 118.92 1h2i h ARG 153 Ca 0.02 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1h2i h ARG 153 Cb 0.21 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 1h2i h ARG 153 CO -0.00 0.52 0.11 0.00 -1.07 0.00 0.00 179.97 179.53 1h2i h ALA 154 N 1.31 0.31 -0.82 0.04 0.00 -0.78 -2.75 119.26 116.58 1h2i h ALA 154 Ca 0.29 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1h2i h ALA 154 Cb 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1h2i h ALA 154 CO -0.13 -0.29 0.54 -0.07 0.00 0.00 0.00 179.25 179.30 1h2i h LEU 155 N 0.24 0.95 -1.51 0.00 4.07 -0.72 -2.45 115.31 115.89 1h2i h LEU 155 Ca 0.12 -0.03 0.33 0.00 0.08 0.00 0.00 57.88 58.37 1h2i h LEU 155 Cb 0.06 -0.24 -0.09 0.00 1.08 0.00 0.00 40.66 41.47 1h2i h LEU 155 CO -0.10 0.70 0.77 0.03 -1.08 0.00 0.00 178.44 178.75 1h2i h ARG 156 N 1.12 0.23 -0.12 1.13 3.08 -0.91 -0.58 114.38 118.32 1h2i h ARG 156 Ca 0.30 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.37 1h2i h ARG 156 Cb -0.12 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 1h2i h ARG 156 CO -0.06 0.15 0.25 0.77 -1.07 0.00 0.00 179.97 180.00 1h2i h SER 157 N 0.23 0.00 1.32 7.04 0.02 -1.52 -1.18 113.55 119.46 1h2i h SER 157 Ca 0.65 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.60 1h2i h SER 157 Cb 1.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.50 1h2i h SER 157 CO -0.26 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 175.92 1h2i n PHE 158 N -3.36 0.85 0.00 3.45 3.01 -0.22 -5.01 117.46 116.17 1h2i n PHE 158 Ca 0.00 0.26 0.00 0.00 1.01 0.00 0.00 57.45 58.73 1h2i n PHE 158 Cb 0.34 -0.92 0.00 0.00 -0.01 0.00 0.00 39.48 38.89 1h2i n PHE 158 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1h2i n GLY 159 N 1.10 1.11 0.17 1.37 0.00 -0.45 -4.93 105.19 103.56 1h2i n GLY 159 Ca 0.05 -1.65 -0.08 0.00 0.00 0.00 0.00 46.02 44.34 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 0.45 -0.02 1.61 2.35 -1.54 -1.36 115.58 117.08 1h2i h ASN 160 Ca 0.00 -0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1h2i h ASN 160 Cb 0.00 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 1h2i h ASN 160 CO 0.00 0.36 0.23 0.00 -1.65 0.00 0.00 177.43 176.37 1h2i h ALA 161 N 1.11 1.27 -0.54 -0.83 0.00 0.28 0.23 119.26 120.78 1h2i h ALA 161 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1h2i h ALA 161 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1h2i h ALA 161 CO -0.03 -0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.27 1h2i n LEU 162 N -3.01 3.66 0.00 0.00 7.99 -0.96 -4.93 117.00 119.75 1h2i n LEU 162 Ca -0.02 -2.12 0.00 0.00 -0.01 0.00 0.00 56.01 53.87 1h2i n LEU 162 Cb 0.29 -0.40 0.00 0.00 -0.11 0.00 0.00 43.42 43.20 1h2i n LEU 162 CO 0.16 0.85 0.00 0.61 -1.51 0.00 0.00 177.39 177.50 1h2i n GLY 163 N 1.01 1.05 0.29 -0.72 0.00 0.79 -3.91 105.19 103.70 1h2i n GLY 163 Ca 0.19 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.33 1.61 -0.00 -1.17 -2.48 115.58 113.22 1h2i h ASN 164 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 56.30 56.12 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 0.04 -0.49 0.00 -0.00 0.00 0.00 177.43 176.99 1h2i n ILE 166 N -4.03 0.00 0.10 0.00 0.00 -0.93 0.79 119.36 115.28 1h2i n ILE 166 Ca -0.04 0.78 0.05 0.00 0.00 0.00 0.00 62.75 63.54 1h2i n ILE 166 Cb 0.60 -1.32 0.10 0.00 0.00 0.00 0.00 39.64 39.02 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 -2.88 2.41 -4.56 9.51 -0.00 -1.26 -4.91 117.00 115.31 1h2i n LEU 167 Ca 0.22 -1.56 -0.42 0.00 -0.00 0.00 0.00 56.01 54.25 1h2i n LEU 167 Cb 1.04 -0.12 -0.03 0.00 -0.00 0.00 0.00 43.42 44.31 1h2i n LEU 167 CO 0.22 0.56 1.13 -0.62 -0.00 0.00 0.00 177.39 178.67 1h2i s ASP 168 N -0.94 6.29 0.48 1.45 3.68 0.24 -4.92 116.67 122.95 1h2i s ASP 168 Ca 0.17 -0.19 0.28 0.00 2.13 0.00 0.00 52.55 54.94 1h2i s ASP 168 Cb 0.10 -2.56 1.35 0.00 -1.45 0.00 0.00 42.92 40.37 1h2i s ASP 168 CO 0.14 -1.67 1.80 0.11 0.13 0.00 0.00 175.17 175.68 1h2i h LYS 169 N 9.80 0.16 0.00 4.34 1.57 -1.91 0.52 116.57 131.06 1h2i h LYS 169 Ca -0.27 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.38 1h2i h LYS 169 Cb 1.05 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 1h2i h LYS 169 CO 1.24 0.11 -0.60 -0.44 -0.57 0.00 0.00 179.45 179.18 1h2i h ASP 170 N 0.17 0.00 -0.03 0.86 3.32 -1.96 -0.81 116.42 117.96 1h2i h ASP 170 Ca 0.55 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.51 1h2i h ASP 170 Cb 1.86 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.41 1h2i h ASP 170 CO -0.13 0.60 -0.34 0.22 -1.72 0.00 0.00 179.24 177.87 1h2i h TYR 171 N 0.00 0.40 -0.23 4.55 3.20 -1.27 -2.52 116.97 121.10 1h2i h TYR 171 Ca -0.01 -0.20 0.03 0.00 3.14 0.00 0.00 58.73 61.70 1h2i h TYR 171 Cb 1.10 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 1h2i h TYR 171 CO 0.00 0.96 0.03 -0.07 -1.64 0.00 0.00 178.16 177.44 1h2i h LEU 172 N -0.27 -0.02 -0.01 2.82 3.38 -1.24 -1.14 115.31 118.82 1h2i h LEU 172 Ca -0.03 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1h2i h LEU 172 Cb 1.03 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 1h2i h LEU 172 CO 0.07 0.02 -0.25 -0.09 0.09 0.00 0.00 178.44 178.28 1h2i h ARG 173 N 0.11 -0.37 0.00 1.13 2.43 -1.20 -0.48 114.38 116.00 1h2i h ARG 173 Ca 0.10 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1h2i h ARG 173 Cb 0.11 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1h2i h ARG 173 CO -0.15 -0.25 0.00 -1.13 -1.51 0.00 0.00 179.97 176.93 1h2i n SER 174 N -5.37 0.00 0.10 -3.80 3.41 -0.95 -2.13 113.62 104.87 1h2i n SER 174 Ca -0.05 0.17 -0.21 0.00 -0.26 0.00 0.00 58.87 58.52 1h2i n SER 174 Cb 0.28 -0.34 -0.15 0.00 -0.26 0.00 0.00 64.21 63.74 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 0.59 -1.47 1.04 3.38 0.18 -3.30 115.31 115.73 1h2i h LEU 175 Ca 0.00 -0.74 -0.04 0.00 0.09 0.00 0.00 57.88 57.19 1h2i h LEU 175 Cb 0.20 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1h2i h LEU 175 CO 0.00 1.60 -0.08 0.78 0.09 0.00 0.00 178.44 180.84 1h2i h ASN 176 N 0.10 0.24 0.00 -0.43 2.35 -0.84 -2.99 115.58 114.01 1h2i h ASN 176 Ca -0.26 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1h2i h ASN 176 Cb 2.08 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 40.39 1h2i h ASN 176 CO 0.20 0.35 0.00 0.29 -1.65 0.00 0.00 177.43 176.62 1h2i n LYS 177 N -4.32 0.82 -4.52 0.81 5.02 -1.17 -4.79 118.16 110.01 1h2i n LYS 177 Ca -0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 1h2i n LYS 177 Cb 0.23 -1.09 -0.09 0.00 -0.02 0.00 0.00 35.03 34.06 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 2.17 0.45 -0.35 1.43 -1.13 -5.07 118.68 116.18 1h2i s LEU 178 Ca 0.00 -1.52 -0.12 0.00 -1.03 0.00 0.00 54.13 51.46 1h2i s LEU 178 Cb 0.00 -0.36 -0.07 0.00 0.03 0.00 0.00 46.19 45.80 1h2i s LEU 178 CO 0.00 -0.75 0.85 -2.84 0.23 0.00 0.00 176.35 173.84 1h2i s PRO 179 N -3.81 3.81 1.10 1.29 0.02 -1.26 -5.05 135.00 131.09 1h2i s PRO 179 Ca 0.28 0.62 -0.16 0.00 0.02 0.00 0.00 61.00 61.76 1h2i s PRO 179 Cb 0.06 -2.30 0.20 0.00 0.02 0.00 0.00 34.50 32.48 1h2i s PRO 179 CO 0.14 -0.14 0.39 0.54 -0.33 0.00 0.00 177.00 177.60 1h2i n ARG 180 N -1.49 -2.63 -3.18 5.54 1.74 -1.26 -5.01 116.66 110.37 1h2i n ARG 180 Ca 0.04 -0.78 0.02 0.00 -0.77 0.00 0.00 57.85 56.36 1h2i n ARG 180 Cb 0.54 -1.58 -0.02 0.00 -1.02 0.00 0.00 32.46 30.38 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 -3.74 0.53 -0.06 5.56 1.03 -1.26 -5.12 119.66 116.60 1h2i s GLN 181 Ca 0.44 0.74 -0.29 0.00 0.04 0.00 0.00 55.36 56.28 1h2i s GLN 181 Cb -0.08 0.28 -0.07 0.00 0.03 0.00 0.00 33.01 33.17 1h2i s GLN 181 CO 0.41 -0.80 2.02 -0.48 -2.54 0.00 0.00 175.29 173.91 1h2i s LEU 182 N 2.79 4.08 -0.48 2.60 2.34 -1.26 -4.76 118.68 123.99 1h2i s LEU 182 Ca 0.16 2.36 -0.07 0.00 0.06 0.00 0.00 54.13 56.64 1h2i s LEU 182 Cb -0.13 -3.52 -0.15 0.00 -0.56 0.00 0.00 46.19 41.83 1h2i s LEU 182 CO -0.23 -1.36 1.57 -2.65 -1.06 0.00 0.00 176.35 172.63 1h2i n PRO 183 N 7.93 0.04 -0.54 1.48 -0.02 -1.26 -4.75 135.00 137.88 1h2i n PRO 183 Ca 0.23 -0.18 -0.18 0.00 -2.02 0.00 0.00 63.50 61.35 1h2i n PRO 183 Cb 0.43 -1.38 0.01 0.00 -0.02 0.00 0.00 33.50 32.53 1h2i n PRO 183 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1h2i n LEU 184 N 6.88 -2.18 -4.79 2.45 0.00 -1.26 -4.87 117.00 113.23 1h2i n LEU 184 Ca 0.30 0.22 -0.39 0.00 0.00 0.00 0.00 56.01 56.14 1h2i n LEU 184 Cb 0.37 -0.38 -0.06 0.00 0.00 0.00 0.00 43.42 43.35 1h2i n LEU 184 CO 0.72 -2.49 0.29 -1.61 0.00 0.00 0.00 177.39 174.30 1h2i s GLU 185 N -0.66 4.26 -0.06 1.96 0.41 -1.26 -5.05 118.70 118.30 1h2i s GLU 185 Ca 0.24 0.76 -0.26 0.00 -0.41 0.00 0.00 54.97 55.29 1h2i s GLU 185 Cb -0.17 -3.28 -0.03 0.00 -1.78 0.00 0.00 34.13 28.87 1h2i s GLU 185 CO 0.34 0.53 0.84 0.08 -0.49 0.00 0.00 175.26 176.56 1h2i s VAL 186 N -0.76 4.94 -0.73 2.63 1.01 -1.26 -5.01 120.40 121.21 1h2i s VAL 186 Ca 0.30 1.73 -0.18 0.00 0.00 0.00 0.00 61.98 63.83 1h2i s VAL 186 Cb -0.19 -4.17 0.14 0.00 0.00 0.00 0.00 36.38 32.15 1h2i s VAL 186 CO 0.19 0.17 0.84 -0.62 0.00 0.00 0.00 175.10 175.67 1h2i s ASP 187 N 0.95 6.43 0.00 3.32 3.68 -1.26 -4.93 116.67 124.86 1h2i s ASP 187 Ca 0.43 -1.86 0.00 0.00 2.13 0.00 0.00 52.55 53.26 1h2i s ASP 187 Cb -0.19 -2.31 0.00 0.00 -1.45 0.00 0.00 42.92 38.97 1h2i s ASP 187 CO 0.21 -1.00 1.12 0.18 0.13 0.00 0.00 175.17 175.81 1h2i n LEU 188 N 5.92 3.27 0.50 -1.34 4.77 -1.26 -4.51 117.00 124.34 1h2i n LEU 188 Ca 0.05 -1.60 -0.20 0.00 -0.03 0.00 0.00 56.01 54.23 1h2i n LEU 188 Cb 0.45 -0.58 -0.10 0.00 -2.33 0.00 0.00 43.42 40.87 1h2i n LEU 188 CO 0.51 0.56 0.54 0.74 -1.33 0.00 0.00 177.39 178.41 1h2i h THR 189 N 0.17 0.05 -0.96 -5.08 2.02 -2.04 -3.15 112.91 103.91 1h2i h THR 189 Ca 0.00 -0.03 -0.62 0.00 0.77 0.00 0.00 66.41 66.53 1h2i h THR 189 Cb 0.98 0.06 -0.28 0.00 -1.74 0.00 0.00 68.15 67.16 1h2i h THR 189 CO 0.00 0.00 0.80 0.29 0.37 0.00 0.00 175.52 176.98 1h2i n LYS 190 N -5.62 2.53 -2.20 6.66 5.02 -1.26 -4.98 118.16 118.31 1h2i n LYS 190 Ca -0.16 -3.11 -0.38 0.00 -2.02 0.00 0.00 58.31 52.64 1h2i n LYS 190 Cb 0.50 -2.22 -0.01 0.00 -0.02 0.00 0.00 35.03 33.28 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 -3.57 3.13 0.22 7.82 0.00 -1.19 -4.96 121.76 123.20 1h2i s ALA 191 Ca 0.61 1.05 -0.30 0.00 0.00 0.00 0.00 51.96 53.31 1h2i s ALA 191 Cb 0.48 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 20.09 1h2i s ALA 191 CO 0.02 -0.67 1.36 0.21 0.00 0.00 0.00 175.76 176.67 1h2i s LYS 192 N -2.38 4.35 0.00 0.00 2.20 -1.26 -4.90 119.74 117.74 1h2i s LYS 192 Ca 0.59 2.15 0.00 0.00 -0.36 0.00 0.00 55.97 58.35 1h2i s LYS 192 Cb -0.33 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 1h2i s LYS 192 CO 0.41 -0.31 0.00 0.54 -0.36 0.00 0.00 175.35 175.63 1h2i n ARG 193 N 2.46 2.69 -3.79 4.03 1.74 -1.26 -5.08 116.66 117.44 1h2i n ARG 193 Ca 0.06 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.90 1h2i n ARG 193 Cb 0.42 -0.72 -0.02 0.00 -1.02 0.00 0.00 32.46 31.12 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 -1.11 2.33 0.00 5.56 -0.21 -1.26 -5.08 119.66 119.88 1h2i s GLN 194 Ca 0.00 -1.86 0.00 0.00 0.02 0.00 0.00 55.36 53.52 1h2i s GLN 194 Cb 0.00 -2.18 0.00 0.00 1.00 0.00 0.00 33.01 31.83 1h2i s GLN 194 CO 0.00 -0.46 0.00 -0.25 -2.12 0.00 0.00 175.29 172.46 1h2i n ASP 195 N -1.67 0.00 -1.57 5.90 10.43 -1.26 -4.98 116.55 123.40 1h2i n ASP 195 Ca 0.01 0.09 -0.20 0.00 2.57 0.00 0.00 54.79 57.25 1h2i n ASP 195 Cb 0.64 -0.27 -0.03 0.00 1.84 0.00 0.00 41.12 43.30 1h2i n ASP 195 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 1h2i n LEU 196 N -1.81 -0.02 -3.89 0.64 -0.00 -1.26 -4.93 117.00 105.73 1h2i n LEU 196 Ca 0.00 0.41 -0.30 0.00 -0.00 0.00 0.00 56.01 56.11 1h2i n LEU 196 Cb 0.00 -0.32 -0.14 0.00 -0.00 0.00 0.00 43.42 42.95 1h2i n LEU 196 CO 0.00 -0.69 -0.26 -1.61 -0.00 0.00 0.00 177.39 174.83 1h2i s GLU 197 N -0.02 1.48 0.22 1.96 0.41 -1.26 -5.03 118.70 116.47 1h2i s GLU 197 Ca 0.31 -2.03 -0.11 0.00 -0.41 0.00 0.00 54.97 52.74 1h2i s GLU 197 Cb -0.44 -2.87 0.31 0.00 -1.78 0.00 0.00 34.13 29.35 1h2i s GLU 197 CO 0.20 -1.05 1.65 -1.35 -0.49 0.00 0.00 175.26 174.22 1h2i h PRO 198 N 7.13 0.10 -0.13 0.39 0.11 -1.97 0.12 132.00 137.75 1h2i h PRO 198 Ca -0.06 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.88 1h2i h PRO 198 Cb 0.96 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.05 1h2i h PRO 198 CO 0.56 0.06 -0.56 0.66 -0.21 0.00 0.00 178.00 178.51 1h2i h SER 199 N 0.10 0.71 -0.47 -2.05 4.64 -1.98 0.18 113.55 114.68 1h2i h SER 199 Ca 0.33 -0.63 0.08 0.00 -0.47 0.00 0.00 61.79 61.10 1h2i h SER 199 Cb 0.55 -0.21 -0.07 0.00 -0.31 0.00 0.00 62.40 62.36 1h2i h SER 199 CO -0.56 1.22 0.08 0.58 -0.87 0.00 0.00 176.83 177.28 1h2i h VAL 200 N 0.24 0.73 0.00 0.95 2.07 -1.95 0.98 116.25 119.28 1h2i h VAL 200 Ca -0.03 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 1h2i h VAL 200 Cb 1.20 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1h2i h VAL 200 CO 0.12 0.04 -0.51 -0.08 0.02 0.00 0.00 177.57 177.15 1h2i h GLU 201 N 0.21 0.00 -0.10 1.57 4.57 -0.66 -0.28 114.58 119.90 1h2i h GLU 201 Ca 0.23 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.33 1h2i h GLU 201 Cb 0.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1h2i h GLU 201 CO -0.31 0.51 -0.26 1.49 -1.18 0.00 0.00 179.01 179.26 1h2i h GLU 202 N 0.00 0.35 -0.68 1.92 4.81 0.64 -2.57 114.58 119.06 1h2i h GLU 202 Ca -0.01 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 58.95 1h2i h GLU 202 Cb 0.91 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 1h2i h GLU 202 CO 0.07 0.86 0.28 0.00 -0.73 0.00 0.00 179.01 179.49 1h2i h ALA 203 N 0.49 1.23 0.00 2.92 0.00 -0.75 -1.45 119.26 121.70 1h2i h ALA 203 Ca -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1h2i h ALA 203 Cb 0.87 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1h2i h ALA 203 CO 0.06 0.57 -0.14 -0.09 0.00 0.00 0.00 179.25 179.65 1h2i h ARG 204 N 0.97 0.00 0.05 0.00 2.43 -0.98 -1.00 114.38 115.85 1h2i h ARG 204 Ca 0.23 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 59.15 1h2i h ARG 204 Cb 0.17 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1h2i h ARG 204 CO -0.02 0.14 -1.22 -0.92 -1.51 0.00 0.00 179.97 176.44 1h2i h TYR 205 N 0.00 0.18 0.00 2.20 3.20 -0.87 -3.31 116.97 118.37 1h2i h TYR 205 Ca -0.00 -0.13 -0.00 0.00 3.14 0.00 0.00 58.73 61.73 1h2i h TYR 205 Cb 0.27 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 1h2i h TYR 205 CO 0.00 1.12 -0.02 -0.91 -1.64 0.00 0.00 178.16 176.71 1h2i h ASN 206 N 0.03 0.00 -0.21 -2.11 2.35 -0.80 -3.33 115.58 111.51 1h2i h ASN 206 Ca -0.11 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.52 1h2i h ASN 206 Cb 1.88 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.25 1h2i h ASN 206 CO 0.15 0.02 -0.35 0.77 -1.65 0.00 0.00 177.43 176.37 1h2i h SER 207 N 0.00 0.67 0.00 5.81 4.64 -1.28 -2.96 113.55 120.43 1h2i h SER 207 Ca -0.00 -0.53 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1h2i h SER 207 Cb 1.01 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1h2i h SER 207 CO 0.00 1.07 0.00 0.00 -0.87 0.00 0.00 176.83 177.04