#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 -2.90 2.32 0.00 0.00 7.35 -1.26 -1.44 117.46 121.52 1h2i n PHE 26 Ca 0.09 0.38 0.00 0.00 -0.76 0.00 0.00 57.45 57.16 1h2i n PHE 26 Cb 0.32 -2.50 0.00 0.00 0.35 0.00 0.00 39.48 37.65 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 2.28 1.67 0.01 7.13 0.00 0.48 -4.85 105.19 111.91 1h2i n GLY 27 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 2.63 -2.06 1.61 6.02 -0.52 -3.95 117.38 119.11 1h2i n GLN 28 Ca 0.00 -1.48 -0.28 0.00 -0.01 0.00 0.00 57.00 55.23 1h2i n GLN 28 Cb 0.00 -0.99 0.06 0.00 1.02 0.00 0.00 30.24 30.33 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 -5.30 0.85 0.27 0.00 0.74 -1.26 -4.23 119.66 110.72 1h2i s GLN 30 Ca 0.58 -0.23 -0.29 0.00 0.05 0.00 0.00 55.36 55.47 1h2i s GLN 30 Cb -0.11 -0.81 -0.10 0.00 1.10 0.00 0.00 33.01 33.10 1h2i s GLN 30 CO 0.48 0.06 1.28 0.71 -0.55 0.00 0.00 175.29 177.27 1h2i s TYR 31 N 0.34 3.21 0.65 1.67 1.51 -1.26 -5.00 117.35 118.47 1h2i s TYR 31 Ca -0.05 1.38 -0.14 0.00 -1.01 0.00 0.00 57.07 57.25 1h2i s TYR 31 Cb -0.09 -3.59 -0.01 0.00 -0.11 0.00 0.00 41.96 38.16 1h2i s TYR 31 CO 0.00 -1.67 1.08 0.95 -1.11 0.00 0.00 175.55 174.80 1h2i s THR 32 N -0.66 3.63 0.29 -0.71 -4.23 -1.26 -4.81 115.64 107.89 1h2i s THR 32 Ca 0.51 0.69 0.02 0.00 -1.18 0.00 0.00 61.69 61.74 1h2i s THR 32 Cb -0.37 -3.25 0.29 0.00 1.34 0.00 0.00 72.50 70.50 1h2i s THR 32 CO 0.45 -0.53 1.85 0.00 -0.54 0.00 0.00 174.62 175.86 1h2i h ALA 33 N -0.06 1.56 -0.22 3.99 0.00 -1.99 -0.28 119.26 122.25 1h2i h ALA 33 Ca -0.46 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1h2i h ALA 33 Cb 1.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1h2i h ALA 33 CO 0.56 0.22 0.01 1.49 0.00 0.00 0.00 179.25 181.53 1h2i h GLU 34 N 0.97 0.39 -0.36 0.00 4.81 -1.99 -0.69 114.58 117.71 1h2i h GLU 34 Ca 0.47 -0.12 -0.11 0.00 -0.13 0.00 0.00 59.36 59.47 1h2i h GLU 34 Cb 0.46 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1h2i h GLU 34 CO -0.23 0.56 -0.21 1.49 -0.73 0.00 0.00 179.01 179.89 1h2i h GLU 35 N 0.16 0.78 -0.58 1.92 4.81 -1.82 -2.06 114.58 117.79 1h2i h GLU 35 Ca 0.06 -0.36 0.09 0.00 -0.13 0.00 0.00 59.36 59.02 1h2i h GLU 35 Cb 0.38 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.68 1h2i h GLU 35 CO 0.01 0.98 0.21 -0.92 -0.73 0.00 0.00 179.01 178.56 1h2i h TYR 36 N 0.57 0.36 -0.41 0.92 3.20 -0.99 0.48 116.97 121.09 1h2i h TYR 36 Ca 0.08 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.88 1h2i h TYR 36 Cb 0.77 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 1h2i h TYR 36 CO 0.06 0.09 -0.13 0.37 -1.64 0.00 0.00 178.16 176.91 1h2i h GLN 37 N 0.38 0.81 -0.56 1.82 4.15 -0.95 0.97 115.11 121.75 1h2i h GLN 37 Ca 0.29 -0.33 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 1h2i h GLN 37 Cb 0.35 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 1h2i h GLN 37 CO -0.30 0.95 0.21 0.00 -1.93 0.00 0.00 178.83 177.76 1h2i h ALA 38 N 0.84 0.73 -0.29 3.38 0.00 -0.84 -2.24 119.26 120.83 1h2i h ALA 38 Ca 0.10 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1h2i h ALA 38 Cb 0.67 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1h2i h ALA 38 CO 0.05 0.36 -0.48 0.82 0.00 0.00 0.00 179.25 179.99 1h2i h ILE 39 N 0.77 1.28 -0.79 0.00 2.04 -0.77 -1.00 117.51 119.04 1h2i h ILE 39 Ca 0.18 -1.67 0.12 0.00 1.00 0.00 0.00 64.86 64.50 1h2i h ILE 39 Cb 0.23 1.62 -0.08 0.00 -0.74 0.00 0.00 36.82 37.85 1h2i h ILE 39 CO -0.01 0.54 0.41 1.56 0.00 0.00 0.00 178.15 180.65 1h2i h GLN 40 N 0.61 0.62 -0.10 2.37 1.08 -0.63 -0.31 115.11 118.76 1h2i h GLN 40 Ca 0.02 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 1h2i h GLN 40 Cb 1.08 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 28.37 1h2i h GLN 40 CO 0.11 0.41 -0.10 0.87 -0.95 0.00 0.00 178.83 179.17 1h2i h LYS 41 N 0.64 0.25 -0.65 1.46 1.57 -1.25 -3.19 116.57 115.40 1h2i h LYS 41 Ca 0.41 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 59.08 1h2i h LYS 41 Cb 0.50 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 1h2i h LYS 41 CO -0.31 0.67 0.43 0.00 -0.57 0.00 0.00 179.45 179.66 1h2i h ALA 42 N 0.58 1.59 0.00 3.86 0.00 -0.77 -2.23 119.26 122.29 1h2i h ALA 42 Ca 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1h2i h ALA 42 Cb 0.62 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1h2i h ALA 42 CO 0.03 0.36 -0.14 -0.07 0.00 0.00 0.00 179.25 179.42 1h2i h LEU 43 N 0.82 0.00 -1.49 0.00 3.38 -1.05 -2.89 115.31 114.08 1h2i h LEU 43 Ca 0.25 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 1h2i h LEU 43 Cb -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1h2i h LEU 43 CO -0.06 0.14 -0.24 0.03 0.09 0.00 0.00 178.44 178.40 1h2i h ARG 44 N 0.00 0.00 -6.89 1.13 3.08 -1.42 0.61 114.38 110.89 1h2i h ARG 44 Ca -0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 1h2i h ARG 44 Cb 0.36 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.52 1h2i h ARG 44 CO 0.02 0.24 0.69 1.04 -1.07 0.00 0.00 179.97 180.89 1h2i n GLN 45 N -3.73 2.50 -2.76 0.04 6.02 -1.09 -4.60 117.38 113.76 1h2i n GLN 45 Ca -0.01 0.88 -0.26 0.00 -0.01 0.00 0.00 57.00 57.59 1h2i n GLN 45 Cb 0.34 -2.57 0.00 0.00 1.02 0.00 0.00 30.24 29.04 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 -2.06 3.41 0.02 -1.09 0.52 -1.26 -1.12 118.95 117.38 1h2i s ARG 46 Ca 0.54 0.02 -0.05 0.00 -0.52 0.00 0.00 55.73 55.73 1h2i s ARG 46 Cb -0.50 -2.43 -0.05 0.00 0.52 0.00 0.00 34.95 32.50 1h2i s ARG 46 CO 0.63 -0.21 0.26 -0.48 0.02 0.00 0.00 175.30 175.51 1h2i s LEU 47 N -4.69 4.36 1.17 2.53 2.34 -1.26 -4.91 118.68 118.23 1h2i s LEU 47 Ca 0.47 0.49 -0.16 0.00 0.06 0.00 0.00 54.13 54.99 1h2i s LEU 47 Cb -0.10 -2.76 0.27 0.00 -0.56 0.00 0.00 46.19 43.05 1h2i s LEU 47 CO 0.43 0.22 1.05 -0.83 -1.06 0.00 0.00 176.35 176.16 1h2i s GLY 48 N -1.91 1.53 0.56 -3.48 0.00 -1.26 -4.89 107.32 97.87 1h2i s GLY 48 Ca 0.30 -0.50 0.24 0.00 0.00 0.00 0.00 44.72 44.76 1h2i s GLY 48 CO 0.19 0.28 2.12 -2.55 0.00 0.00 0.00 173.10 173.13 1h2i h PRO 49 N -2.55 0.00 0.00 2.90 0.11 -1.96 -1.96 132.00 128.54 1h2i h PRO 49 Ca -0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1h2i h PRO 49 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1h2i h PRO 49 CO 0.46 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.40 1h2i n GLU 50 N -4.16 0.09 -0.09 1.05 0.00 -1.26 -2.30 120.64 113.97 1h2i n GLU 50 Ca 0.01 0.24 -0.09 0.00 0.00 0.00 0.00 57.16 57.33 1h2i n GLU 50 Cb 0.28 -1.50 -0.15 0.00 0.00 0.00 0.00 31.44 30.07 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 -1.34 0.00 -3.05 -1.84 4.02 -0.74 -4.99 117.16 109.23 1h2i n TYR 51 Ca 0.03 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.53 1h2i n TYR 51 Cb 0.07 -0.91 -0.05 0.00 -0.02 0.00 0.00 39.34 38.43 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 -2.45 4.88 0.34 -0.72 -1.09 -0.97 -4.41 121.20 116.76 1h2i s ILE 52 Ca -0.09 1.49 0.03 0.00 -2.23 0.00 0.00 60.65 59.86 1h2i s ILE 52 Cb 0.06 -4.05 -0.05 0.00 -1.58 0.00 0.00 42.46 36.83 1h2i s ILE 52 CO 0.76 0.33 0.08 -0.94 -1.23 0.00 0.00 174.94 173.94 1h2i s SER 53 N 0.22 2.34 0.08 3.58 1.04 -0.15 -4.98 113.70 115.83 1h2i s SER 53 Ca 0.37 -1.45 -0.10 0.00 0.48 0.00 0.00 55.95 55.25 1h2i s SER 53 Cb -0.19 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.03 1h2i s SER 53 CO 0.20 -0.70 0.23 -0.94 0.98 0.00 0.00 173.24 173.01 1h2i s SER 54 N -3.50 0.04 0.20 7.02 1.04 -1.26 -1.08 113.70 116.17 1h2i s SER 54 Ca 0.33 -0.53 -0.01 0.00 0.48 0.00 0.00 55.95 56.23 1h2i s SER 54 Cb 0.07 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 1h2i s SER 54 CO 0.15 -0.71 0.12 0.00 0.98 0.00 0.00 173.24 173.78 1h2i s ARG 55 N -3.53 1.20 -0.26 4.02 1.70 -0.54 -4.94 118.95 116.59 1h2i s ARG 55 Ca 0.02 -1.63 -0.16 0.00 -0.47 0.00 0.00 55.73 53.49 1h2i s ARG 55 Cb 0.03 0.18 -0.03 0.00 -0.57 0.00 0.00 34.95 34.56 1h2i s ARG 55 CO -0.09 -0.36 0.45 -1.64 -1.08 0.00 0.00 175.30 172.57 1h2i s MET 56 N -4.13 4.05 0.75 3.89 -1.94 -1.26 -1.26 119.30 119.40 1h2i s MET 56 Ca 0.37 0.19 -0.11 0.00 -1.71 0.00 0.00 55.69 54.43 1h2i s MET 56 Cb 0.07 -3.65 0.04 0.00 2.01 0.00 0.00 34.83 33.31 1h2i s MET 56 CO 0.11 -0.30 1.09 0.00 -0.01 0.00 0.00 175.02 175.91 1h2i s ALA 57 N 2.14 2.49 0.35 3.03 0.00 0.75 -4.88 121.76 125.64 1h2i s ALA 57 Ca 0.18 -0.18 0.06 0.00 0.00 0.00 0.00 51.96 52.02 1h2i s ALA 57 Cb -0.16 -3.10 0.72 0.00 0.00 0.00 0.00 23.12 20.58 1h2i s ALA 57 CO 0.09 -1.48 1.94 0.78 0.00 0.00 0.00 175.76 177.09 1h2i h GLY 58 N -0.91 1.05 -1.07 0.00 0.00 -1.98 -0.29 103.07 99.88 1h2i h GLY 58 Ca -0.46 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.55 1h2i h GLY 58 CO 0.60 0.22 0.00 0.61 0.00 0.00 0.00 176.54 177.97 1h2i n GLY 59 N -1.44 0.98 3.71 4.60 0.00 -1.26 -4.75 105.19 107.02 1h2i n GLY 59 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1h2i n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2i n GLY 60 N 0.22 -0.52 3.08 -0.02 0.00 -0.12 -4.98 105.19 102.84 1h2i n GLY 60 Ca 0.00 0.22 -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 -6.42 1.14 0.33 1.61 -2.07 -1.22 -4.90 119.66 108.13 1h2i s GLN 61 Ca 0.60 -0.45 -0.29 0.00 -1.82 0.00 0.00 55.36 53.40 1h2i s GLN 61 Cb -0.29 -1.08 -0.11 0.00 -1.09 0.00 0.00 33.01 30.44 1h2i s GLN 61 CO 0.75 0.24 1.56 1.17 -1.32 0.00 0.00 175.29 177.69 1h2i n LYS 62 N 2.93 2.71 -4.01 9.60 4.81 -1.26 -0.18 118.16 132.77 1h2i n LYS 62 Ca -0.16 0.96 -0.26 0.00 -0.87 0.00 0.00 58.31 57.99 1h2i n LYS 62 Cb 0.55 -2.73 -0.17 0.00 0.02 0.00 0.00 35.03 32.70 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 -0.41 0.94 0.21 3.15 1.01 -0.39 -4.86 120.40 120.05 1h2i s VAL 63 Ca 0.60 -0.26 -0.09 0.00 0.00 0.00 0.00 61.98 62.23 1h2i s VAL 63 Cb -0.48 -0.95 -0.07 0.00 0.00 0.00 0.00 36.38 34.87 1h2i s VAL 63 CO 0.54 0.34 0.52 0.00 0.00 0.00 0.00 175.10 176.51 1h2i s TYR 65 N -1.79 -0.23 -0.07 0.00 -0.85 -0.24 -4.98 117.35 109.19 1h2i s TYR 65 Ca 0.46 -0.03 0.02 0.00 -0.52 0.00 0.00 57.07 56.99 1h2i s TYR 65 Cb -0.11 0.61 -0.03 0.00 0.38 0.00 0.00 41.96 42.81 1h2i s TYR 65 CO 0.22 -0.77 -0.10 0.42 -1.52 0.00 0.00 175.55 173.79 1h2i s ILE 66 N -3.31 3.40 0.28 -3.49 1.01 -1.26 -0.98 121.20 116.85 1h2i s ILE 66 Ca 0.09 -0.59 -0.29 0.00 0.00 0.00 0.00 60.65 59.87 1h2i s ILE 66 Cb -0.02 -2.38 -0.09 0.00 0.01 0.00 0.00 42.46 39.98 1h2i s ILE 66 CO -0.02 0.58 1.06 -1.61 0.00 0.00 0.00 174.94 174.95 1h2i s GLU 67 N -0.61 4.64 0.30 2.79 2.02 -1.26 -4.90 118.70 121.68 1h2i s GLU 67 Ca 0.09 1.70 0.06 0.00 0.02 0.00 0.00 54.97 56.83 1h2i s GLU 67 Cb -0.11 -3.14 0.79 0.00 0.10 0.00 0.00 34.13 31.78 1h2i s GLU 67 CO 0.02 0.25 1.69 0.78 0.02 0.00 0.00 175.26 178.01 1h2i h GLY 68 N 3.74 1.63 2.00 -1.39 0.00 -1.99 0.33 103.07 107.39 1h2i h GLY 68 Ca -0.46 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 46.64 1h2i h GLY 68 CO 0.67 -0.31 -0.22 1.12 0.00 0.00 0.00 176.54 177.80 1h2i h HIS 69 N 0.39 0.00 -0.23 5.60 2.07 -2.00 0.26 115.15 121.24 1h2i h HIS 69 Ca 0.59 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.92 1h2i h HIS 69 Cb 1.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.16 1h2i h HIS 69 CO -0.12 0.22 -0.63 0.00 -3.07 0.00 0.00 177.93 174.34 1h2i h ARG 70 N 0.00 0.83 -0.69 5.12 2.47 -1.32 -2.44 114.38 118.35 1h2i h ARG 70 Ca -0.00 -0.58 -0.06 0.00 -1.26 0.00 0.00 59.98 58.08 1h2i h ARG 70 Cb 0.47 0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.86 1h2i h ARG 70 CO 0.03 1.21 0.21 0.28 0.56 0.00 0.00 179.97 182.26 1h2i h VAL 71 N 0.59 1.26 -0.52 2.04 2.07 -0.98 0.12 116.25 120.82 1h2i h VAL 71 Ca -0.01 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.62 1h2i h VAL 71 Cb 1.25 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 1h2i h VAL 71 CO 0.13 0.35 0.33 0.40 0.02 0.00 0.00 177.57 178.81 1h2i h ILE 72 N 1.02 1.11 -0.12 4.57 2.04 -0.92 0.24 117.51 125.45 1h2i h ILE 72 Ca 0.22 -0.23 -0.13 0.00 1.00 0.00 0.00 64.86 65.72 1h2i h ILE 72 Cb 0.31 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1h2i h ILE 72 CO -0.01 0.12 -0.50 0.78 0.00 0.00 0.00 178.15 178.55 1h2i h ASN 73 N 0.68 0.35 -0.06 1.72 2.35 -1.12 -0.46 115.58 119.03 1h2i h ASN 73 Ca 0.20 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1h2i h ASN 73 Cb -0.04 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 1h2i h ASN 73 CO -0.06 0.79 0.04 -0.07 -1.65 0.00 0.00 177.43 176.48 1h2i h LEU 74 N 0.25 0.08 -0.27 1.61 3.38 -0.10 -0.79 115.31 119.46 1h2i h LEU 74 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1h2i h LEU 74 Cb 0.97 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1h2i h LEU 74 CO 0.08 0.07 0.17 0.00 0.09 0.00 0.00 178.44 178.85 1h2i h ALA 75 N 1.01 0.34 -0.93 1.53 0.00 -0.67 0.25 119.26 120.78 1h2i h ALA 75 Ca 0.02 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1h2i h ALA 75 Cb 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1h2i h ALA 75 CO -0.00 -0.17 0.62 -0.91 0.00 0.00 0.00 179.25 178.78 1h2i h ASN 76 N 0.35 1.04 0.66 0.00 2.35 -0.81 0.27 115.58 119.44 1h2i h ASN 76 Ca 0.10 -0.02 -0.20 0.00 -0.55 0.00 0.00 56.30 55.63 1h2i h ASN 76 Cb -0.01 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 1h2i h ASN 76 CO -0.02 0.73 -0.91 -0.33 -1.65 0.00 0.00 177.43 175.25 1h2i h GLU 77 N 1.21 0.15 -0.10 0.81 4.39 -0.83 0.38 114.58 120.59 1h2i h GLU 77 Ca 0.36 -0.18 -0.15 0.00 0.34 0.00 0.00 59.36 59.73 1h2i h GLU 77 Cb -0.05 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1h2i h GLU 77 CO -0.10 0.96 -0.52 1.98 -1.16 0.00 0.00 179.01 180.17 1h2i h MET 78 N 0.08 0.53 -0.00 2.33 4.05 -0.51 -3.37 114.93 118.03 1h2i h MET 78 Ca -0.04 -0.43 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 1h2i h MET 78 Cb 1.55 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 32.44 1h2i h MET 78 CO 0.13 1.06 -0.28 1.19 0.23 0.00 0.00 176.91 179.25 1h2i n PHE 79 N -4.22 0.00 0.00 1.39 3.72 0.05 -4.98 117.46 113.42 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 0.61 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.15 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 1.01 0.50 0.34 1.37 0.00 0.13 -3.12 105.19 105.43 1h2i n GLY 80 Ca 0.02 -1.56 0.18 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.31 1.61 -0.00 -1.89 -0.19 116.97 116.20 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 -3.50 3.70 -0.35 0.10 2.04 -1.26 -4.54 115.26 111.44 1h2i n ASN 82 Ca -0.00 -2.71 0.09 0.00 -0.44 0.00 0.00 54.58 51.52 1h2i n ASN 82 Cb 0.27 -0.46 -0.02 0.00 -2.53 0.00 0.00 39.78 37.04 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 -0.14 -0.13 3.17 4.83 0.00 -0.08 -4.72 105.19 108.12 1h2i n GLY 83 Ca 0.19 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.27 0.17 0.19 1.61 1.48 -1.26 -1.72 118.94 117.15 1h2i s TRP 84 Ca 0.14 -0.52 -0.11 0.00 -1.06 0.00 0.00 56.10 54.55 1h2i s TRP 84 Cb 0.15 -0.10 -0.00 0.00 -1.16 0.00 0.00 33.47 32.36 1h2i s TRP 84 CO 0.53 -0.46 0.36 0.00 -4.06 0.00 0.00 176.95 173.32 1h2i s ALA 85 N -3.23 -0.13 -0.06 2.67 0.00 0.17 -4.95 121.76 116.24 1h2i s ALA 85 Ca 0.00 -0.83 -0.18 0.00 0.00 0.00 0.00 51.96 50.95 1h2i s ALA 85 Cb 0.02 0.94 0.04 0.00 0.00 0.00 0.00 23.12 24.12 1h2i s ALA 85 CO -0.08 -0.72 0.41 -3.38 0.00 0.00 0.00 175.76 172.00 1h2i s HIS 86 N -3.98 -0.35 0.09 0.00 -3.43 -1.26 -0.06 115.29 106.31 1h2i s HIS 86 Ca 0.19 0.67 0.01 0.00 -0.80 0.00 0.00 55.06 55.12 1h2i s HIS 86 Cb 0.02 0.17 -0.04 0.00 -1.43 0.00 0.00 32.58 31.30 1h2i s HIS 86 CO 0.02 -0.39 -0.06 -1.54 -2.00 0.00 0.00 174.74 170.78 1h2i s SER 87 N -0.88 1.01 -0.47 7.38 1.04 -0.35 -4.97 113.70 116.46 1h2i s SER 87 Ca -0.09 -1.01 -0.15 0.00 0.48 0.00 0.00 55.95 55.18 1h2i s SER 87 Cb -0.04 0.12 0.07 0.00 0.10 0.00 0.00 66.02 66.27 1h2i s SER 87 CO 0.04 -0.49 0.39 -0.63 0.98 0.00 0.00 173.24 173.53 1h2i s ILE 88 N -3.68 5.24 0.32 -1.02 1.01 -1.26 -1.04 121.20 120.76 1h2i s ILE 88 Ca 0.11 -1.04 0.13 0.00 0.00 0.00 0.00 60.65 59.85 1h2i s ILE 88 Cb 0.06 -4.12 0.06 0.00 0.01 0.00 0.00 42.46 38.47 1h2i s ILE 88 CO -0.06 -0.57 1.75 0.71 0.00 0.00 0.00 174.94 176.77 1h2i h THR 89 N 5.75 1.28 -1.34 2.92 1.35 -1.05 -3.46 112.91 118.36 1h2i h THR 89 Ca -0.28 -1.59 0.14 0.00 -0.55 0.00 0.00 66.41 64.13 1h2i h THR 89 Cb 1.11 1.87 -0.26 0.00 -1.73 0.00 0.00 68.15 69.14 1h2i h THR 89 CO 0.87 0.45 0.70 -1.58 -0.25 0.00 0.00 175.52 175.71 1h2i s GLN 90 N -3.92 0.34 -0.06 4.72 0.74 -1.21 -4.99 119.66 115.28 1h2i s GLN 90 Ca -0.02 0.16 0.01 0.00 0.05 0.00 0.00 55.36 55.57 1h2i s GLN 90 Cb 0.13 0.16 0.02 0.00 1.10 0.00 0.00 33.01 34.43 1h2i s GLN 90 CO 0.73 -0.09 -0.08 -1.14 -0.55 0.00 0.00 175.29 174.16 1h2i s GLN 91 N -0.71 1.24 -0.05 1.67 0.74 -1.26 -0.29 119.66 121.00 1h2i s GLN 91 Ca 0.04 -0.24 0.02 0.00 0.05 0.00 0.00 55.36 55.23 1h2i s GLN 91 Cb -0.02 -1.14 0.01 0.00 1.10 0.00 0.00 33.01 32.96 1h2i s GLN 91 CO -0.05 -0.06 -0.11 1.21 -0.55 0.00 0.00 175.29 175.73 1h2i s ASN 92 N 0.92 1.63 -0.39 6.67 3.84 0.73 -4.99 114.94 123.34 1h2i s ASN 92 Ca -0.11 -0.27 -0.26 0.00 0.21 0.00 0.00 52.86 52.44 1h2i s ASN 92 Cb -0.15 -0.68 0.02 0.00 -0.55 0.00 0.00 41.25 39.89 1h2i s ASN 92 CO 0.01 0.04 0.93 -0.69 -2.79 0.00 0.00 177.10 174.59 1h2i s VAL 93 N 0.55 4.55 0.08 -5.21 1.01 -1.26 -0.89 120.40 119.23 1h2i s VAL 93 Ca -0.11 1.07 -0.16 0.00 0.00 0.00 0.00 61.98 62.77 1h2i s VAL 93 Cb -0.14 -4.36 -0.11 0.00 0.00 0.00 0.00 36.38 31.76 1h2i s VAL 93 CO 0.03 -0.62 1.37 0.44 0.00 0.00 0.00 175.10 176.31 1h2i h ASP 94 N 8.65 0.69 -4.57 3.32 3.45 -0.60 -3.48 116.42 123.88 1h2i h ASP 94 Ca -0.23 -0.51 0.06 0.00 0.43 0.00 0.00 57.03 56.78 1h2i h ASP 94 Cb 1.08 -0.20 -0.18 0.00 -0.56 0.00 0.00 39.33 39.47 1h2i h ASP 94 CO 0.99 1.07 0.44 0.72 -1.57 0.00 0.00 179.24 180.89 1h2i s PHE 95 N -4.19 -0.42 -0.30 4.55 -0.12 -1.17 -4.99 117.98 111.34 1h2i s PHE 95 Ca -0.13 0.48 -0.03 0.00 -0.05 0.00 0.00 56.93 57.21 1h2i s PHE 95 Cb 0.08 0.50 0.10 0.00 -0.63 0.00 0.00 43.02 43.06 1h2i s PHE 95 CO 0.82 -0.52 0.12 0.08 -0.05 0.00 0.00 175.22 175.66 1h2i s VAL 96 N -2.31 0.36 -0.07 -2.49 1.01 -1.26 -2.54 120.40 113.10 1h2i s VAL 96 Ca 0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 1h2i s VAL 96 Cb -0.01 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1h2i s VAL 96 CO -0.04 -0.71 -0.01 -1.81 0.00 0.00 0.00 175.10 172.53 1h2i s ASP 97 N 1.88 5.10 -0.31 3.32 1.01 0.24 -4.94 116.67 122.96 1h2i s ASP 97 Ca 0.09 0.09 -0.02 0.00 0.71 0.00 0.00 52.55 53.43 1h2i s ASP 97 Cb -0.17 -1.39 0.06 0.00 1.01 0.00 0.00 42.92 42.43 1h2i s ASP 97 CO -0.32 0.36 0.02 -0.22 0.21 0.00 0.00 175.17 175.22 1h2i s LEU 98 N -0.96 4.03 0.00 1.23 2.96 -1.26 0.64 118.68 125.32 1h2i s LEU 98 Ca 0.14 -1.37 0.09 0.00 -0.22 0.00 0.00 54.13 52.77 1h2i s LEU 98 Cb -0.11 -1.72 0.15 0.00 0.50 0.00 0.00 46.19 45.01 1h2i s LEU 98 CO 0.03 -0.29 0.97 0.59 -1.32 0.00 0.00 176.35 176.33 1h2i n ASN 99 N 4.61 2.19 0.00 3.68 5.03 -0.81 -4.97 115.26 124.99 1h2i n ASN 99 Ca -0.12 -1.64 0.00 0.00 0.87 0.00 0.00 54.58 53.69 1h2i n ASN 99 Cb 0.43 -0.08 0.00 0.00 -1.02 0.00 0.00 39.78 39.11 1h2i n ASN 99 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1h2i n ASN 100 N 0.45 0.00 -0.05 6.41 3.02 -1.26 -4.91 115.26 118.91 1h2i n ASN 100 Ca 0.07 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.64 1h2i n ASN 100 Cb 0.30 0.00 0.03 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 3.25 3.53 7.41 0.00 -1.26 -5.02 105.19 113.10 1h2i n GLY 101 Ca 0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.27 1.94 -0.05 1.61 1.02 -1.26 -4.48 119.74 117.25 1h2i s LYS 102 Ca 0.06 -1.18 -0.04 0.00 0.02 0.00 0.00 55.97 54.83 1h2i s LYS 102 Cb 0.05 -2.16 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 1h2i s LYS 102 CO 0.01 0.47 0.13 -0.06 -0.92 0.00 0.00 175.35 174.99 1h2i s PHE 103 N -1.35 3.48 -0.19 3.18 0.40 0.18 -1.93 117.98 121.75 1h2i s PHE 103 Ca 0.21 0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.91 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 0.12 0.64 -0.10 0.71 0.70 0.00 0.00 175.22 177.30 1h2i s TYR 104 N -1.16 2.30 -0.05 0.36 1.51 0.21 -1.06 117.35 119.45 1h2i s TYR 104 Ca 0.21 -1.50 0.03 0.00 -1.01 0.00 0.00 57.07 54.80 1h2i s TYR 104 Cb -0.12 -1.59 0.00 0.00 -0.11 0.00 0.00 41.96 40.14 1h2i s TYR 104 CO 0.12 -0.72 -0.13 0.08 -1.11 0.00 0.00 175.55 173.78 1h2i s VAL 105 N 1.44 1.17 -0.14 0.71 1.01 0.95 -0.59 120.40 124.93 1h2i s VAL 105 Ca -0.01 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1h2i s VAL 105 Cb -0.16 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.21 1h2i s VAL 105 CO -0.08 0.35 -0.16 -0.83 0.00 0.00 0.00 175.10 174.38 1h2i s GLY 106 N 0.30 1.16 0.02 4.51 0.00 -1.05 -1.53 107.32 110.73 1h2i s GLY 106 Ca -0.08 -0.92 0.05 0.00 0.00 0.00 0.00 44.72 43.78 1h2i s GLY 106 CO 0.02 0.40 -0.16 0.14 0.00 0.00 0.00 173.10 173.50 1h2i s VAL 107 N 1.32 1.30 0.06 1.40 1.01 -0.15 0.22 120.40 125.56 1h2i s VAL 107 Ca 0.02 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.20 1h2i s VAL 107 Cb -0.13 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1h2i s VAL 107 CO -0.09 0.21 -0.25 0.00 0.00 0.00 0.00 175.10 174.98 1h2i s ALA 109 N -0.87 0.76 -0.31 0.00 0.00 -0.51 -0.19 121.76 120.63 1h2i s ALA 109 Ca 0.11 -0.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.59 1h2i s ALA 109 Cb -0.10 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.84 1h2i s ALA 109 CO 0.03 0.19 0.12 -0.06 0.00 0.00 0.00 175.76 176.03 1h2i s PHE 110 N -0.22 3.18 -0.12 0.00 0.40 0.60 -0.10 117.98 121.71 1h2i s PHE 110 Ca 0.03 -0.88 0.00 0.00 -0.60 0.00 0.00 56.93 55.49 1h2i s PHE 110 Cb -0.04 -2.31 -0.01 0.00 0.51 0.00 0.00 43.02 41.17 1h2i s PHE 110 CO -0.00 -0.56 -0.14 0.08 0.70 0.00 0.00 175.22 175.30 1h2i s VAL 111 N 1.54 2.94 -0.23 -0.44 1.01 -0.71 -0.34 120.40 124.17 1h2i s VAL 111 Ca 0.03 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 1h2i s VAL 111 Cb -0.18 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 1h2i s VAL 111 CO 0.04 0.53 -0.02 -0.60 0.00 0.00 0.00 175.10 175.06 1h2i s ARG 112 N 0.30 3.44 0.03 2.72 3.52 -0.20 -1.71 118.95 127.06 1h2i s ARG 112 Ca -0.11 -0.59 0.01 0.00 -0.13 0.00 0.00 55.73 54.91 1h2i s ARG 112 Cb -0.16 -3.08 -0.04 0.00 -1.56 0.00 0.00 34.95 30.11 1h2i s ARG 112 CO 0.06 -0.20 0.07 0.54 -0.81 0.00 0.00 175.30 174.96 1h2i s VAL 113 N 1.51 4.55 0.02 7.11 0.11 0.20 -1.21 120.40 132.68 1h2i s VAL 113 Ca 0.06 -0.59 -0.00 0.00 -2.93 0.00 0.00 61.98 58.52 1h2i s VAL 113 Cb -0.14 -3.12 -0.02 0.00 -1.53 0.00 0.00 36.38 31.57 1h2i s VAL 113 CO -0.02 0.26 -0.02 -1.58 -3.33 0.00 0.00 175.10 170.41 1h2i s GLN 114 N -1.98 0.29 0.39 1.54 0.74 0.92 -2.12 119.66 119.44 1h2i s GLN 114 Ca 0.25 -0.56 0.06 0.00 0.05 0.00 0.00 55.36 55.16 1h2i s GLN 114 Cb -0.12 0.10 -0.00 0.00 1.10 0.00 0.00 33.01 34.09 1h2i s GLN 114 CO 0.17 -0.05 0.54 -0.51 -0.55 0.00 0.00 175.29 174.89 1h2i s LEU 115 N -1.34 3.80 0.46 3.68 1.02 0.11 0.46 118.68 126.87 1h2i s LEU 115 Ca -0.15 -0.17 0.31 0.00 0.02 0.00 0.00 54.13 54.15 1h2i s LEU 115 Cb -0.09 -2.79 1.67 0.00 0.02 0.00 0.00 46.19 45.00 1h2i s LEU 115 CO -0.01 -0.60 1.96 0.07 0.02 0.00 0.00 176.35 177.79 1h2i h LYS 116 N 0.71 0.00 -0.50 1.70 2.10 -1.62 0.11 116.57 119.07 1h2i h LYS 116 Ca -0.44 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.12 1h2i h LYS 116 Cb 1.26 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.57 1h2i h LYS 116 CO 0.51 0.00 -0.04 0.22 -2.00 0.00 0.00 179.45 178.15 1h2i h ASP 117 N 0.00 0.85 0.00 7.07 -0.00 -1.84 0.16 116.42 122.66 1h2i h ASP 117 Ca 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 57.03 56.80 1h2i h ASP 117 Cb 0.04 -0.23 0.00 0.00 -0.00 0.00 0.00 39.33 39.14 1h2i h ASP 117 CO 0.00 0.93 0.00 0.61 -0.00 0.00 0.00 179.24 180.78 1h2i n GLY 118 N -0.51 0.96 3.77 -0.78 0.00 0.37 -4.56 105.19 104.44 1h2i n GLY 118 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.89 5.31 0.18 1.61 1.04 -1.26 -4.77 113.70 113.92 1h2i s SER 119 Ca 0.00 2.04 -0.22 0.00 0.48 0.00 0.00 55.95 58.25 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 -1.49 0.60 -0.72 0.98 0.00 0.00 173.24 172.61 1h2i s TYR 120 N -2.19 -0.46 -0.05 5.02 -0.85 -1.26 -0.71 117.35 116.85 1h2i s TYR 120 Ca 0.68 0.20 -0.07 0.00 -0.52 0.00 0.00 57.07 57.37 1h2i s TYR 120 Cb -0.21 0.56 0.01 0.00 0.38 0.00 0.00 41.96 42.70 1h2i s TYR 120 CO 0.37 -0.90 0.18 -1.01 -1.52 0.00 0.00 175.55 172.68 1h2i s HIS 121 N -3.78 -0.14 0.01 -3.49 3.76 -0.90 -5.00 115.29 105.75 1h2i s HIS 121 Ca 0.03 0.34 0.05 0.00 -0.15 0.00 0.00 55.06 55.32 1h2i s HIS 121 Cb -0.01 0.04 -0.02 0.00 1.11 0.00 0.00 32.58 33.70 1h2i s HIS 121 CO -0.10 -0.16 -0.15 -2.00 -0.85 0.00 0.00 174.74 171.48 1h2i s GLU 122 N -0.34 1.13 0.32 1.40 2.12 -1.26 -0.63 118.70 121.43 1h2i s GLU 122 Ca -0.04 -0.65 -0.05 0.00 0.36 0.00 0.00 54.97 54.58 1h2i s GLU 122 Cb -0.03 -1.12 0.00 0.00 0.26 0.00 0.00 34.13 33.24 1h2i s GLU 122 CO 0.01 0.30 0.47 0.34 -0.54 0.00 0.00 175.26 175.83 1h2i s ASP 123 N -0.71 0.64 0.02 -1.70 -1.08 -0.69 -4.88 116.67 108.26 1h2i s ASP 123 Ca 0.04 -1.36 0.00 0.00 -0.52 0.00 0.00 52.55 50.72 1h2i s ASP 123 Cb -0.07 0.64 -0.04 0.00 -1.46 0.00 0.00 42.92 41.99 1h2i s ASP 123 CO 0.00 -1.25 0.11 0.68 0.52 0.00 0.00 175.17 175.23 1h2i s VAL 124 N -3.28 4.85 0.20 1.11 -7.23 -1.26 -1.74 120.40 113.05 1h2i s VAL 124 Ca 0.29 -0.47 0.09 0.00 -1.81 0.00 0.00 61.98 60.09 1h2i s VAL 124 Cb -0.00 -3.27 -0.05 0.00 0.56 0.00 0.00 36.38 33.62 1h2i s VAL 124 CO 0.17 0.27 -0.18 -0.83 -0.31 0.00 0.00 175.10 174.22 1h2i s GLY 125 N -2.02 1.54 0.07 2.32 0.00 0.85 -4.49 107.32 105.60 1h2i s GLY 125 Ca 0.26 -1.64 0.06 0.00 0.00 0.00 0.00 44.72 43.40 1h2i s GLY 125 CO 0.18 -1.71 -0.16 -0.47 0.00 0.00 0.00 173.10 170.95 1h2i s TYR 126 N -2.38 1.35 -0.04 1.90 5.04 -1.26 -1.43 117.35 120.53 1h2i s TYR 126 Ca 0.21 -0.43 0.03 0.00 -2.44 0.00 0.00 57.07 54.44 1h2i s TYR 126 Cb -0.04 -0.76 0.00 0.00 0.35 0.00 0.00 41.96 41.51 1h2i s TYR 126 CO 0.09 0.08 -0.13 0.20 -1.34 0.00 0.00 175.55 174.45 1h2i s GLY 127 N -1.68 0.73 0.03 8.97 0.00 0.15 -3.83 107.32 111.68 1h2i s GLY 127 Ca 0.00 -0.49 0.05 0.00 0.00 0.00 0.00 44.72 44.28 1h2i s GLY 127 CO 0.03 -0.18 -0.14 0.14 0.00 0.00 0.00 173.10 172.95 1h2i s VAL 128 N 0.17 1.09 -0.14 1.40 1.01 -1.26 -0.97 120.40 121.70 1h2i s VAL 128 Ca -0.04 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 1h2i s VAL 128 Cb -0.11 -0.98 0.07 0.00 0.00 0.00 0.00 36.38 35.36 1h2i s VAL 128 CO 0.01 0.05 0.17 -0.55 0.00 0.00 0.00 175.10 174.78 1h2i s SER 129 N -1.01 1.29 -0.10 3.32 0.15 -0.58 -4.51 113.70 112.26 1h2i s SER 129 Ca 0.02 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1h2i s SER 129 Cb -0.07 0.20 0.02 0.00 -1.71 0.00 0.00 66.02 64.46 1h2i s SER 129 CO 0.01 -0.29 -0.08 -1.61 1.20 0.00 0.00 173.24 172.47 1h2i s GLU 130 N 2.27 1.50 0.00 5.44 2.02 -1.26 -0.04 118.70 128.64 1h2i s GLU 130 Ca 0.04 -0.26 0.00 0.00 0.02 0.00 0.00 54.97 54.77 1h2i s GLU 130 Cb -0.14 -1.51 0.00 0.00 0.10 0.00 0.00 34.13 32.58 1h2i s GLU 130 CO -0.09 -0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.40 1h2i n GLY 131 N 4.72 2.32 3.75 -1.39 0.00 -0.23 -5.02 105.19 109.34 1h2i n GLY 131 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 2.92 -0.00 0.99 1.43 -1.25 -4.56 118.68 118.20 1h2i s LEU 132 Ca 0.00 1.82 0.20 0.00 -1.03 0.00 0.00 54.13 55.12 1h2i s LEU 132 Cb 0.00 -4.46 -0.22 0.00 0.03 0.00 0.00 46.19 41.54 1h2i s LEU 132 CO 0.00 -2.22 0.81 0.29 0.23 0.00 0.00 176.35 175.47 1h2i n LYS 133 N -3.64 0.49 -3.26 1.70 5.02 -1.26 -0.64 118.16 116.56 1h2i n LYS 133 Ca 0.09 -0.01 -0.40 0.00 -2.02 0.00 0.00 58.31 55.97 1h2i n LYS 133 Cb 0.53 -1.44 -0.08 0.00 -0.02 0.00 0.00 35.03 34.03 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 -2.97 6.40 0.04 4.39 0.15 -1.26 -4.83 113.70 115.61 1h2i s SER 134 Ca 0.06 0.46 -0.25 0.00 0.70 0.00 0.00 55.95 56.93 1h2i s SER 134 Cb 0.15 -2.27 -0.17 0.00 -1.71 0.00 0.00 66.02 62.02 1h2i s SER 134 CO 0.81 -0.27 1.51 0.50 1.20 0.00 0.00 173.24 176.99 1h2i h LYS 135 N 8.06 -0.03 -0.09 5.44 3.64 -1.98 -1.13 116.57 130.48 1h2i h LYS 135 Ca -0.29 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.13 1h2i h LYS 135 Cb 1.14 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.92 1h2i h LYS 135 CO 0.70 0.20 -0.19 0.00 -2.27 0.00 0.00 179.45 177.90 1h2i h ALA 136 N 0.72 -0.16 -0.38 5.00 0.00 -1.99 0.46 119.26 122.91 1h2i h ALA 136 Ca -0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1h2i h ALA 136 Cb 0.24 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1h2i h ALA 136 CO 0.00 -0.66 0.21 -0.07 0.00 0.00 0.00 179.25 178.73 1h2i h LEU 137 N -0.26 0.45 0.12 0.00 -0.00 -1.96 0.18 115.31 113.84 1h2i h LEU 137 Ca 0.09 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.93 1h2i h LEU 137 Cb 0.38 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 1h2i h LEU 137 CO -0.24 0.37 -0.06 0.28 -0.00 0.00 0.00 178.44 178.79 1h2i h SER 138 N 0.52 -0.13 -0.57 -0.43 0.02 -0.38 -2.10 113.55 110.47 1h2i h SER 138 Ca 0.13 -0.27 0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1h2i h SER 138 Cb 0.02 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 1h2i h SER 138 CO -0.02 0.20 0.35 -0.07 -1.14 0.00 0.00 176.83 176.15 1h2i h LEU 139 N -0.48 0.58 -0.29 5.07 -0.00 -0.64 -1.84 115.31 117.71 1h2i h LEU 139 Ca -0.02 -0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.88 1h2i h LEU 139 Cb 0.39 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.90 1h2i h LEU 139 CO 0.03 0.41 0.16 -0.08 -0.00 0.00 0.00 178.44 178.95 1h2i h GLU 140 N 0.70 0.31 -0.33 1.13 4.81 -0.92 -0.74 114.58 119.54 1h2i h GLU 140 Ca 0.23 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1h2i h GLU 140 Cb -0.00 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1h2i h GLU 140 CO -0.09 0.21 0.18 -0.22 -0.73 0.00 0.00 179.01 178.36 1h2i h LYS 141 N 0.32 0.46 -0.57 1.92 3.64 -1.12 -2.26 116.57 118.96 1h2i h LYS 141 Ca 0.12 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 1h2i h LYS 141 Cb 0.02 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1h2i h LYS 141 CO -0.07 0.39 -0.07 0.00 -2.27 0.00 0.00 179.45 177.43 1h2i h ALA 142 N 1.05 0.79 -0.28 5.00 0.00 -1.19 -1.77 119.26 122.85 1h2i h ALA 142 Ca 0.12 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1h2i h ALA 142 Cb 0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1h2i h ALA 142 CO -0.02 0.68 -0.26 0.00 0.00 0.00 0.00 179.25 179.65 1h2i h ARG 143 N 0.95 0.67 -0.45 0.00 3.08 -1.06 -2.04 114.38 115.53 1h2i h ARG 143 Ca 0.15 -0.35 -0.05 0.00 0.07 0.00 0.00 59.98 59.81 1h2i h ARG 143 Cb 0.64 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1h2i h ARG 143 CO 0.04 0.95 0.09 0.87 -1.07 0.00 0.00 179.97 180.85 1h2i h LYS 144 N 0.40 0.74 -0.01 0.04 1.57 -1.41 -2.72 116.57 115.17 1h2i h LYS 144 Ca 0.05 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.54 1h2i h LYS 144 Cb 0.82 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1h2i h LYS 144 CO 0.07 0.75 -0.46 0.93 -0.57 0.00 0.00 179.45 180.16 1h2i h GLU 145 N 0.60 0.03 -0.50 3.15 5.08 -1.32 -2.30 114.58 119.33 1h2i h GLU 145 Ca 0.14 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1h2i h GLU 145 Cb 0.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1h2i h GLU 145 CO 0.01 0.49 0.27 0.00 -1.00 0.00 0.00 179.01 178.78 1h2i h ALA 146 N 1.51 0.64 0.07 3.43 0.00 -1.14 0.20 119.26 123.98 1h2i h ALA 146 Ca -0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1h2i h ALA 146 Cb 0.83 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1h2i h ALA 146 CO 0.06 0.17 -0.04 0.28 0.00 0.00 0.00 179.25 179.73 1h2i h VAL 147 N 0.67 1.08 -0.78 0.00 2.07 -1.21 -0.15 116.25 117.92 1h2i h VAL 147 Ca 0.18 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1h2i h VAL 147 Cb 0.06 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1h2i h VAL 147 CO -0.03 0.13 0.42 0.74 0.02 0.00 0.00 177.57 178.86 1h2i h THR 148 N -0.34 1.23 -0.54 2.57 2.02 -1.33 0.11 112.91 116.64 1h2i h THR 148 Ca -0.01 -0.59 -0.04 0.00 0.77 0.00 0.00 66.41 66.54 1h2i h THR 148 Cb 0.29 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1h2i h THR 148 CO 0.02 0.26 0.19 -0.78 0.37 0.00 0.00 175.52 175.57 1h2i h ASP 149 N 1.10 0.77 -0.42 4.18 -0.00 -0.46 0.59 116.42 122.17 1h2i h ASP 149 Ca 0.28 -0.19 -0.12 0.00 -0.00 0.00 0.00 57.03 57.00 1h2i h ASP 149 Cb 0.04 -0.20 -0.02 0.00 -0.00 0.00 0.00 39.33 39.15 1h2i h ASP 149 CO -0.04 0.76 -0.17 1.23 -0.00 0.00 0.00 179.24 181.01 1h2i h GLY 150 N 0.74 0.99 0.97 -0.78 0.00 -0.38 -0.19 103.07 104.41 1h2i h GLY 150 Ca 0.18 -0.82 -0.05 0.00 0.00 0.00 0.00 47.33 46.64 1h2i h GLY 150 CO -0.01 0.75 0.11 -2.00 0.00 0.00 0.00 176.54 175.39 1h2i h LEU 151 N 0.80 0.73 -0.86 3.11 5.85 -0.47 -0.26 115.31 124.20 1h2i h LEU 151 Ca 0.12 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1h2i h LEU 151 Cb 0.71 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1h2i h LEU 151 CO 0.05 0.77 0.30 0.11 -0.34 0.00 0.00 178.44 179.33 1h2i h LYS 152 N 0.65 1.13 -0.37 1.25 1.57 -0.59 -1.81 116.57 118.41 1h2i h LYS 152 Ca 0.15 -0.20 -0.15 0.00 -1.87 0.00 0.00 60.65 58.57 1h2i h LYS 152 Cb 0.33 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1h2i h LYS 152 CO 0.00 0.92 -0.37 0.00 -0.57 0.00 0.00 179.45 179.43 1h2i h ARG 153 N 1.10 0.87 -0.15 3.15 3.08 -0.61 -2.39 114.38 119.43 1h2i h ARG 153 Ca 0.25 -0.45 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 1h2i h ARG 153 Cb 0.22 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1h2i h ARG 153 CO -0.02 1.09 0.09 0.00 -1.07 0.00 0.00 179.97 180.06 1h2i h ALA 154 N 0.85 0.19 -0.23 0.04 0.00 -0.89 -2.74 119.26 116.49 1h2i h ALA 154 Ca 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1h2i h ALA 154 Cb 0.95 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1h2i h ALA 154 CO 0.09 -0.29 0.13 -0.07 0.00 0.00 0.00 179.25 179.11 1h2i h LEU 155 N 0.17 0.27 -1.87 0.00 4.07 -1.26 -2.24 115.31 114.46 1h2i h LEU 155 Ca 0.05 -0.01 0.20 0.00 0.08 0.00 0.00 57.88 58.20 1h2i h LEU 155 Cb 0.03 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 41.66 1h2i h LEU 155 CO -0.01 0.22 0.52 0.03 -1.08 0.00 0.00 178.44 178.12 1h2i h ARG 156 N 0.32 0.11 -0.01 1.13 3.08 -1.10 -1.60 114.38 116.30 1h2i h ARG 156 Ca 0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1h2i h ARG 156 Cb 0.00 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1h2i h ARG 156 CO -0.02 0.08 0.02 0.77 -1.07 0.00 0.00 179.97 179.75 1h2i h SER 157 N 0.12 0.00 1.42 7.04 0.02 -1.49 -2.00 113.55 118.65 1h2i h SER 157 Ca 0.36 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.28 1h2i h SER 157 Cb 1.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 1h2i h SER 157 CO -0.05 0.00 -0.12 -0.26 -1.14 0.00 0.00 176.83 175.26 1h2i h PHE 158 N 0.00 0.00 0.00 3.45 -1.00 -1.49 -3.49 116.94 114.41 1h2i h PHE 158 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1h2i h PHE 158 Cb 0.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.61 1h2i h PHE 158 CO 0.00 0.12 0.00 0.41 -1.61 0.00 0.00 178.31 177.23 1h2i n GLY 159 N 0.61 -1.70 0.12 -1.45 0.00 -0.75 -4.93 105.19 97.09 1h2i n GLY 159 Ca 0.02 -1.52 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 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 0.28 -0.10 1.61 2.35 -1.42 -1.73 115.58 116.57 1h2i h ASN 160 Ca 0.00 -0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1h2i h ASN 160 Cb 0.00 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1h2i h ASN 160 CO 0.00 0.22 0.28 0.00 -1.65 0.00 0.00 177.43 176.28 1h2i h ALA 161 N 1.08 1.50 -0.51 -0.83 0.00 0.66 0.29 119.26 121.45 1h2i h ALA 161 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1h2i h ALA 161 Cb -0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1h2i h ALA 161 CO -0.02 -0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.18 1h2i n LEU 162 N -3.21 4.17 0.00 0.00 7.99 -0.88 -4.93 117.00 120.14 1h2i n LEU 162 Ca 0.00 -2.44 0.00 0.00 -0.01 0.00 0.00 56.01 53.56 1h2i n LEU 162 Cb 0.37 -0.49 0.00 0.00 -0.11 0.00 0.00 43.42 43.19 1h2i n LEU 162 CO 0.19 0.78 0.00 0.61 -1.51 0.00 0.00 177.39 177.46 1h2i n GLY 163 N 0.70 1.74 0.31 -0.72 0.00 0.10 -3.88 105.19 103.44 1h2i n GLY 163 Ca 0.22 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.44 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 0.48 1.61 -0.00 -1.30 -1.72 115.58 114.65 1h2i h ASN 164 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 56.30 56.10 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 0.00 -0.87 0.00 -0.00 0.00 0.00 177.43 176.56 1h2i n ILE 166 N -3.71 0.00 -0.44 0.00 0.00 -0.65 0.17 119.36 114.74 1h2i n ILE 166 Ca -0.04 1.19 0.06 0.00 0.00 0.00 0.00 62.75 63.95 1h2i n ILE 166 Cb 0.80 -2.00 0.17 0.00 0.00 0.00 0.00 39.64 38.60 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 -3.44 3.08 -4.49 9.51 -0.00 -1.26 -4.89 117.00 115.51 1h2i n LEU 167 Ca 0.33 -2.36 -0.43 0.00 -0.00 0.00 0.00 56.01 53.56 1h2i n LEU 167 Cb 1.58 -0.31 -0.04 0.00 -0.00 0.00 0.00 43.42 44.66 1h2i n LEU 167 CO 0.33 0.69 0.77 -0.62 -0.00 0.00 0.00 177.39 178.56 1h2i s ASP 168 N -1.37 6.25 0.44 1.45 3.68 0.13 -4.93 116.67 122.31 1h2i s ASP 168 Ca 0.27 -0.65 0.24 0.00 2.13 0.00 0.00 52.55 54.53 1h2i s ASP 168 Cb 0.18 -2.43 1.24 0.00 -1.45 0.00 0.00 42.92 40.45 1h2i s ASP 168 CO 0.11 -1.36 1.78 0.11 0.13 0.00 0.00 175.17 175.94 1h2i h LYS 169 N 9.47 0.26 0.00 4.34 1.57 -1.90 0.71 116.57 131.02 1h2i h LYS 169 Ca -0.27 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.37 1h2i h LYS 169 Cb 1.07 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 1h2i h LYS 169 CO 1.14 0.17 -0.56 -0.44 -0.57 0.00 0.00 179.45 179.20 1h2i h ASP 170 N 0.27 0.00 -0.02 0.86 3.32 -1.96 -0.07 116.42 118.83 1h2i h ASP 170 Ca 0.59 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.51 1h2i h ASP 170 Cb 1.74 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.30 1h2i h ASP 170 CO -0.22 0.56 -0.48 0.22 -1.72 0.00 0.00 179.24 177.59 1h2i h TYR 171 N 0.00 0.52 -0.68 4.55 3.20 -1.25 -2.19 116.97 121.12 1h2i h TYR 171 Ca -0.01 -0.27 0.02 0.00 3.14 0.00 0.00 58.73 61.61 1h2i h TYR 171 Cb 1.02 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.19 1h2i h TYR 171 CO 0.00 1.07 0.44 -0.07 -1.64 0.00 0.00 178.16 177.96 1h2i h LEU 172 N -0.17 0.73 0.07 2.82 3.38 -1.03 -0.83 115.31 120.28 1h2i h LEU 172 Ca -0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1h2i h LEU 172 Cb 1.19 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1h2i h LEU 172 CO 0.10 0.52 -0.07 -0.09 0.09 0.00 0.00 178.44 178.99 1h2i h ARG 173 N 0.87 -0.14 0.00 1.13 2.43 -1.02 -1.36 114.38 116.29 1h2i h ARG 173 Ca 0.26 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1h2i h ARG 173 Cb -0.04 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1h2i h ARG 173 CO -0.08 -0.10 0.00 -1.13 -1.51 0.00 0.00 179.97 177.15 1h2i n SER 174 N -5.17 0.09 0.11 -3.80 3.41 -0.83 -2.25 113.62 105.18 1h2i n SER 174 Ca -0.07 0.52 -0.18 0.00 -0.26 0.00 0.00 58.87 58.88 1h2i n SER 174 Cb 0.10 -0.54 -0.14 0.00 -0.26 0.00 0.00 64.21 63.37 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 0.52 -1.32 1.04 3.38 -0.07 -3.28 115.31 115.57 1h2i h LEU 175 Ca 0.00 -0.56 -0.06 0.00 0.09 0.00 0.00 57.88 57.35 1h2i h LEU 175 Cb 0.32 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1h2i h LEU 175 CO 0.00 1.44 -0.21 0.78 0.09 0.00 0.00 178.44 180.55 1h2i h ASN 176 N 0.09 0.19 0.00 -0.43 2.35 -0.92 -3.11 115.58 113.75 1h2i h ASN 176 Ca -0.17 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1h2i h ASN 176 Cb 2.02 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 40.34 1h2i h ASN 176 CO 0.22 0.42 0.00 0.29 -1.65 0.00 0.00 177.43 176.70 1h2i n LYS 177 N -4.22 0.75 -4.20 0.81 5.02 -1.18 -4.73 118.16 110.41 1h2i n LYS 177 Ca -0.01 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.11 1h2i n LYS 177 Cb 0.32 -1.13 -0.13 0.00 -0.02 0.00 0.00 35.03 34.07 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 2.16 0.42 -0.35 1.43 -1.18 -5.09 118.68 116.07 1h2i s LEU 178 Ca 0.00 -0.40 -0.25 0.00 -1.03 0.00 0.00 54.13 52.44 1h2i s LEU 178 Cb 0.00 -0.37 -0.10 0.00 0.03 0.00 0.00 46.19 45.75 1h2i s LEU 178 CO 0.00 -0.04 1.25 -2.65 0.23 0.00 0.00 176.35 175.14 1h2i n PRO 179 N 2.00 1.89 -0.92 1.29 -0.02 -1.26 -4.93 135.00 133.05 1h2i n PRO 179 Ca -0.18 0.67 -0.33 0.00 -2.02 0.00 0.00 63.50 61.64 1h2i n PRO 179 Cb 0.56 -2.35 0.14 0.00 -0.02 0.00 0.00 33.50 31.82 1h2i n PRO 179 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1h2i n ARG 180 N 0.07 -0.10 -5.06 -0.52 1.85 -1.26 -4.97 116.66 106.68 1h2i n ARG 180 Ca 0.07 0.04 -0.32 0.00 -1.00 0.00 0.00 57.85 56.64 1h2i n ARG 180 Cb 0.39 -2.30 -0.16 0.00 -1.05 0.00 0.00 32.46 29.35 1h2i n ARG 180 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 1h2i s GLN 181 N -4.14 3.06 0.62 2.89 -2.07 -1.26 -5.11 119.66 113.66 1h2i s GLN 181 Ca 0.68 -0.81 -0.18 0.00 -1.82 0.00 0.00 55.36 53.24 1h2i s GLN 181 Cb -0.26 -2.40 -0.02 0.00 -1.09 0.00 0.00 33.01 29.24 1h2i s GLN 181 CO 0.56 0.25 1.18 -0.48 -1.32 0.00 0.00 175.29 175.48 1h2i s LEU 182 N 0.21 3.57 0.32 2.60 2.34 -1.26 -4.93 118.68 121.53 1h2i s LEU 182 Ca -0.12 2.30 -0.29 0.00 0.06 0.00 0.00 54.13 56.08 1h2i s LEU 182 Cb -0.16 -4.59 -0.13 0.00 -0.56 0.00 0.00 46.19 40.75 1h2i s LEU 182 CO 0.07 -1.68 1.29 -2.65 -1.06 0.00 0.00 176.35 172.32 1h2i n PRO 183 N -1.90 2.07 -2.69 1.48 -0.02 -1.26 -4.96 135.00 127.72 1h2i n PRO 183 Ca 0.13 0.73 -0.40 0.00 -2.02 0.00 0.00 63.50 61.94 1h2i n PRO 183 Cb 0.50 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 1h2i n PRO 183 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1h2i s LEU 184 N -0.74 4.59 -0.07 2.45 1.98 -1.26 -5.03 118.68 120.59 1h2i s LEU 184 Ca 0.58 2.01 -0.12 0.00 -2.89 0.00 0.00 54.13 53.71 1h2i s LEU 184 Cb -0.59 -3.66 -0.05 0.00 0.66 0.00 0.00 46.19 42.55 1h2i s LEU 184 CO 0.60 0.06 0.30 -1.61 -1.89 0.00 0.00 176.35 173.81 1h2i s GLU 185 N -1.35 3.83 0.00 1.98 0.41 -1.26 -5.07 118.70 117.25 1h2i s GLU 185 Ca 0.43 0.17 -0.09 0.00 -0.41 0.00 0.00 54.97 55.07 1h2i s GLU 185 Cb -0.27 -3.25 -0.05 0.00 -1.78 0.00 0.00 34.13 28.78 1h2i s GLU 185 CO 0.33 0.63 0.31 0.08 -0.49 0.00 0.00 175.26 176.11 1h2i s VAL 186 N -0.75 5.23 -0.57 2.63 1.01 -1.26 -5.05 120.40 121.64 1h2i s VAL 186 Ca 0.19 0.37 -0.18 0.00 0.00 0.00 0.00 61.98 62.37 1h2i s VAL 186 Cb -0.14 -3.59 0.12 0.00 0.00 0.00 0.00 36.38 32.76 1h2i s VAL 186 CO 0.08 0.43 0.61 -0.62 0.00 0.00 0.00 175.10 175.61 1h2i s ASP 187 N -1.48 6.19 0.00 3.32 3.68 -1.26 -4.88 116.67 122.23 1h2i s ASP 187 Ca 0.26 -1.60 0.32 0.00 2.13 0.00 0.00 52.55 53.66 1h2i s ASP 187 Cb -0.14 -2.26 1.85 0.00 -1.45 0.00 0.00 42.92 40.92 1h2i s ASP 187 CO 0.14 -1.00 2.20 0.18 0.13 0.00 0.00 175.17 176.82 1h2i n LEU 188 N 5.84 0.01 -0.32 -1.34 4.77 -1.26 -4.29 117.00 120.42 1h2i n LEU 188 Ca -0.11 0.04 -0.08 0.00 -0.03 0.00 0.00 56.01 55.82 1h2i n LEU 188 Cb 0.41 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.39 1h2i n LEU 188 CO 0.56 0.00 0.43 0.41 -1.33 0.00 0.00 177.39 177.46 1h2i n THR 189 N -1.03 -0.51 -0.43 -5.08 -1.04 -1.26 -0.36 114.28 104.57 1h2i n THR 189 Ca 0.23 2.02 -0.13 0.00 -2.04 0.00 0.00 64.05 64.13 1h2i n THR 189 Cb 0.13 -2.52 0.14 0.00 -1.82 0.00 0.00 70.33 66.26 1h2i n THR 189 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1h2i n LYS 190 N -4.78 2.05 -1.88 -2.82 5.02 -1.26 -4.99 118.16 109.50 1h2i n LYS 190 Ca 0.02 -1.98 -0.38 0.00 -2.02 0.00 0.00 58.31 53.94 1h2i n LYS 190 Cb 0.20 -1.80 0.03 0.00 -0.02 0.00 0.00 35.03 33.43 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 -2.16 2.91 0.12 7.82 0.00 0.51 -4.92 121.76 126.04 1h2i s ALA 191 Ca 0.37 1.28 -0.31 0.00 0.00 0.00 0.00 51.96 53.29 1h2i s ALA 191 Cb 0.31 -3.53 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 1h2i s ALA 191 CO 0.08 -1.20 1.53 0.21 0.00 0.00 0.00 175.76 176.37 1h2i s LYS 192 N -2.79 4.24 0.00 0.00 2.20 -1.26 -4.90 119.74 117.24 1h2i s LYS 192 Ca 0.68 2.25 0.02 0.00 -0.36 0.00 0.00 55.97 58.55 1h2i s LYS 192 Cb -0.39 -3.32 -0.02 0.00 -1.51 0.00 0.00 37.83 32.60 1h2i s LYS 192 CO 0.46 -0.59 0.08 0.54 -0.36 0.00 0.00 175.35 175.49 1h2i n ARG 193 N 4.46 6.22 -4.27 4.03 1.74 -1.26 -5.04 116.66 122.53 1h2i n ARG 193 Ca 0.14 -0.02 -0.15 0.00 -0.77 0.00 0.00 57.85 57.04 1h2i n ARG 193 Cb 0.40 -0.59 -0.10 0.00 -1.02 0.00 0.00 32.46 31.15 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 1.15 -0.05 5.56 -0.21 -1.26 -5.07 119.66 118.67 1h2i s GLN 194 Ca 0.01 -1.53 -0.23 0.00 0.02 0.00 0.00 55.36 53.63 1h2i s GLN 194 Cb 0.01 -0.59 -0.26 0.00 1.00 0.00 0.00 33.01 33.17 1h2i s GLN 194 CO 0.06 0.01 0.97 -0.44 -2.12 0.00 0.00 175.29 173.77 1h2i h ASP 195 N 2.68 0.34 -1.71 5.90 3.45 -2.05 -3.46 116.42 121.57 1h2i h ASP 195 Ca -0.37 -0.86 -0.65 0.00 0.43 0.00 0.00 57.03 55.58 1h2i h ASP 195 Cb 1.20 -0.11 0.10 0.00 -0.56 0.00 0.00 39.33 39.96 1h2i h ASP 195 CO 0.64 1.16 -0.07 -0.11 -1.57 0.00 0.00 179.24 179.29 1h2i n LEU 196 N -4.34 0.53 -3.71 1.55 -0.00 -1.26 -4.97 117.00 104.80 1h2i n LEU 196 Ca -0.11 1.15 -0.29 0.00 -0.00 0.00 0.00 56.01 56.76 1h2i n LEU 196 Cb 0.64 -1.12 -0.13 0.00 -0.00 0.00 0.00 43.42 42.81 1h2i n LEU 196 CO 0.43 -1.96 -0.22 -1.61 -0.00 0.00 0.00 177.39 174.03 1h2i s GLU 197 N -0.94 1.45 0.11 1.96 0.41 -1.26 -5.03 118.70 115.41 1h2i s GLU 197 Ca 0.67 -2.24 -0.28 0.00 -0.41 0.00 0.00 54.97 52.70 1h2i s GLU 197 Cb -0.86 -2.44 -0.08 0.00 -1.78 0.00 0.00 34.13 28.97 1h2i s GLU 197 CO 0.56 -1.20 1.61 -1.35 -0.49 0.00 0.00 175.26 174.40 1h2i h PRO 198 N 6.41 -0.53 -0.80 0.39 0.11 -1.99 0.51 132.00 136.10 1h2i h PRO 198 Ca 0.04 0.04 0.14 0.00 0.11 0.00 0.00 66.00 66.33 1h2i h PRO 198 Cb 0.90 0.12 -0.06 0.00 0.11 0.00 0.00 31.00 32.07 1h2i h PRO 198 CO 0.51 -0.35 0.53 0.66 -0.21 0.00 0.00 178.00 179.14 1h2i h SER 199 N -0.55 0.50 -0.20 -2.05 4.64 -2.00 -0.95 113.55 112.94 1h2i h SER 199 Ca 0.03 0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.35 1h2i h SER 199 Cb 0.58 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1h2i h SER 199 CO -0.20 0.26 -0.01 0.58 -0.87 0.00 0.00 176.83 176.59 1h2i h VAL 200 N 0.53 1.26 -0.84 0.95 2.07 -1.75 -2.93 116.25 115.54 1h2i h VAL 200 Ca 0.39 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1h2i h VAL 200 Cb 0.77 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 1h2i h VAL 200 CO -0.15 0.28 0.52 -0.08 0.02 0.00 0.00 177.57 178.16 1h2i h GLU 201 N 0.12 1.13 0.00 1.57 4.57 0.36 -0.56 114.58 121.77 1h2i h GLU 201 Ca 0.06 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1h2i h GLU 201 Cb 0.42 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1h2i h GLU 201 CO 0.01 0.77 0.00 0.39 -1.18 0.00 0.00 179.01 179.01 1h2i n GLU 202 N -4.38 0.00 -0.30 1.92 1.02 -0.66 -1.01 120.64 117.22 1h2i n GLU 202 Ca 0.09 0.35 0.15 0.00 -0.02 0.00 0.00 57.16 57.73 1h2i n GLU 202 Cb 0.05 -1.26 0.29 0.00 -0.02 0.00 0.00 31.44 30.50 1h2i n GLU 202 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1h2i n ALA 203 N -1.40 0.51 0.12 0.62 0.00 -1.11 0.40 120.51 119.65 1h2i n ALA 203 Ca 0.00 0.92 -0.06 0.00 0.00 0.00 0.00 53.44 54.30 1h2i n ALA 203 Cb 0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 1h2i n ALA 203 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1h2i h ARG 204 N 0.00 -0.34 -1.13 0.00 2.43 -0.93 -2.67 114.38 111.75 1h2i h ARG 204 Ca 0.55 0.02 0.40 0.00 -0.81 0.00 0.00 59.98 60.14 1h2i h ARG 204 Cb 1.20 0.08 -0.15 0.00 -0.42 0.00 0.00 29.97 30.68 1h2i h ARG 204 CO -0.79 -0.23 0.67 -0.92 -1.51 0.00 0.00 179.97 177.20 1h2i h TYR 205 N -0.35 0.73 -0.08 2.20 3.20 0.17 0.71 116.97 123.55 1h2i h TYR 205 Ca -0.03 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1h2i h TYR 205 Cb 0.28 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 1h2i h TYR 205 CO 0.04 -0.28 0.01 0.09 -1.64 0.00 0.00 178.16 176.38 1h2i n ASN 206 N -4.97 1.77 -0.02 -2.11 3.02 -0.25 -3.67 115.26 109.03 1h2i n ASN 206 Ca 0.36 -2.13 -0.01 0.00 -0.03 0.00 0.00 54.58 52.77 1h2i n ASN 206 Cb 1.26 -0.53 -0.04 0.00 -0.61 0.00 0.00 39.78 39.86 1h2i n ASN 206 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1h2i n SER 207 N 0.10 3.71 -0.28 6.41 3.41 0.25 -4.45 113.62 122.77 1h2i n SER 207 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1h2i n SER 207 Cb 0.40 0.82 0.00 0.00 -0.26 0.00 0.00 64.21 65.17 1h2i n SER 207 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88