#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 -3.08 2.47 0.00 0.00 7.35 -1.26 -1.69 117.46 121.25 1h2i n PHE 26 Ca 0.10 0.33 0.00 0.00 -0.76 0.00 0.00 57.45 57.12 1h2i n PHE 26 Cb 0.34 -2.53 0.00 0.00 0.35 0.00 0.00 39.48 37.64 1h2i n PHE 26 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1h2i n GLY 27 N 2.34 1.12 0.00 7.13 0.00 0.03 -4.85 105.19 110.96 1h2i n GLY 27 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1h2i n GLY 27 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h2i n GLN 28 N -2.00 2.33 -1.90 1.61 6.02 -0.68 -4.04 117.38 118.72 1h2i n GLN 28 Ca 0.00 -1.29 -0.30 0.00 -0.01 0.00 0.00 57.00 55.40 1h2i n GLN 28 Cb 0.00 -0.92 0.05 0.00 1.02 0.00 0.00 30.24 30.39 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 -5.35 1.14 0.29 0.00 0.74 -1.26 -4.28 119.66 110.94 1h2i s GLN 30 Ca 0.58 -0.42 -0.29 0.00 0.05 0.00 0.00 55.36 55.28 1h2i s GLN 30 Cb -0.11 -1.06 -0.10 0.00 1.10 0.00 0.00 33.01 32.84 1h2i s GLN 30 CO 0.52 0.20 1.21 0.71 -0.55 0.00 0.00 175.29 177.38 1h2i s TYR 31 N -0.03 3.32 0.56 1.67 1.51 -1.26 -5.00 117.35 118.12 1h2i s TYR 31 Ca -0.00 1.52 -0.17 0.00 -1.01 0.00 0.00 57.07 57.41 1h2i s TYR 31 Cb -0.08 -3.49 -0.05 0.00 -0.11 0.00 0.00 41.96 38.23 1h2i s TYR 31 CO 0.00 -1.26 1.04 0.95 -1.11 0.00 0.00 175.55 175.18 1h2i s THR 32 N -0.94 3.95 0.30 -0.71 -4.23 -1.26 -4.80 115.64 107.94 1h2i s THR 32 Ca 0.48 0.97 0.05 0.00 -1.18 0.00 0.00 61.69 62.01 1h2i s THR 32 Cb -0.36 -3.46 0.29 0.00 1.34 0.00 0.00 72.50 70.32 1h2i s THR 32 CO 0.45 -0.49 1.77 0.00 -0.54 0.00 0.00 174.62 175.81 1h2i h ALA 33 N 0.73 1.62 -0.16 3.99 0.00 -1.99 -0.01 119.26 123.43 1h2i h ALA 33 Ca -0.47 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1h2i h ALA 33 Cb 1.21 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1h2i h ALA 33 CO 0.58 -0.05 0.04 1.49 0.00 0.00 0.00 179.25 181.31 1h2i h GLU 34 N 0.75 0.25 -0.41 0.00 4.81 -2.00 -0.89 114.58 117.10 1h2i h GLU 34 Ca 0.56 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.64 1h2i h GLU 34 Cb 0.87 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 1h2i h GLU 34 CO -0.38 0.40 -0.13 1.49 -0.73 0.00 0.00 179.01 179.66 1h2i h GLU 35 N 0.06 0.81 -0.11 1.92 4.81 -1.76 -1.85 114.58 118.45 1h2i h GLU 35 Ca 0.05 -0.32 0.04 0.00 -0.13 0.00 0.00 59.36 58.99 1h2i h GLU 35 Cb 0.26 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1h2i h GLU 35 CO 0.00 0.95 -0.14 -0.92 -0.73 0.00 0.00 179.01 178.17 1h2i h TYR 36 N 0.62 -0.35 -0.58 0.92 3.20 -0.95 -1.02 116.97 118.81 1h2i h TYR 36 Ca 0.10 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.00 1h2i h TYR 36 Cb 0.67 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.08 1h2i h TYR 36 CO 0.05 -0.21 0.38 0.37 -1.64 0.00 0.00 178.16 177.11 1h2i h GLN 37 N -0.18 0.74 -0.49 1.82 4.15 -1.06 0.69 115.11 120.79 1h2i h GLN 37 Ca 0.09 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 1h2i h GLN 37 Cb 0.30 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 1h2i h GLN 37 CO -0.22 0.49 0.29 0.00 -1.93 0.00 0.00 178.83 177.46 1h2i h ALA 38 N 1.23 0.63 -0.39 3.38 0.00 -1.05 -2.49 119.26 120.56 1h2i h ALA 38 Ca 0.22 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1h2i h ALA 38 Cb -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1h2i h ALA 38 CO -0.06 0.13 -0.26 0.82 0.00 0.00 0.00 179.25 179.88 1h2i h ILE 39 N 0.65 1.28 -0.49 0.00 2.04 -0.85 -0.26 117.51 119.87 1h2i h ILE 39 Ca 0.18 -1.41 0.08 0.00 1.00 0.00 0.00 64.86 64.70 1h2i h ILE 39 Cb 0.02 1.33 -0.07 0.00 -0.74 0.00 0.00 36.82 37.36 1h2i h ILE 39 CO -0.03 0.47 0.12 1.56 0.00 0.00 0.00 178.15 180.27 1h2i h GLN 40 N 0.68 0.26 0.10 2.37 1.08 -0.73 0.18 115.11 119.05 1h2i h GLN 40 Ca 0.08 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1h2i h GLN 40 Cb 0.83 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1h2i h GLN 40 CO 0.07 0.17 -0.05 0.87 -0.95 0.00 0.00 178.83 178.94 1h2i h LYS 41 N 0.27 -0.13 -0.76 1.46 1.57 -1.36 -3.18 116.57 114.43 1h2i h LYS 41 Ca 0.25 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.15 1h2i h LYS 41 Cb 0.31 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 1h2i h LYS 41 CO -0.30 0.19 0.50 0.00 -0.57 0.00 0.00 179.45 179.27 1h2i h ALA 42 N 0.39 1.91 0.00 3.86 0.00 -0.62 -1.98 119.26 122.81 1h2i h ALA 42 Ca -0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1h2i h ALA 42 Cb 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1h2i h ALA 42 CO 0.02 -0.09 -0.17 -0.07 0.00 0.00 0.00 179.25 178.95 1h2i h LEU 43 N 0.59 0.00 -1.40 0.00 3.38 -0.95 -2.96 115.31 113.97 1h2i h LEU 43 Ca 0.36 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.28 1h2i h LEU 43 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1h2i h LEU 43 CO -0.13 0.17 -0.23 0.03 0.09 0.00 0.00 178.44 178.36 1h2i h ARG 44 N 0.00 0.10 -6.65 1.13 3.08 -1.39 0.24 114.38 110.89 1h2i h ARG 44 Ca -0.00 -0.03 -0.58 0.00 0.07 0.00 0.00 59.98 59.44 1h2i h ARG 44 Cb 0.35 -0.01 0.13 0.00 0.08 0.00 0.00 29.97 30.51 1h2i h ARG 44 CO 0.02 0.33 0.18 1.04 -1.07 0.00 0.00 179.97 180.48 1h2i n GLN 45 N -4.22 1.38 -3.39 0.04 6.02 -1.12 -4.58 117.38 111.51 1h2i n GLN 45 Ca -0.02 0.50 -0.27 0.00 -0.01 0.00 0.00 57.00 57.20 1h2i n GLN 45 Cb 0.31 -2.06 -0.02 0.00 1.02 0.00 0.00 30.24 29.49 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 -2.01 3.57 0.10 -1.09 1.81 -1.26 -1.25 118.95 118.81 1h2i s ARG 46 Ca 0.63 -0.15 -0.05 0.00 -1.72 0.00 0.00 55.73 54.44 1h2i s ARG 46 Cb -0.56 -2.67 -0.05 0.00 -0.45 0.00 0.00 34.95 31.21 1h2i s ARG 46 CO 0.57 0.21 0.34 -0.48 -0.68 0.00 0.00 175.30 175.27 1h2i s LEU 47 N -3.78 4.31 1.23 2.53 2.34 -1.26 -4.93 118.68 119.12 1h2i s LEU 47 Ca 0.42 0.58 -0.19 0.00 0.06 0.00 0.00 54.13 55.01 1h2i s LEU 47 Cb -0.10 -3.11 0.29 0.00 -0.56 0.00 0.00 46.19 42.71 1h2i s LEU 47 CO 0.32 0.12 1.06 -0.83 -1.06 0.00 0.00 176.35 175.96 1h2i s GLY 48 N -2.20 1.54 0.57 -3.48 0.00 -1.26 -4.90 107.32 97.59 1h2i s GLY 48 Ca 0.37 -0.78 0.32 0.00 0.00 0.00 0.00 44.72 44.63 1h2i s GLY 48 CO 0.22 0.09 2.17 -2.55 0.00 0.00 0.00 173.10 173.04 1h2i h PRO 49 N -2.71 0.00 0.00 2.90 0.11 -1.96 -2.42 132.00 127.92 1h2i h PRO 49 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1h2i h PRO 49 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1h2i h PRO 49 CO 0.37 0.05 0.00 -0.85 -0.21 0.00 0.00 178.00 177.37 1h2i n GLU 50 N -3.52 0.11 -0.09 1.05 0.00 -1.26 -2.40 120.64 114.54 1h2i n GLU 50 Ca -0.02 0.21 -0.08 0.00 0.00 0.00 0.00 57.16 57.27 1h2i n GLU 50 Cb 0.17 -1.50 -0.15 0.00 0.00 0.00 0.00 31.44 29.97 1h2i n GLU 50 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1h2i n TYR 51 N -1.36 0.00 -2.96 -1.84 4.02 -0.91 -4.98 117.16 109.12 1h2i n TYR 51 Ca 0.05 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.54 1h2i n TYR 51 Cb 0.11 -0.88 -0.05 0.00 -0.02 0.00 0.00 39.34 38.51 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 -2.51 4.81 0.31 -0.72 -1.09 -1.01 -4.43 121.20 116.56 1h2i s ILE 52 Ca -0.09 1.64 0.03 0.00 -2.23 0.00 0.00 60.65 60.00 1h2i s ILE 52 Cb 0.06 -4.12 -0.05 0.00 -1.58 0.00 0.00 42.46 36.76 1h2i s ILE 52 CO 0.76 0.32 0.08 -0.94 -1.23 0.00 0.00 174.94 173.93 1h2i s SER 53 N 0.25 2.04 0.12 3.58 1.04 -0.23 -4.98 113.70 115.51 1h2i s SER 53 Ca 0.40 -1.42 -0.08 0.00 0.48 0.00 0.00 55.95 55.33 1h2i s SER 53 Cb -0.20 0.07 -0.01 0.00 0.10 0.00 0.00 66.02 65.98 1h2i s SER 53 CO 0.22 -0.69 0.20 -0.94 0.98 0.00 0.00 173.24 173.02 1h2i s SER 54 N -3.45 0.12 0.19 7.02 1.04 -1.26 -1.16 113.70 116.21 1h2i s SER 54 Ca 0.35 -0.78 -0.02 0.00 0.48 0.00 0.00 55.95 55.99 1h2i s SER 54 Cb 0.08 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 1h2i s SER 54 CO 0.15 -0.78 0.14 0.00 0.98 0.00 0.00 173.24 173.73 1h2i s ARG 55 N -3.91 1.18 -0.25 4.02 1.70 -0.62 -4.96 118.95 116.11 1h2i s ARG 55 Ca 0.10 -1.58 -0.16 0.00 -0.47 0.00 0.00 55.73 53.63 1h2i s ARG 55 Cb 0.05 0.28 -0.03 0.00 -0.57 0.00 0.00 34.95 34.67 1h2i s ARG 55 CO -0.06 -0.38 0.42 -1.64 -1.08 0.00 0.00 175.30 172.55 1h2i s MET 56 N -4.14 4.07 0.75 3.89 -1.94 -1.26 -1.28 119.30 119.39 1h2i s MET 56 Ca 0.36 0.16 -0.11 0.00 -1.71 0.00 0.00 55.69 54.38 1h2i s MET 56 Cb 0.07 -3.62 0.04 0.00 2.01 0.00 0.00 34.83 33.32 1h2i s MET 56 CO 0.10 -0.24 1.09 0.00 -0.01 0.00 0.00 175.02 175.97 1h2i s ALA 57 N 1.94 2.54 0.35 3.03 0.00 0.67 -4.89 121.76 125.40 1h2i s ALA 57 Ca 0.18 -0.22 0.05 0.00 0.00 0.00 0.00 51.96 51.97 1h2i s ALA 57 Cb -0.15 -3.09 0.70 0.00 0.00 0.00 0.00 23.12 20.58 1h2i s ALA 57 CO 0.09 -1.44 1.94 0.78 0.00 0.00 0.00 175.76 177.13 1h2i h GLY 58 N -0.88 1.06 -1.02 0.00 0.00 -1.98 -0.78 103.07 99.48 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 0.61 0.23 0.00 0.61 0.00 0.00 0.00 176.54 177.99 1h2i n GLY 59 N -1.44 0.89 3.55 4.60 0.00 -1.26 -4.74 105.19 106.80 1h2i n GLY 59 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 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 0.21 -0.53 3.06 -0.02 0.00 -0.30 -4.98 105.19 102.63 1h2i n GLY 60 Ca 0.00 0.21 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 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 -6.26 1.12 0.32 1.61 -2.07 -1.22 -4.90 119.66 108.26 1h2i s GLN 61 Ca 0.54 -0.42 -0.29 0.00 -1.82 0.00 0.00 55.36 53.38 1h2i s GLN 61 Cb -0.25 -1.04 -0.12 0.00 -1.09 0.00 0.00 33.01 30.51 1h2i s GLN 61 CO 0.67 0.20 1.49 1.17 -1.32 0.00 0.00 175.29 177.50 1h2i n LYS 62 N 3.04 2.52 -3.88 9.60 4.81 -1.26 -0.24 118.16 132.76 1h2i n LYS 62 Ca -0.16 0.89 -0.26 0.00 -0.87 0.00 0.00 58.31 57.91 1h2i n LYS 62 Cb 0.55 -2.61 -0.17 0.00 0.02 0.00 0.00 35.03 32.82 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 -0.55 0.89 0.21 3.15 1.01 -0.41 -4.85 120.40 119.86 1h2i s VAL 63 Ca 0.60 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.23 1h2i s VAL 63 Cb -0.52 -0.95 -0.07 0.00 0.00 0.00 0.00 36.38 34.83 1h2i s VAL 63 CO 0.56 0.33 0.58 0.00 0.00 0.00 0.00 175.10 176.57 1h2i s TYR 65 N -1.69 -0.17 -0.05 0.00 -0.85 -0.31 -4.99 117.35 109.29 1h2i s TYR 65 Ca 0.44 -0.15 0.03 0.00 -0.52 0.00 0.00 57.07 56.87 1h2i s TYR 65 Cb -0.13 0.64 -0.03 0.00 0.38 0.00 0.00 41.96 42.83 1h2i s TYR 65 CO 0.20 -0.89 -0.11 0.42 -1.52 0.00 0.00 175.55 173.64 1h2i s ILE 66 N -3.43 3.34 0.26 -3.49 1.01 -1.26 -1.07 121.20 116.57 1h2i s ILE 66 Ca 0.11 -0.67 -0.29 0.00 0.00 0.00 0.00 60.65 59.80 1h2i s ILE 66 Cb -0.02 -2.35 -0.09 0.00 0.01 0.00 0.00 42.46 40.00 1h2i s ILE 66 CO 0.02 0.56 0.98 -1.61 0.00 0.00 0.00 174.94 174.89 1h2i s GLU 67 N -0.87 4.76 0.31 2.79 2.02 -1.26 -4.93 118.70 121.51 1h2i s GLU 67 Ca 0.13 1.56 0.07 0.00 0.02 0.00 0.00 54.97 56.74 1h2i s GLU 67 Cb -0.11 -3.19 0.84 0.00 0.10 0.00 0.00 34.13 31.77 1h2i s GLU 67 CO 0.02 0.40 1.69 0.78 0.02 0.00 0.00 175.26 178.17 1h2i h GLY 68 N 3.93 1.71 2.00 -1.39 0.00 -1.99 0.11 103.07 107.45 1h2i h GLY 68 Ca -0.46 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 46.62 1h2i h GLY 68 CO 0.67 -0.32 -0.24 1.12 0.00 0.00 0.00 176.54 177.77 1h2i h HIS 69 N 0.40 0.00 -0.04 5.60 2.07 -2.00 -0.12 115.15 121.06 1h2i h HIS 69 Ca 0.62 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 57.92 1h2i h HIS 69 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 1h2i h HIS 69 CO -0.10 0.24 -0.86 0.00 -3.07 0.00 0.00 177.93 174.14 1h2i h ARG 70 N 0.00 0.47 -0.56 5.12 3.08 -1.17 -2.59 114.38 118.72 1h2i h ARG 70 Ca -0.00 -0.45 -0.07 0.00 0.07 0.00 0.00 59.98 59.52 1h2i h ARG 70 Cb 0.53 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 1h2i h ARG 70 CO 0.03 1.10 0.07 0.28 -1.07 0.00 0.00 179.97 180.38 1h2i h VAL 71 N 0.29 1.26 -0.60 2.04 2.07 -0.88 0.41 116.25 120.85 1h2i h VAL 71 Ca -0.06 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1h2i h VAL 71 Cb 1.48 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 1h2i h VAL 71 CO 0.15 0.36 0.39 0.40 0.02 0.00 0.00 177.57 178.90 1h2i h ILE 72 N 0.84 1.16 -0.12 4.57 2.04 -1.00 0.03 117.51 125.02 1h2i h ILE 72 Ca 0.17 -0.31 -0.12 0.00 1.00 0.00 0.00 64.86 65.60 1h2i h ILE 72 Cb 0.44 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1h2i h ILE 72 CO 0.01 0.16 -0.45 0.78 0.00 0.00 0.00 178.15 178.65 1h2i h ASN 73 N 0.81 0.31 -0.13 1.72 2.35 -1.15 -0.27 115.58 119.22 1h2i h ASN 73 Ca 0.22 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1h2i h ASN 73 Cb -0.08 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1h2i h ASN 73 CO -0.05 0.73 0.07 -0.07 -1.65 0.00 0.00 177.43 176.46 1h2i h LEU 74 N 0.24 0.16 -0.46 1.61 3.38 -0.35 -0.74 115.31 119.15 1h2i h LEU 74 Ca 0.02 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1h2i h LEU 74 Cb 0.90 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1h2i h LEU 74 CO 0.07 0.21 0.30 0.00 0.09 0.00 0.00 178.44 179.12 1h2i h ALA 75 N 0.95 0.59 -0.73 1.53 0.00 -0.68 0.21 119.26 121.12 1h2i h ALA 75 Ca 0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1h2i h ALA 75 Cb 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1h2i h ALA 75 CO -0.01 0.05 0.32 -0.91 0.00 0.00 0.00 179.25 178.70 1h2i h ASN 76 N 0.62 0.97 0.68 0.00 2.35 -0.85 0.44 115.58 119.79 1h2i h ASN 76 Ca 0.17 -0.13 -0.20 0.00 -0.55 0.00 0.00 56.30 55.60 1h2i h ASN 76 Cb -0.06 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.05 1h2i h ASN 76 CO -0.04 0.85 -0.89 -0.33 -1.65 0.00 0.00 177.43 175.37 1h2i h GLU 77 N 1.05 0.13 -0.11 0.81 4.39 -0.85 0.48 114.58 120.48 1h2i h GLU 77 Ca 0.25 -0.15 -0.17 0.00 0.34 0.00 0.00 59.36 59.63 1h2i h GLU 77 Cb 0.16 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1h2i h GLU 77 CO -0.03 0.93 -0.58 1.98 -1.16 0.00 0.00 179.01 180.15 1h2i h MET 78 N 0.07 0.59 -0.00 2.33 4.05 -0.12 -3.38 114.93 118.47 1h2i h MET 78 Ca -0.04 -0.49 0.00 0.00 -0.28 0.00 0.00 59.70 58.89 1h2i h MET 78 Cb 1.53 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 32.44 1h2i h MET 78 CO 0.13 1.11 -0.28 1.19 0.23 0.00 0.00 176.91 179.29 1h2i n PHE 79 N -4.15 0.00 0.00 1.39 3.72 0.10 -4.97 117.46 113.55 1h2i n PHE 79 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1h2i n PHE 79 Cb 0.64 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 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 1.06 0.67 0.34 1.37 0.00 0.17 -3.24 105.19 105.56 1h2i n GLY 80 Ca 0.02 -1.57 0.17 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.34 1.61 -0.00 -1.89 0.24 116.97 116.60 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 -3.77 4.21 -0.18 0.10 2.04 -1.26 -4.55 115.26 111.86 1h2i n ASN 82 Ca 0.02 -2.92 0.08 0.00 -0.44 0.00 0.00 54.58 51.31 1h2i n ASN 82 Cb 0.33 -0.55 -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 -0.18 -0.32 3.15 4.83 0.00 0.07 -4.70 105.19 108.06 1h2i n GLY 83 Ca 0.22 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.31 0.21 0.22 1.61 1.48 -1.26 -1.18 118.94 117.71 1h2i s TRP 84 Ca 0.10 -0.58 -0.14 0.00 -1.06 0.00 0.00 56.10 54.41 1h2i s TRP 84 Cb 0.13 -0.13 0.01 0.00 -1.16 0.00 0.00 33.47 32.31 1h2i s TRP 84 CO 0.57 -0.44 0.48 0.00 -4.06 0.00 0.00 176.95 173.50 1h2i s ALA 85 N -3.24 -0.50 -0.03 2.67 0.00 0.17 -4.96 121.76 115.87 1h2i s ALA 85 Ca 0.00 -0.62 -0.20 0.00 0.00 0.00 0.00 51.96 51.14 1h2i s ALA 85 Cb 0.02 0.95 0.04 0.00 0.00 0.00 0.00 23.12 24.13 1h2i s ALA 85 CO -0.08 -0.82 0.43 -3.38 0.00 0.00 0.00 175.76 171.91 1h2i s HIS 86 N -3.95 -0.33 0.12 0.00 -3.43 -1.26 0.26 115.29 106.70 1h2i s HIS 86 Ca 0.16 0.55 0.02 0.00 -0.80 0.00 0.00 55.06 54.99 1h2i s HIS 86 Cb -0.00 0.19 -0.04 0.00 -1.43 0.00 0.00 32.58 31.30 1h2i s HIS 86 CO 0.03 -0.45 -0.05 -1.54 -2.00 0.00 0.00 174.74 170.74 1h2i s SER 87 N -1.25 1.19 -0.49 7.38 1.04 -0.24 -4.99 113.70 116.34 1h2i s SER 87 Ca -0.12 -1.06 -0.15 0.00 0.48 0.00 0.00 55.95 55.09 1h2i s SER 87 Cb -0.04 0.10 0.09 0.00 0.10 0.00 0.00 66.02 66.27 1h2i s SER 87 CO 0.06 -0.49 0.42 -0.63 0.98 0.00 0.00 173.24 173.58 1h2i s ILE 88 N -3.62 5.18 0.34 -1.02 1.01 -1.26 -1.23 121.20 120.60 1h2i s ILE 88 Ca 0.16 -1.22 0.08 0.00 0.00 0.00 0.00 60.65 59.68 1h2i s ILE 88 Cb 0.05 -4.17 0.10 0.00 0.01 0.00 0.00 42.46 38.45 1h2i s ILE 88 CO -0.02 -0.67 1.81 0.71 0.00 0.00 0.00 174.94 176.77 1h2i h THR 89 N 5.81 1.25 -1.43 2.92 1.35 -1.12 -3.46 112.91 118.23 1h2i h THR 89 Ca -0.29 -1.16 0.12 0.00 -0.55 0.00 0.00 66.41 64.53 1h2i h THR 89 Cb 1.11 1.47 -0.25 0.00 -1.73 0.00 0.00 68.15 68.75 1h2i h THR 89 CO 0.92 0.35 0.65 -1.58 -0.25 0.00 0.00 175.52 175.61 1h2i s GLN 90 N -4.42 0.45 -0.06 4.72 0.74 -1.20 -4.99 119.66 114.90 1h2i s GLN 90 Ca -0.05 0.14 0.00 0.00 0.05 0.00 0.00 55.36 55.51 1h2i s GLN 90 Cb 0.14 0.21 0.02 0.00 1.10 0.00 0.00 33.01 34.49 1h2i s GLN 90 CO 0.75 -0.13 -0.04 -1.14 -0.55 0.00 0.00 175.29 174.18 1h2i s GLN 91 N -0.96 0.83 -0.08 1.67 0.74 -1.26 -0.08 119.66 120.53 1h2i s GLN 91 Ca 0.01 -0.06 0.02 0.00 0.05 0.00 0.00 55.36 55.38 1h2i s GLN 91 Cb -0.01 -0.94 0.01 0.00 1.10 0.00 0.00 33.01 33.17 1h2i s GLN 91 CO -0.02 -0.15 -0.13 1.21 -0.55 0.00 0.00 175.29 175.65 1h2i s ASN 92 N 1.26 2.06 -0.39 6.67 3.84 0.29 -5.00 114.94 123.67 1h2i s ASN 92 Ca -0.06 -0.35 -0.27 0.00 0.21 0.00 0.00 52.86 52.40 1h2i s ASN 92 Cb -0.14 -0.93 0.02 0.00 -0.55 0.00 0.00 41.25 39.65 1h2i s ASN 92 CO -0.02 0.03 0.98 -0.69 -2.79 0.00 0.00 177.10 174.61 1h2i s VAL 93 N 0.79 4.50 0.13 -5.21 1.01 -1.26 -1.12 120.40 119.24 1h2i s VAL 93 Ca -0.12 1.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.98 1h2i s VAL 93 Cb -0.16 -4.40 -0.05 0.00 0.00 0.00 0.00 36.38 31.77 1h2i s VAL 93 CO 0.02 -0.64 1.46 0.44 0.00 0.00 0.00 175.10 176.38 1h2i h ASP 94 N 8.60 0.97 -4.04 3.32 3.45 -0.90 -3.48 116.42 124.35 1h2i h ASP 94 Ca -0.23 -0.47 0.14 0.00 0.43 0.00 0.00 57.03 56.90 1h2i h ASP 94 Cb 1.07 -0.27 -0.22 0.00 -0.56 0.00 0.00 39.33 39.35 1h2i h ASP 94 CO 1.02 1.24 0.65 0.72 -1.57 0.00 0.00 179.24 181.30 1h2i s PHE 95 N -4.37 -0.27 -0.28 4.55 -0.12 -1.20 -4.99 117.98 111.30 1h2i s PHE 95 Ca -0.11 0.40 -0.02 0.00 -0.05 0.00 0.00 56.93 57.15 1h2i s PHE 95 Cb 0.11 0.48 0.09 0.00 -0.63 0.00 0.00 43.02 43.06 1h2i s PHE 95 CO 0.88 -0.30 0.08 0.08 -0.05 0.00 0.00 175.22 175.91 1h2i s VAL 96 N -1.57 0.69 -0.07 -2.49 1.01 -1.26 -2.41 120.40 114.31 1h2i s VAL 96 Ca 0.03 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 60.92 1h2i s VAL 96 Cb -0.01 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1h2i s VAL 96 CO -0.02 -0.54 -0.09 -1.81 0.00 0.00 0.00 175.10 172.63 1h2i s ASP 97 N 1.73 4.47 -0.33 3.32 1.01 0.28 -4.95 116.67 122.20 1h2i s ASP 97 Ca 0.06 -0.08 -0.03 0.00 0.71 0.00 0.00 52.55 53.22 1h2i s ASP 97 Cb -0.17 -1.10 0.06 0.00 1.01 0.00 0.00 42.92 42.72 1h2i s ASP 97 CO -0.22 0.35 0.06 -0.22 0.21 0.00 0.00 175.17 175.35 1h2i s LEU 98 N -0.74 4.25 0.00 1.23 2.96 -1.26 0.42 118.68 125.54 1h2i s LEU 98 Ca 0.11 -1.40 0.11 0.00 -0.22 0.00 0.00 54.13 52.74 1h2i s LEU 98 Cb -0.11 -1.77 0.15 0.00 0.50 0.00 0.00 46.19 44.96 1h2i s LEU 98 CO 0.01 -0.33 0.96 0.59 -1.32 0.00 0.00 176.35 176.27 1h2i n ASN 99 N 4.65 2.20 0.00 3.68 5.03 -0.84 -4.97 115.26 125.01 1h2i n ASN 99 Ca -0.11 -1.61 0.00 0.00 0.87 0.00 0.00 54.58 53.74 1h2i n ASN 99 Cb 0.43 -0.06 0.00 0.00 -1.02 0.00 0.00 39.78 39.13 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 0.61 0.00 -0.00 6.41 3.02 -1.26 -4.90 115.26 119.14 1h2i n ASN 100 Ca 0.08 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.63 1h2i n ASN 100 Cb 0.32 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.50 1h2i n ASN 100 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h2i n GLY 101 N 0.00 3.08 3.63 7.41 0.00 -1.26 -5.03 105.19 113.02 1h2i n GLY 101 Ca 0.00 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 1h2i n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h2i s LYS 102 N -1.09 2.29 -0.04 1.61 1.02 -1.26 -4.52 119.74 117.75 1h2i s LYS 102 Ca 0.02 -1.13 -0.01 0.00 0.02 0.00 0.00 55.97 54.87 1h2i s LYS 102 Cb 0.01 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 34.98 1h2i s LYS 102 CO 0.00 0.46 0.02 -0.06 -0.92 0.00 0.00 175.35 174.85 1h2i s PHE 103 N -1.66 3.17 -0.20 3.18 0.40 0.23 -1.99 117.98 121.12 1h2i s PHE 103 Ca 0.26 0.17 0.01 0.00 -0.60 0.00 0.00 56.93 56.77 1h2i s PHE 103 Cb -0.09 -1.74 0.04 0.00 0.51 0.00 0.00 43.02 41.73 1h2i s PHE 103 CO 0.17 0.49 -0.14 0.71 0.70 0.00 0.00 175.22 177.15 1h2i s TYR 104 N -1.02 2.71 -0.05 0.36 1.51 0.17 -1.55 117.35 119.48 1h2i s TYR 104 Ca 0.17 -1.73 0.03 0.00 -1.01 0.00 0.00 57.07 54.53 1h2i s TYR 104 Cb -0.12 -1.80 0.01 0.00 -0.11 0.00 0.00 41.96 39.94 1h2i s TYR 104 CO 0.07 -0.79 -0.12 0.08 -1.11 0.00 0.00 175.55 173.69 1h2i s VAL 105 N 1.30 1.05 -0.14 0.71 1.01 0.61 -0.56 120.40 124.38 1h2i s VAL 105 Ca 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1h2i s VAL 105 Cb -0.15 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.30 1h2i s VAL 105 CO -0.10 0.33 -0.18 -0.83 0.00 0.00 0.00 175.10 174.32 1h2i s GLY 106 N 0.42 1.22 -0.00 4.51 0.00 -1.01 -1.59 107.32 110.86 1h2i s GLY 106 Ca -0.09 -0.98 0.05 0.00 0.00 0.00 0.00 44.72 43.70 1h2i s GLY 106 CO 0.02 0.27 -0.15 0.14 0.00 0.00 0.00 173.10 173.38 1h2i s VAL 107 N 1.16 1.20 0.15 1.40 1.01 0.45 -0.14 120.40 125.63 1h2i s VAL 107 Ca -0.01 -0.72 0.11 0.00 0.00 0.00 0.00 61.98 61.37 1h2i s VAL 107 Cb -0.14 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1h2i s VAL 107 CO -0.07 0.29 -0.26 0.00 0.00 0.00 0.00 175.10 175.06 1h2i s ALA 109 N -1.26 0.33 -0.27 0.00 0.00 -0.71 -0.55 121.76 119.31 1h2i s ALA 109 Ca 0.16 -0.25 -0.05 0.00 0.00 0.00 0.00 51.96 51.82 1h2i s ALA 109 Cb -0.09 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 22.98 1h2i s ALA 109 CO 0.07 0.05 0.03 -0.06 0.00 0.00 0.00 175.76 175.86 1h2i s PHE 110 N -0.31 3.10 -0.15 0.00 0.40 0.89 -0.46 117.98 121.45 1h2i s PHE 110 Ca -0.01 -1.06 -0.01 0.00 -0.60 0.00 0.00 56.93 55.25 1h2i s PHE 110 Cb -0.03 -2.19 -0.01 0.00 0.51 0.00 0.00 43.02 41.30 1h2i s PHE 110 CO -0.00 -0.59 -0.12 0.08 0.70 0.00 0.00 175.22 175.29 1h2i s VAL 111 N 1.47 3.02 -0.23 -0.44 1.01 -0.43 -0.44 120.40 124.36 1h2i s VAL 111 Ca 0.03 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 1h2i s VAL 111 Cb -0.17 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 1h2i s VAL 111 CO 0.00 0.51 0.02 -0.60 0.00 0.00 0.00 175.10 175.03 1h2i s ARG 112 N 0.62 3.54 -0.03 2.72 3.52 -0.37 -1.75 118.95 127.21 1h2i s ARG 112 Ca -0.07 -0.54 0.01 0.00 -0.13 0.00 0.00 55.73 55.00 1h2i s ARG 112 Cb -0.15 -3.17 -0.03 0.00 -1.56 0.00 0.00 34.95 30.04 1h2i s ARG 112 CO 0.03 -0.16 -0.04 0.54 -0.81 0.00 0.00 175.30 174.85 1h2i s VAL 113 N 1.48 3.91 0.05 7.11 0.11 -0.08 -1.08 120.40 131.89 1h2i s VAL 113 Ca 0.05 -0.56 0.02 0.00 -2.93 0.00 0.00 61.98 58.56 1h2i s VAL 113 Cb -0.15 -2.68 -0.03 0.00 -1.53 0.00 0.00 36.38 32.00 1h2i s VAL 113 CO 0.01 0.48 -0.07 -1.58 -3.33 0.00 0.00 175.10 170.60 1h2i s GLN 114 N -1.21 0.55 0.32 1.54 0.74 0.14 -1.51 119.66 120.23 1h2i s GLN 114 Ca 0.16 -0.82 0.05 0.00 0.05 0.00 0.00 55.36 54.80 1h2i s GLN 114 Cb -0.11 -0.25 -0.01 0.00 1.10 0.00 0.00 33.01 33.73 1h2i s GLN 114 CO 0.06 0.03 0.46 -0.51 -0.55 0.00 0.00 175.29 174.78 1h2i s LEU 115 N -1.76 4.04 0.46 3.68 1.02 -0.22 0.41 118.68 126.31 1h2i s LEU 115 Ca -0.08 -0.06 0.28 0.00 0.02 0.00 0.00 54.13 54.29 1h2i s LEU 115 Cb -0.08 -2.84 1.52 0.00 0.02 0.00 0.00 46.19 44.81 1h2i s LEU 115 CO -0.00 -0.35 1.84 0.07 0.02 0.00 0.00 176.35 177.92 1h2i h LYS 116 N 0.92 0.00 -0.49 1.70 2.10 -1.43 -0.37 116.57 119.01 1h2i h LYS 116 Ca -0.48 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.13 1h2i h LYS 116 Cb 1.25 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.56 1h2i h LYS 116 CO 0.56 0.00 0.12 0.22 -2.00 0.00 0.00 179.45 178.34 1h2i h ASP 117 N 0.00 0.75 0.00 7.07 -0.00 -1.85 0.34 116.42 122.73 1h2i h ASP 117 Ca 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 57.03 56.79 1h2i h ASP 117 Cb 0.15 -0.20 0.00 0.00 -0.00 0.00 0.00 39.33 39.28 1h2i h ASP 117 CO 0.00 0.79 0.00 0.61 -0.00 0.00 0.00 179.24 180.64 1h2i n GLY 118 N -0.60 1.67 3.77 -0.78 0.00 -0.15 -4.52 105.19 104.59 1h2i n GLY 118 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.87 5.40 0.22 1.61 1.04 -1.26 -4.78 113.70 114.05 1h2i s SER 119 Ca 0.00 2.16 -0.21 0.00 0.48 0.00 0.00 55.95 58.38 1h2i s SER 119 Cb 0.00 -2.57 0.04 0.00 0.10 0.00 0.00 66.02 63.59 1h2i s SER 119 CO 0.00 -1.44 0.63 -0.72 0.98 0.00 0.00 173.24 172.69 1h2i s TYR 120 N -1.93 -0.30 -0.11 5.02 -0.85 -1.26 -1.06 117.35 116.86 1h2i s TYR 120 Ca 0.72 -0.04 -0.09 0.00 -0.52 0.00 0.00 57.07 57.13 1h2i s TYR 120 Cb -0.24 0.58 0.03 0.00 0.38 0.00 0.00 41.96 42.71 1h2i s TYR 120 CO 0.33 -1.02 0.28 -1.01 -1.52 0.00 0.00 175.55 172.61 1h2i s HIS 121 N -3.85 -0.32 0.01 -3.49 3.76 -0.57 -5.00 115.29 105.83 1h2i s HIS 121 Ca 0.07 0.78 0.06 0.00 -0.15 0.00 0.00 55.06 55.82 1h2i s HIS 121 Cb -0.03 0.11 -0.02 0.00 1.11 0.00 0.00 32.58 33.75 1h2i s HIS 121 CO -0.03 -0.17 -0.18 -2.00 -0.85 0.00 0.00 174.74 171.51 1h2i s GLU 122 N 0.33 1.37 0.27 1.40 2.12 -1.26 -0.91 118.70 122.02 1h2i s GLU 122 Ca -0.01 -0.77 -0.07 0.00 0.36 0.00 0.00 54.97 54.48 1h2i s GLU 122 Cb -0.03 -1.39 -0.01 0.00 0.26 0.00 0.00 34.13 32.96 1h2i s GLU 122 CO -0.01 0.37 0.41 0.34 -0.54 0.00 0.00 175.26 175.82 1h2i s ASP 123 N -0.79 0.25 0.02 -1.70 -1.08 -0.72 -4.90 116.67 107.76 1h2i s ASP 123 Ca 0.06 -1.19 -0.01 0.00 -0.52 0.00 0.00 52.55 50.90 1h2i s ASP 123 Cb -0.08 0.57 -0.04 0.00 -1.46 0.00 0.00 42.92 41.91 1h2i s ASP 123 CO 0.00 -1.13 0.15 0.68 0.52 0.00 0.00 175.17 175.39 1h2i s VAL 124 N -3.75 5.10 0.22 1.11 -7.23 -1.26 -1.32 120.40 113.28 1h2i s VAL 124 Ca 0.28 -0.36 0.10 0.00 -1.81 0.00 0.00 61.98 60.19 1h2i s VAL 124 Cb 0.01 -3.40 -0.05 0.00 0.56 0.00 0.00 36.38 33.50 1h2i s VAL 124 CO 0.13 0.27 -0.18 -0.83 -0.31 0.00 0.00 175.10 174.18 1h2i s GLY 125 N -2.06 1.61 0.05 2.32 0.00 0.39 -4.52 107.32 105.09 1h2i s GLY 125 Ca 0.28 -1.71 0.04 0.00 0.00 0.00 0.00 44.72 43.33 1h2i s GLY 125 CO 0.20 -1.79 -0.11 -0.47 0.00 0.00 0.00 173.10 170.93 1h2i s TYR 126 N -2.56 0.93 -0.04 1.90 5.04 -1.26 -1.73 117.35 119.63 1h2i s TYR 126 Ca 0.24 -0.43 0.03 0.00 -2.44 0.00 0.00 57.07 54.47 1h2i s TYR 126 Cb -0.04 -0.54 0.00 0.00 0.35 0.00 0.00 41.96 41.73 1h2i s TYR 126 CO 0.10 -0.01 -0.14 0.20 -1.34 0.00 0.00 175.55 174.36 1h2i s GLY 127 N -1.44 0.77 -0.01 8.97 0.00 0.32 -3.89 107.32 112.04 1h2i s GLY 127 Ca -0.04 -0.52 0.04 0.00 0.00 0.00 0.00 44.72 44.19 1h2i s GLY 127 CO 0.01 -0.18 -0.14 0.14 0.00 0.00 0.00 173.10 172.93 1h2i s VAL 128 N 0.20 1.08 -0.17 1.40 1.01 -1.26 -0.41 120.40 122.25 1h2i s VAL 128 Ca -0.06 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 1h2i s VAL 128 Cb -0.11 -0.91 0.06 0.00 0.00 0.00 0.00 36.38 35.42 1h2i s VAL 128 CO 0.02 0.31 0.10 -0.55 0.00 0.00 0.00 175.10 174.98 1h2i s SER 129 N -0.28 2.23 -0.10 3.32 0.15 -0.62 -4.57 113.70 113.82 1h2i s SER 129 Ca 0.04 -0.56 0.03 0.00 0.70 0.00 0.00 55.95 56.16 1h2i s SER 129 Cb -0.06 -0.19 0.01 0.00 -1.71 0.00 0.00 66.02 64.08 1h2i s SER 129 CO -0.00 -0.35 -0.18 -1.61 1.20 0.00 0.00 173.24 172.30 1h2i s GLU 130 N 2.16 2.43 0.00 5.44 2.02 -1.26 -0.29 118.70 129.20 1h2i s GLU 130 Ca 0.02 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.36 1h2i s GLU 130 Cb -0.16 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.11 1h2i s GLU 130 CO -0.09 0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.63 1h2i n GLY 131 N 3.92 1.98 3.80 -1.39 0.00 -0.59 -5.01 105.19 107.90 1h2i n GLY 131 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1h2i n GLY 131 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h2i s LEU 132 N 0.00 3.10 0.00 0.99 1.43 -1.25 -4.62 118.68 118.33 1h2i s LEU 132 Ca 0.00 1.70 0.22 0.00 -1.03 0.00 0.00 54.13 55.02 1h2i s LEU 132 Cb 0.00 -4.51 -0.15 0.00 0.03 0.00 0.00 46.19 41.56 1h2i s LEU 132 CO 0.00 -1.67 0.89 0.29 0.23 0.00 0.00 176.35 176.09 1h2i n LYS 133 N -3.26 0.15 -3.21 1.70 5.02 -1.26 -0.60 118.16 116.70 1h2i n LYS 133 Ca 0.08 -0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 55.94 1h2i n LYS 133 Cb 0.53 -1.52 -0.07 0.00 -0.02 0.00 0.00 35.03 33.96 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 -3.38 6.51 0.04 4.39 0.15 -1.26 -4.82 113.70 115.33 1h2i s SER 134 Ca 0.05 0.61 -0.23 0.00 0.70 0.00 0.00 55.95 57.08 1h2i s SER 134 Cb 0.16 -2.30 -0.16 0.00 -1.71 0.00 0.00 66.02 62.01 1h2i s SER 134 CO 0.85 -0.27 1.52 0.50 1.20 0.00 0.00 173.24 177.04 1h2i h LYS 135 N 7.82 0.07 0.05 5.44 3.64 -1.98 -1.88 116.57 129.72 1h2i h LYS 135 Ca -0.30 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.09 1h2i h LYS 135 Cb 1.14 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.91 1h2i h LYS 135 CO 0.74 0.28 -0.29 0.00 -2.27 0.00 0.00 179.45 177.91 1h2i h ALA 136 N 0.78 -0.45 0.00 5.00 0.00 -1.99 0.88 119.26 123.48 1h2i h ALA 136 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1h2i h ALA 136 Cb 0.25 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1h2i h ALA 136 CO 0.00 -0.81 -0.03 -0.07 0.00 0.00 0.00 179.25 178.34 1h2i h LEU 137 N -0.47 0.00 0.02 0.00 -0.00 -1.97 0.06 115.31 112.95 1h2i h LEU 137 Ca 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1h2i h LEU 137 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 1h2i h LEU 137 CO -0.22 0.03 -0.01 0.28 -0.00 0.00 0.00 178.44 178.52 1h2i h SER 138 N 0.00 -0.02 -0.39 -0.43 0.02 -0.41 -2.29 113.55 110.02 1h2i h SER 138 Ca -0.00 -0.56 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1h2i h SER 138 Cb 0.05 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1h2i h SER 138 CO 0.00 0.56 0.26 -0.07 -1.14 0.00 0.00 176.83 176.44 1h2i h LEU 139 N -0.62 0.45 -0.40 5.07 -0.00 -0.57 -1.78 115.31 117.47 1h2i h LEU 139 Ca -0.00 -0.02 0.06 0.00 -0.00 0.00 0.00 57.88 57.92 1h2i h LEU 139 Cb 0.58 -0.11 -0.05 0.00 -0.00 0.00 0.00 40.66 41.07 1h2i h LEU 139 CO 0.00 0.34 0.08 -0.08 -0.00 0.00 0.00 178.44 178.78 1h2i h GLU 140 N 0.53 0.20 -0.28 1.13 4.81 -1.03 0.10 114.58 120.04 1h2i h GLU 140 Ca 0.14 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1h2i h GLU 140 Cb -0.05 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1h2i h GLU 140 CO -0.03 0.13 0.13 -0.22 -0.73 0.00 0.00 179.01 178.30 1h2i h LYS 141 N 0.21 0.41 -0.38 1.92 3.64 -1.20 -2.30 116.57 118.87 1h2i h LYS 141 Ca 0.19 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1h2i h LYS 141 Cb 0.23 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1h2i h LYS 141 CO -0.25 0.40 0.03 0.00 -2.27 0.00 0.00 179.45 177.36 1h2i h ALA 142 N 0.99 0.51 -0.16 5.00 0.00 -0.94 -1.26 119.26 123.39 1h2i h ALA 142 Ca 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1h2i h ALA 142 Cb 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1h2i h ALA 142 CO -0.01 0.25 0.06 0.00 0.00 0.00 0.00 179.25 179.54 1h2i h ARG 143 N 0.48 0.25 -0.61 0.00 3.08 -0.78 -1.75 114.38 115.05 1h2i h ARG 143 Ca 0.11 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1h2i h ARG 143 Cb 0.41 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1h2i h ARG 143 CO 0.01 0.35 0.28 0.87 -1.07 0.00 0.00 179.97 180.42 1h2i h LYS 144 N 0.09 0.88 -0.05 0.04 1.57 -1.36 -2.80 116.57 114.95 1h2i h LYS 144 Ca 0.05 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 1h2i h LYS 144 Cb 0.20 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1h2i h LYS 144 CO -0.00 0.72 -0.41 0.93 -0.57 0.00 0.00 179.45 180.12 1h2i h GLU 145 N 0.84 0.10 -0.55 3.15 5.08 -1.15 -2.23 114.58 119.83 1h2i h GLU 145 Ca 0.21 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1h2i h GLU 145 Cb 0.13 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1h2i h GLU 145 CO -0.02 0.50 0.30 0.00 -1.00 0.00 0.00 179.01 178.79 1h2i h ALA 146 N 1.50 0.70 0.14 3.43 0.00 -1.08 0.16 119.26 124.10 1h2i h ALA 146 Ca 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1h2i h ALA 146 Cb 0.77 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1h2i h ALA 146 CO 0.06 0.21 -0.07 0.28 0.00 0.00 0.00 179.25 179.73 1h2i h VAL 147 N 0.73 0.97 -0.90 0.00 2.07 -1.22 -0.22 116.25 117.68 1h2i h VAL 147 Ca 0.19 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.26 1h2i h VAL 147 Cb 0.04 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1h2i h VAL 147 CO -0.03 0.11 0.59 0.74 0.02 0.00 0.00 177.57 179.00 1h2i h THR 148 N -0.41 1.17 -0.44 2.57 2.02 -1.29 0.17 112.91 116.70 1h2i h THR 148 Ca -0.02 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 1h2i h THR 148 Cb 0.33 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 1h2i h THR 148 CO 0.03 0.21 0.11 -0.78 0.37 0.00 0.00 175.52 175.46 1h2i h ASP 149 N 1.15 0.67 -0.56 4.18 -0.00 -0.53 -1.22 116.42 120.11 1h2i h ASP 149 Ca 0.35 -0.23 -0.11 0.00 -0.00 0.00 0.00 57.03 57.04 1h2i h ASP 149 Cb -0.02 -0.18 -0.02 0.00 -0.00 0.00 0.00 39.33 39.12 1h2i h ASP 149 CO -0.10 0.72 -0.08 1.23 -0.00 0.00 0.00 179.24 181.01 1h2i h GLY 150 N 0.58 1.14 1.02 -0.78 0.00 -0.08 -0.77 103.07 104.18 1h2i h GLY 150 Ca 0.14 -0.90 -0.01 0.00 0.00 0.00 0.00 47.33 46.56 1h2i h GLY 150 CO 0.00 0.82 0.48 -2.00 0.00 0.00 0.00 176.54 175.84 1h2i h LEU 151 N 0.94 1.04 -0.18 3.11 5.85 -0.38 0.44 115.31 126.13 1h2i h LEU 151 Ca 0.15 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1h2i h LEU 151 Cb 0.65 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1h2i h LEU 151 CO 0.04 0.83 0.05 0.11 -0.34 0.00 0.00 178.44 179.13 1h2i h LYS 152 N 1.17 0.28 -0.65 1.25 1.57 -0.90 -1.45 116.57 117.85 1h2i h LYS 152 Ca 0.30 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 1h2i h LYS 152 Cb 0.00 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1h2i h LYS 152 CO -0.05 0.42 0.26 0.00 -0.57 0.00 0.00 179.45 179.51 1h2i h ARG 153 N 0.10 0.96 -0.23 3.15 3.08 -0.79 -1.29 114.38 119.36 1h2i h ARG 153 Ca 0.06 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 59.94 1h2i h ARG 153 Cb 0.26 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1h2i h ARG 153 CO 0.00 0.80 0.13 0.00 -1.07 0.00 0.00 179.97 179.84 1h2i h ALA 154 N 1.11 0.29 -0.27 0.04 0.00 -0.78 -2.40 119.26 117.25 1h2i h ALA 154 Ca 0.22 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1h2i h ALA 154 Cb 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1h2i h ALA 154 CO -0.02 -0.27 0.18 -0.07 0.00 0.00 0.00 179.25 179.08 1h2i h LEU 155 N 0.27 0.24 -1.41 0.00 -0.00 -0.90 -2.45 115.31 111.07 1h2i h LEU 155 Ca 0.09 -0.00 0.18 0.00 -0.00 0.00 0.00 57.88 58.15 1h2i h LEU 155 Cb 0.00 -0.06 -0.07 0.00 -0.00 0.00 0.00 40.66 40.53 1h2i h LEU 155 CO -0.05 0.17 0.59 0.03 -0.00 0.00 0.00 178.44 179.18 1h2i h ARG 156 N 0.28 0.50 -0.18 1.13 3.08 -0.70 -1.07 114.38 117.42 1h2i h ARG 156 Ca 0.11 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.18 1h2i h ARG 156 Cb 0.10 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1h2i h ARG 156 CO -0.02 0.33 0.34 0.77 -1.07 0.00 0.00 179.97 180.32 1h2i h SER 157 N 0.51 0.00 1.72 7.04 0.02 -1.53 -1.43 113.55 119.88 1h2i h SER 157 Ca 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1h2i h SER 157 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1h2i h SER 157 CO -0.20 0.00 0.00 -0.26 -1.14 0.00 0.00 176.83 175.23 1h2i h PHE 158 N 0.00 0.00 0.00 3.45 -1.00 -1.39 -3.49 116.94 114.50 1h2i h PHE 158 Ca 0.08 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.86 1h2i h PHE 158 Cb 0.77 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.33 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 0.94 0.31 0.21 -1.45 0.00 -0.54 -4.94 105.19 99.73 1h2i n GLY 159 Ca 0.04 -1.51 -0.07 0.00 0.00 0.00 0.00 46.02 44.48 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 0.60 -0.06 1.61 2.35 -1.51 -1.40 115.58 117.17 1h2i h ASN 160 Ca 0.00 -0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1h2i h ASN 160 Cb 0.00 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 1h2i h ASN 160 CO 0.00 0.47 0.17 0.00 -1.65 0.00 0.00 177.43 176.42 1h2i h ALA 161 N 1.15 1.37 -0.53 -0.83 0.00 0.86 0.85 119.26 122.12 1h2i h ALA 161 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1h2i h ALA 161 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1h2i h ALA 161 CO -0.04 -0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.30 1h2i n LEU 162 N -3.25 4.27 0.00 0.00 7.99 -0.91 -4.92 117.00 120.18 1h2i n LEU 162 Ca -0.01 -2.45 0.00 0.00 -0.01 0.00 0.00 56.01 53.54 1h2i n LEU 162 Cb 0.25 -0.51 0.00 0.00 -0.11 0.00 0.00 43.42 43.05 1h2i n LEU 162 CO 0.20 0.78 0.00 0.61 -1.51 0.00 0.00 177.39 177.47 1h2i n GLY 163 N 0.75 0.89 0.26 -0.72 0.00 0.28 -3.96 105.19 102.70 1h2i n GLY 163 Ca 0.22 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.34 1.61 -0.00 -1.20 -2.83 115.58 112.82 1h2i h ASN 164 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.30 56.19 1h2i h ASN 164 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.31 1h2i h ASN 164 CO 0.00 0.11 -0.23 0.00 -0.00 0.00 0.00 177.43 177.31 1h2i n ILE 166 N -4.27 -0.00 -0.12 0.00 0.00 -1.07 0.96 119.36 114.87 1h2i n ILE 166 Ca -0.03 0.64 0.05 0.00 0.00 0.00 0.00 62.75 63.41 1h2i n ILE 166 Cb 0.44 -1.06 0.13 0.00 0.00 0.00 0.00 39.64 39.15 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 -2.83 2.77 -4.53 9.51 -0.00 -1.26 -4.90 117.00 115.76 1h2i n LEU 167 Ca 0.19 -1.93 -0.42 0.00 -0.00 0.00 0.00 56.01 53.85 1h2i n LEU 167 Cb 0.87 -0.19 -0.03 0.00 -0.00 0.00 0.00 43.42 44.06 1h2i n LEU 167 CO 0.19 0.68 0.93 -0.62 -0.00 0.00 0.00 177.39 178.57 1h2i s ASP 168 N -0.99 6.29 0.42 1.45 3.68 0.27 -4.93 116.67 122.86 1h2i s ASP 168 Ca 0.20 -0.38 0.21 0.00 2.13 0.00 0.00 52.55 54.71 1h2i s ASP 168 Cb 0.11 -2.49 1.18 0.00 -1.45 0.00 0.00 42.92 40.27 1h2i s ASP 168 CO 0.14 -1.47 1.76 0.11 0.13 0.00 0.00 175.17 175.85 1h2i h LYS 169 N 9.58 0.32 0.00 4.34 1.57 -1.90 0.57 116.57 131.04 1h2i h LYS 169 Ca -0.27 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.38 1h2i h LYS 169 Cb 1.06 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1h2i h LYS 169 CO 1.17 0.21 -0.52 -0.44 -0.57 0.00 0.00 179.45 179.30 1h2i h ASP 170 N 0.33 0.00 -0.03 0.86 3.32 -1.96 0.11 116.42 119.05 1h2i h ASP 170 Ca 0.61 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.51 1h2i h ASP 170 Cb 1.66 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.22 1h2i h ASP 170 CO -0.27 0.52 -0.57 0.22 -1.72 0.00 0.00 179.24 177.42 1h2i h TYR 171 N 0.00 0.62 -0.27 4.55 3.20 -1.28 -2.39 116.97 121.40 1h2i h TYR 171 Ca -0.01 -0.32 0.01 0.00 3.14 0.00 0.00 58.73 61.55 1h2i h TYR 171 Cb 0.93 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 1h2i h TYR 171 CO 0.00 1.12 0.16 -0.07 -1.64 0.00 0.00 178.16 177.74 1h2i h LEU 172 N -0.05 0.26 0.07 2.82 3.38 -1.09 -1.24 115.31 119.46 1h2i h LEU 172 Ca -0.06 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1h2i h LEU 172 Cb 1.26 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 1h2i h LEU 172 CO 0.11 0.19 -0.27 -0.09 0.09 0.00 0.00 178.44 178.48 1h2i h ARG 173 N 0.33 -0.44 0.00 1.13 2.43 -1.00 -0.69 114.38 116.15 1h2i h ARG 173 Ca 0.11 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1h2i h ARG 173 Cb -0.01 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1h2i h ARG 173 CO -0.05 -0.29 0.00 -1.13 -1.51 0.00 0.00 179.97 176.99 1h2i n SER 174 N -5.38 0.00 0.12 -3.80 3.41 -0.90 -1.97 113.62 105.10 1h2i n SER 174 Ca -0.06 0.35 -0.22 0.00 -0.26 0.00 0.00 58.87 58.68 1h2i n SER 174 Cb 0.29 -0.43 -0.15 0.00 -0.26 0.00 0.00 64.21 63.66 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 0.69 -1.43 1.04 3.38 0.09 -3.29 115.31 115.78 1h2i h LEU 175 Ca 0.00 -0.78 -0.02 0.00 0.09 0.00 0.00 57.88 57.17 1h2i h LEU 175 Cb 0.22 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1h2i h LEU 175 CO 0.00 1.62 0.12 0.78 0.09 0.00 0.00 178.44 181.05 1h2i h ASN 176 N 0.12 0.46 0.00 -0.43 2.35 -0.75 -2.68 115.58 114.65 1h2i h ASN 176 Ca -0.24 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 1h2i h ASN 176 Cb 2.11 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 40.36 1h2i h ASN 176 CO 0.24 0.43 0.00 0.29 -1.65 0.00 0.00 177.43 176.74 1h2i n LYS 177 N -4.38 0.76 -4.35 0.81 5.02 -1.18 -4.80 118.16 110.04 1h2i n LYS 177 Ca 0.02 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.11 1h2i n LYS 177 Cb 0.15 -1.12 -0.10 0.00 -0.02 0.00 0.00 35.03 33.94 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 2.53 0.98 -0.35 1.43 -1.01 -5.08 118.68 117.18 1h2i s LEU 178 Ca 0.00 -0.99 -0.14 0.00 -1.03 0.00 0.00 54.13 51.97 1h2i s LEU 178 Cb 0.00 -0.74 -0.00 0.00 0.03 0.00 0.00 46.19 45.48 1h2i s LEU 178 CO 0.00 -0.12 0.08 -2.65 0.23 0.00 0.00 176.35 173.88 1h2i n PRO 179 N -0.25 -0.35 -0.26 1.29 -0.02 -1.26 -4.95 135.00 129.20 1h2i n PRO 179 Ca -0.09 -0.07 -0.23 0.00 -2.02 0.00 0.00 63.50 61.09 1h2i n PRO 179 Cb 0.60 -1.65 0.22 0.00 -0.02 0.00 0.00 33.50 32.65 1h2i n PRO 179 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1h2i n ARG 180 N -0.79 -4.01 -3.85 -0.52 0.63 -1.26 -4.99 116.66 101.87 1h2i n ARG 180 Ca 0.04 -1.14 -0.30 0.00 -0.92 0.00 0.00 57.85 55.53 1h2i n ARG 180 Cb 0.55 -1.42 -0.14 0.00 0.45 0.00 0.00 32.46 31.91 1h2i n ARG 180 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1h2i s GLN 181 N -4.63 1.72 -0.01 -0.14 2.00 -1.26 -5.08 119.66 112.26 1h2i s GLN 181 Ca 0.51 -2.40 -0.30 0.00 -2.00 0.00 0.00 55.36 51.17 1h2i s GLN 181 Cb -0.08 -2.92 -0.05 0.00 0.80 0.00 0.00 33.01 30.76 1h2i s GLN 181 CO 0.43 -1.14 1.31 -0.48 -0.50 0.00 0.00 175.29 174.90 1h2i s LEU 182 N -0.08 4.31 0.56 3.68 2.34 -1.26 -4.96 118.68 123.27 1h2i s LEU 182 Ca 0.18 2.00 -0.19 0.00 0.06 0.00 0.00 54.13 56.17 1h2i s LEU 182 Cb -0.24 -3.56 -0.06 0.00 -0.56 0.00 0.00 46.19 41.76 1h2i s LEU 182 CO -0.01 -0.64 0.90 -0.81 -1.06 0.00 0.00 176.35 174.73 1h2i n PRO 183 N 5.13 0.91 -3.62 1.48 -0.04 -1.26 -4.98 135.00 132.64 1h2i n PRO 183 Ca 0.12 0.35 -0.36 0.00 -0.04 0.00 0.00 63.50 63.56 1h2i n PRO 183 Cb 0.45 -2.07 -0.07 0.00 -0.04 0.00 0.00 33.50 31.77 1h2i n PRO 183 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1h2i s LEU 184 N -1.27 4.29 0.21 1.53 0.20 -1.26 -5.06 118.68 117.31 1h2i s LEU 184 Ca 0.72 0.52 -0.30 0.00 0.69 0.00 0.00 54.13 55.76 1h2i s LEU 184 Cb -0.45 -2.31 -0.08 0.00 -0.43 0.00 0.00 46.19 42.92 1h2i s LEU 184 CO 0.50 0.19 1.05 -1.61 -0.29 0.00 0.00 176.35 176.19 1h2i s GLU 185 N 0.02 4.68 0.03 1.98 0.41 -1.26 -5.02 118.70 119.53 1h2i s GLU 185 Ca 0.16 1.65 -0.21 0.00 -0.41 0.00 0.00 54.97 56.16 1h2i s GLU 185 Cb -0.13 -3.27 -0.06 0.00 -1.78 0.00 0.00 34.13 28.89 1h2i s GLU 185 CO 0.04 0.23 0.63 0.08 -0.49 0.00 0.00 175.26 175.75 1h2i s VAL 186 N -0.66 4.82 -0.78 2.63 1.01 -1.26 -5.02 120.40 121.13 1h2i s VAL 186 Ca 0.46 1.33 -0.19 0.00 0.00 0.00 0.00 61.98 63.58 1h2i s VAL 186 Cb -0.28 -3.97 0.12 0.00 0.00 0.00 0.00 36.38 32.25 1h2i s VAL 186 CO 0.35 0.44 0.94 -0.62 0.00 0.00 0.00 175.10 176.21 1h2i s ASP 187 N -0.39 6.45 -0.11 3.32 3.68 -1.26 -4.87 116.67 123.50 1h2i s ASP 187 Ca 0.32 -1.78 0.01 0.00 2.13 0.00 0.00 52.55 53.23 1h2i s ASP 187 Cb -0.19 -2.35 0.17 0.00 -1.45 0.00 0.00 42.92 39.10 1h2i s ASP 187 CO 0.19 -1.08 1.18 0.18 0.13 0.00 0.00 175.17 175.77 1h2i n LEU 188 N 6.37 3.72 -0.03 -1.34 4.77 -1.26 -4.07 117.00 125.15 1h2i n LEU 188 Ca 0.09 -1.91 -0.15 0.00 -0.03 0.00 0.00 56.01 54.01 1h2i n LEU 188 Cb 0.46 -0.58 -0.09 0.00 -2.33 0.00 0.00 43.42 40.88 1h2i n LEU 188 CO 0.53 0.60 0.46 0.74 -1.33 0.00 0.00 177.39 178.38 1h2i h THR 189 N 0.35 1.43 -0.47 -5.08 2.02 -2.05 -3.12 112.91 106.00 1h2i h THR 189 Ca 0.14 -1.69 -0.10 0.00 0.77 0.00 0.00 66.41 65.53 1h2i h THR 189 Cb 1.40 2.32 -0.06 0.00 -1.74 0.00 0.00 68.15 70.07 1h2i h THR 189 CO 0.26 0.48 0.13 0.29 0.37 0.00 0.00 175.52 177.05 1h2i n LYS 190 N -4.46 3.11 -1.40 6.66 5.02 -1.26 -4.97 118.16 120.86 1h2i n LYS 190 Ca -0.08 -2.08 -0.36 0.00 -2.02 0.00 0.00 58.31 53.76 1h2i n LYS 190 Cb 0.48 -1.95 0.07 0.00 -0.02 0.00 0.00 35.03 33.61 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 0.13 -0.52 -2.69 7.82 0.00 -1.18 -4.93 120.51 119.14 1h2i n ALA 191 Ca 0.25 -0.15 -0.42 0.00 0.00 0.00 0.00 53.44 53.12 1h2i n ALA 191 Cb 1.00 -2.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 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 -2.98 4.42 0.00 0.00 2.20 -1.26 -4.92 119.74 117.21 1h2i s LYS 192 Ca 0.72 1.25 0.03 0.00 -0.36 0.00 0.00 55.97 57.61 1h2i s LYS 192 Cb -0.37 -3.52 -0.01 0.00 -1.51 0.00 0.00 37.83 32.42 1h2i s LYS 192 CO 0.51 -0.22 0.29 0.54 -0.36 0.00 0.00 175.35 176.11 1h2i n ARG 193 N 4.69 3.87 -4.23 4.03 1.74 -1.26 -5.04 116.66 120.45 1h2i n ARG 193 Ca 0.06 -0.23 -0.16 0.00 -0.77 0.00 0.00 57.85 56.74 1h2i n ARG 193 Cb 0.49 -0.78 -0.11 0.00 -1.02 0.00 0.00 32.46 31.05 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 -0.96 1.00 0.05 5.56 -0.21 -1.26 -5.06 119.66 118.79 1h2i s GLN 194 Ca 0.02 -1.27 -0.21 0.00 0.02 0.00 0.00 55.36 53.92 1h2i s GLN 194 Cb 0.02 -0.78 -0.13 0.00 1.00 0.00 0.00 33.01 33.12 1h2i s GLN 194 CO 0.10 0.14 1.45 -0.44 -2.12 0.00 0.00 175.29 174.41 1h2i h ASP 195 N 3.36 0.26 -0.58 5.90 3.45 -2.05 -3.45 116.42 123.31 1h2i h ASP 195 Ca -0.39 -0.35 -0.75 0.00 0.43 0.00 0.00 57.03 55.97 1h2i h ASP 195 Cb 1.19 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.87 1h2i h ASP 195 CO 0.54 0.55 1.23 -0.11 -1.57 0.00 0.00 179.24 179.88 1h2i n LEU 196 N -4.73 1.36 -3.68 1.55 -0.00 -1.26 -4.94 117.00 105.29 1h2i n LEU 196 Ca -0.06 0.70 -0.34 0.00 -0.00 0.00 0.00 56.01 56.32 1h2i n LEU 196 Cb 0.24 -1.02 -0.04 0.00 -0.00 0.00 0.00 43.42 42.59 1h2i n LEU 196 CO 0.36 -0.73 0.55 -0.62 -0.00 0.00 0.00 177.39 176.96 1h2i n GLU 197 N 7.09 3.41 -0.25 1.96 -0.58 -1.26 -4.99 120.64 126.02 1h2i n GLU 197 Ca 0.45 -4.62 -0.04 0.00 -0.42 0.00 0.00 57.16 52.53 1h2i n GLU 197 Cb 0.05 -2.37 -0.02 0.00 -0.57 0.00 0.00 31.44 28.53 1h2i n GLU 197 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1h2i n PRO 198 N 1.06 -0.21 0.19 3.49 -0.02 -1.26 -0.04 135.00 138.21 1h2i n PRO 198 Ca 0.28 0.96 0.04 0.00 -2.02 0.00 0.00 63.50 62.76 1h2i n PRO 198 Cb 0.37 -1.41 0.39 0.00 -0.02 0.00 0.00 33.50 32.84 1h2i n PRO 198 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1h2i h SER 199 N 0.00 0.00 0.39 2.55 4.64 -1.99 -1.65 113.55 117.48 1h2i h SER 199 Ca 0.16 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.46 1h2i h SER 199 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1h2i h SER 199 CO -0.61 0.35 -0.19 0.58 -0.87 0.00 0.00 176.83 176.10 1h2i h VAL 200 N 0.00 0.61 -0.96 0.95 2.07 -0.89 -0.20 116.25 117.84 1h2i h VAL 200 Ca -0.00 -0.30 0.20 0.00 0.82 0.00 0.00 66.70 67.41 1h2i h VAL 200 Cb 0.70 0.76 -0.11 0.00 -1.52 0.00 0.00 31.29 31.12 1h2i h VAL 200 CO 0.05 0.06 0.54 -0.08 0.02 0.00 0.00 177.57 178.15 1h2i h GLU 201 N -0.70 0.62 -0.05 1.57 4.57 -0.84 0.99 114.58 120.75 1h2i h GLU 201 Ca -0.05 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 1h2i h GLU 201 Cb 0.49 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1h2i h GLU 201 CO 0.09 0.41 -0.07 1.49 -1.18 0.00 0.00 179.01 179.75 1h2i h GLU 202 N 0.64 0.13 -0.33 1.92 4.81 -1.11 -2.07 114.58 118.56 1h2i h GLU 202 Ca 0.57 -0.08 0.08 0.00 -0.13 0.00 0.00 59.36 59.80 1h2i h GLU 202 Cb 0.95 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 1h2i h GLU 202 CO -0.42 0.63 0.23 0.00 -0.73 0.00 0.00 179.01 178.72 1h2i h ALA 203 N 0.50 2.17 0.02 2.92 0.00 0.06 -2.36 119.26 122.57 1h2i h ALA 203 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1h2i h ALA 203 Cb 0.62 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1h2i h ALA 203 CO 0.02 -0.25 -0.95 -0.09 0.00 0.00 0.00 179.25 177.97 1h2i h ARG 204 N 0.11 0.22 -0.09 0.00 2.43 -0.57 -2.96 114.38 113.52 1h2i h ARG 204 Ca 0.15 -0.27 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1h2i h ARG 204 Cb 0.47 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1h2i h ARG 204 CO -0.02 1.02 -0.01 -0.92 -1.51 0.00 0.00 179.97 178.53 1h2i h TYR 205 N 0.11 0.18 0.00 2.20 3.20 -0.84 -2.47 116.97 119.35 1h2i h TYR 205 Ca -0.06 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1h2i h TYR 205 Cb 1.61 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.83 1h2i h TYR 205 CO 0.04 0.45 0.00 0.09 -1.64 0.00 0.00 178.16 177.10 1h2i n ASN 206 N -4.81 0.29 -0.04 -2.11 3.02 -1.11 -2.52 115.26 107.98 1h2i n ASN 206 Ca -0.06 0.58 -0.02 0.00 -0.03 0.00 0.00 54.58 55.05 1h2i n ASN 206 Cb 0.21 -0.64 0.24 0.00 -0.61 0.00 0.00 39.78 38.98 1h2i n ASN 206 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1h2i h SER 207 N 0.00 0.60 0.00 6.41 4.64 -1.26 -2.50 113.55 121.43 1h2i h SER 207 Ca 0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1h2i h SER 207 Cb 0.24 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1h2i h SER 207 CO 0.00 0.68 0.00 0.00 -0.87 0.00 0.00 176.83 176.64