#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hki s VAL 17 N 0.00 3.86 -0.51 1.39 -7.23 0.32 -4.08 120.40 114.15 3hki s VAL 17 Ca 0.00 -0.35 -0.01 0.00 -1.81 0.00 0.00 61.98 59.81 3hki s VAL 17 Cb 0.00 -2.74 -0.01 0.00 0.56 0.00 0.00 36.38 34.19 3hki s VAL 17 CO 0.00 0.43 0.43 -0.62 -0.31 0.00 0.00 175.10 175.03 3hki n GLU 18 N 4.24 -2.05 -0.71 4.82 -0.58 -1.26 -1.30 120.64 123.80 3hki n GLU 18 Ca -0.17 0.38 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 3hki n GLU 18 Cb 0.52 -3.74 0.00 0.00 -0.57 0.00 0.00 31.44 27.64 3hki n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hki n GLY 19 N -1.21 5.35 3.30 0.62 0.00 -1.26 -4.47 105.19 107.53 3hki n GLY 19 Ca -0.08 -1.69 -0.09 0.00 0.00 0.00 0.00 46.02 44.15 3hki n GLY 19 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3hki s TRP 20 N -0.82 0.41 -0.06 1.61 -2.14 -0.56 -4.92 118.94 112.46 3hki s TRP 20 Ca 0.00 -0.79 -0.37 0.00 2.66 0.00 0.00 56.10 57.61 3hki s TRP 20 Cb 0.00 -0.10 -0.15 0.00 -3.10 0.00 0.00 33.47 30.12 3hki s TRP 20 CO 0.00 -0.68 1.64 -0.25 -2.66 0.00 0.00 176.95 175.00 3hki n ASP 21 N -0.18 2.58 -4.76 -2.66 9.92 -1.26 -1.65 116.55 118.54 3hki n ASP 21 Ca -0.08 1.06 -0.34 0.00 -0.53 0.00 0.00 54.79 54.90 3hki n ASP 21 Cb 0.63 -1.26 0.05 0.00 -0.64 0.00 0.00 41.12 39.89 3hki n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hki s ALA 22 N 2.39 2.46 0.21 2.24 0.00 -0.14 -4.83 121.76 124.09 3hki s ALA 22 Ca 0.90 0.68 -0.14 0.00 0.00 0.00 0.00 51.96 53.39 3hki s ALA 22 Cb -0.88 -3.36 -0.08 0.00 0.00 0.00 0.00 23.12 18.81 3hki s ALA 22 CO 0.52 -1.27 0.61 -1.21 0.00 0.00 0.00 175.76 174.41 3hki s GLU 23 N -3.87 3.99 0.09 0.00 8.01 -1.26 -4.93 118.70 120.73 3hki s GLU 23 Ca 0.70 0.54 -0.35 0.00 0.01 0.00 0.00 54.97 55.87 3hki s GLU 23 Cb -0.23 -2.77 -0.14 0.00 -4.31 0.00 0.00 34.13 26.68 3hki s GLU 23 CO 0.39 0.37 1.61 1.63 0.01 0.00 0.00 175.26 179.27 3hki n LYS 24 N 0.37 1.98 -1.11 1.61 5.02 -1.26 -0.61 118.16 124.16 3hki n LYS 24 Ca -0.02 0.72 -0.04 0.00 -2.02 0.00 0.00 58.31 56.95 3hki n LYS 24 Cb 0.52 -2.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.03 3hki n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hki n GLY 25 N 3.50 0.66 0.23 0.72 0.00 -1.26 -4.89 105.19 104.15 3hki n GLY 25 Ca 0.19 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 45.92 3hki n GLY 25 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hki h ILE 26 N 0.00 0.32 -1.68 -0.61 2.10 -1.24 -3.36 117.51 113.04 3hki h ILE 26 Ca -0.08 -1.03 -0.50 0.00 1.08 0.00 0.00 64.86 64.33 3hki h ILE 26 Cb 0.40 1.80 -0.34 0.00 -1.09 0.00 0.00 36.82 37.59 3hki h ILE 26 CO 0.12 0.14 -0.99 0.00 -1.08 0.00 0.00 178.15 176.34 3hki n ALA 27 N -2.16 1.76 0.06 0.18 0.00 -1.26 -4.99 120.51 114.10 3hki n ALA 27 Ca 0.01 -3.01 0.03 0.00 0.00 0.00 0.00 53.44 50.47 3hki n ALA 27 Cb 0.44 -0.90 0.18 0.00 0.00 0.00 0.00 19.45 19.17 3hki n ALA 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hki n PRO 28 N 1.57 0.04 -0.08 0.00 -0.04 -1.26 -0.80 135.00 134.44 3hki n PRO 28 Ca 0.20 0.47 0.12 0.00 -0.04 0.00 0.00 63.50 64.24 3hki n PRO 28 Cb 0.54 -1.78 0.23 0.00 -0.04 0.00 0.00 33.50 32.46 3hki n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3hki n TRP 29 N -1.68 0.20 -2.15 0.54 2.14 -1.03 -2.20 117.44 113.26 3hki n TRP 29 Ca -0.00 -0.10 -0.42 0.00 2.07 0.00 0.00 57.50 59.05 3hki n TRP 29 Cb 0.15 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.62 3hki n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3hki s GLN 30 N -1.80 4.31 0.11 -2.67 2.00 0.02 -0.81 119.66 120.81 3hki s GLN 30 Ca 0.34 2.10 0.09 0.00 -2.00 0.00 0.00 55.36 55.89 3hki s GLN 30 Cb 0.21 -3.24 -0.04 0.00 0.80 0.00 0.00 33.01 30.75 3hki s GLN 30 CO 0.31 -0.44 -0.23 0.08 -0.50 0.00 0.00 175.29 174.50 3hki s VAL 31 N 1.06 1.94 -0.23 1.34 1.01 0.19 -4.05 120.40 121.66 3hki s VAL 31 Ca 0.65 -1.61 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 3hki s VAL 31 Cb -0.37 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 3hki s VAL 31 CO 0.31 0.03 0.06 -0.32 0.00 0.00 0.00 175.10 175.18 3hki s MET 32 N -1.91 3.73 -0.33 2.72 1.75 -0.13 -1.33 119.30 123.80 3hki s MET 32 Ca 0.10 -0.45 -0.21 0.00 -1.25 0.00 0.00 55.69 53.88 3hki s MET 32 Cb -0.10 -3.28 -0.00 0.00 2.84 0.00 0.00 34.83 34.29 3hki s MET 32 CO 0.05 -0.06 0.66 -1.17 -0.65 0.00 0.00 175.02 173.84 3hki s LEU 33 N 1.27 4.18 -0.11 4.11 2.96 -0.16 -1.07 118.68 129.86 3hki s LEU 33 Ca 0.05 0.34 0.02 0.00 -0.22 0.00 0.00 54.13 54.33 3hki s LEU 33 Cb -0.15 -2.84 -0.01 0.00 0.50 0.00 0.00 46.19 43.69 3hki s LEU 33 CO 0.03 -0.55 -0.19 0.12 -1.32 0.00 0.00 176.35 174.44 3hki s PHE 34 N 2.71 2.66 -0.11 5.38 2.19 0.44 -0.90 117.98 130.35 3hki s PHE 34 Ca 0.26 -0.83 -0.30 0.00 0.33 0.00 0.00 56.93 56.39 3hki s PHE 34 Cb -0.15 -1.75 -0.02 0.00 -1.31 0.00 0.00 43.02 39.79 3hki s PHE 34 CO 0.13 -0.30 1.17 0.50 1.83 0.00 0.00 175.22 178.56 3hki s ARG 35 N 0.27 4.32 0.40 10.12 3.52 0.11 -1.44 118.95 136.24 3hki s ARG 35 Ca -0.14 1.60 0.10 0.00 -0.13 0.00 0.00 55.73 57.16 3hki s ARG 35 Cb -0.17 -3.62 0.88 0.00 -1.56 0.00 0.00 34.95 30.49 3hki s ARG 35 CO 0.07 -0.52 1.97 0.87 -0.81 0.00 0.00 175.30 176.89 3hki h LYS 36 N 7.60 0.56 -0.62 5.12 1.57 -1.49 -2.57 116.57 126.74 3hki h LYS 36 Ca -0.30 -0.03 0.21 0.00 -1.87 0.00 0.00 60.65 58.66 3hki h LYS 36 Cb 1.13 -0.13 -0.25 0.00 0.08 0.00 0.00 32.23 33.06 3hki h LYS 36 CO 0.91 0.37 0.35 -1.54 -0.57 0.00 0.00 179.45 178.97 3hki s SER 36 N -6.24 -0.37 0.18 0.86 1.04 -1.26 -3.83 113.70 104.08 3hki s SER 36 Ca -0.09 0.49 -0.32 0.00 0.48 0.00 0.00 55.95 56.52 3hki s SER 36 Cb 0.19 1.41 -0.11 0.00 0.10 0.00 0.00 66.02 67.61 3hki s SER 36 CO 0.76 -0.07 1.76 -2.84 0.98 0.00 0.00 173.24 173.83 3hki s PRO 37 N 2.30 4.13 -0.12 4.02 0.02 -1.26 -5.04 135.00 139.04 3hki s PRO 37 Ca -0.01 2.60 -0.37 0.00 0.02 0.00 0.00 61.00 63.24 3hki s PRO 37 Cb -0.04 -3.27 -0.14 0.00 0.02 0.00 0.00 34.50 31.07 3hki s PRO 37 CO -0.17 -0.78 1.72 1.04 -0.33 0.00 0.00 177.00 178.48 3hki n GLN 38 N 4.63 1.60 -3.60 5.54 6.02 -1.24 -4.68 117.38 125.64 3hki n GLN 38 Ca 0.17 0.59 -0.15 0.00 -0.01 0.00 0.00 57.00 57.59 3hki n GLN 38 Cb 0.36 -2.33 -0.07 0.00 1.02 0.00 0.00 30.24 29.23 3hki n GLN 38 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3hki s GLU 39 N 3.07 0.89 -0.16 -1.09 2.12 -0.97 -4.96 118.70 117.60 3hki s GLU 39 Ca 0.93 0.77 -0.28 0.00 0.36 0.00 0.00 54.97 56.74 3hki s GLU 39 Cb -0.89 0.43 -0.01 0.00 0.26 0.00 0.00 34.13 33.93 3hki s GLU 39 CO 0.56 -0.17 0.97 -1.17 -0.54 0.00 0.00 175.26 174.91 3hki s LEU 40 N -0.09 4.18 -0.26 2.70 2.96 -1.26 0.04 118.68 126.95 3hki s LEU 40 Ca -0.03 1.39 -0.09 0.00 -0.22 0.00 0.00 54.13 55.18 3hki s LEU 40 Cb -0.04 -3.46 -0.13 0.00 0.50 0.00 0.00 46.19 43.06 3hki s LEU 40 CO 0.04 -0.50 -0.31 0.18 -1.32 0.00 0.00 176.35 174.43 3hki n LEU 41 N 5.46 2.20 -3.83 -0.68 4.77 -0.08 -4.93 117.00 119.92 3hki n LEU 41 Ca 0.09 0.19 -0.07 0.00 -0.03 0.00 0.00 56.01 56.18 3hki n LEU 41 Cb 0.48 -0.81 0.01 0.00 -2.33 0.00 0.00 43.42 40.76 3hki n LEU 41 CO 0.51 0.66 0.54 0.00 -1.33 0.00 0.00 177.39 177.77 3hki s GLY 43 N -3.03 1.77 0.05 0.00 0.00 0.58 -0.99 107.32 105.70 3hki s GLY 43 Ca 0.14 -1.70 -0.28 0.00 0.00 0.00 0.00 44.72 42.87 3hki s GLY 43 CO 0.09 -1.20 1.16 0.00 0.00 0.00 0.00 173.10 173.15 3hki s ALA 44 N -3.01 -2.02 0.03 3.20 0.00 -0.44 -3.50 121.76 116.01 3hki s ALA 44 Ca 0.64 0.45 0.03 0.00 0.00 0.00 0.00 51.96 53.09 3hki s ALA 44 Cb -0.06 0.48 -0.02 0.00 0.00 0.00 0.00 23.12 23.52 3hki s ALA 44 CO 0.43 -1.05 -0.10 -1.54 0.00 0.00 0.00 175.76 173.49 3hki s SER 45 N -2.99 1.18 -0.37 0.00 1.04 0.71 0.53 113.70 113.81 3hki s SER 45 Ca 0.14 -0.39 -0.22 0.00 0.48 0.00 0.00 55.95 55.96 3hki s SER 45 Cb 0.02 -0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.09 3hki s SER 45 CO -0.01 -0.02 0.69 -0.22 0.98 0.00 0.00 173.24 174.66 3hki s LEU 46 N -1.00 4.23 -0.01 2.42 2.96 0.00 -0.08 118.68 127.20 3hki s LEU 46 Ca -0.02 0.17 0.21 0.00 -0.22 0.00 0.00 54.13 54.27 3hki s LEU 46 Cb -0.07 -2.87 -0.26 0.00 0.50 0.00 0.00 46.19 43.49 3hki s LEU 46 CO 0.01 -0.67 0.76 2.30 -1.32 0.00 0.00 176.35 177.42 3hki n ILE 47 N 5.70 0.00 -3.84 6.68 -5.35 -0.13 -1.96 119.36 120.46 3hki n ILE 47 Ca 0.00 -0.16 -0.06 0.00 -0.27 0.00 0.00 62.75 62.26 3hki n ILE 47 Cb 0.48 0.68 0.02 0.00 -1.74 0.00 0.00 39.64 39.09 3hki n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3hki s SER 48 N -3.46 0.00 0.00 7.28 1.04 -1.19 -4.51 113.70 112.86 3hki s SER 48 Ca 0.03 -0.91 0.11 0.00 0.48 0.00 0.00 55.95 55.65 3hki s SER 48 Cb 0.15 0.68 0.64 0.00 0.10 0.00 0.00 66.02 67.59 3hki s SER 48 CO 0.87 -1.35 1.29 -0.90 0.98 0.00 0.00 173.24 174.14 3hki n ASP 49 N -1.31 0.00 0.00 7.02 5.68 -1.26 -3.42 116.55 123.26 3hki n ASP 49 Ca -0.06 -1.38 0.00 0.00 -0.50 0.00 0.00 54.79 52.85 3hki n ASP 49 Cb 0.60 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 3hki n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3hki n ARG 50 N -0.69 2.81 -4.76 0.11 1.74 -1.26 -1.11 116.66 113.49 3hki n ARG 50 Ca 0.08 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.92 3hki n ARG 50 Cb 0.04 -0.21 -0.15 0.00 -1.02 0.00 0.00 32.46 31.12 3hki n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3hki s TRP 51 N -0.41 1.46 -0.02 -1.55 0.52 -1.22 -0.41 118.94 117.32 3hki s TRP 51 Ca 0.00 -0.30 0.04 0.00 0.02 0.00 0.00 56.10 55.86 3hki s TRP 51 Cb 0.00 -0.95 -0.01 0.00 -1.15 0.00 0.00 33.47 31.36 3hki s TRP 51 CO 0.00 -0.05 -0.13 0.08 0.02 0.00 0.00 176.95 176.87 3hki s VAL 52 N -0.30 1.10 -0.06 4.03 1.01 -0.78 -0.95 120.40 124.45 3hki s VAL 52 Ca 0.04 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 3hki s VAL 52 Cb -0.07 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3hki s VAL 52 CO -0.00 0.32 0.10 -0.22 0.00 0.00 0.00 175.10 175.30 3hki s LEU 53 N -0.12 4.08 0.00 3.92 2.96 0.89 -1.23 118.68 129.18 3hki s LEU 53 Ca 0.01 0.29 -0.07 0.00 -0.22 0.00 0.00 54.13 54.15 3hki s LEU 53 Cb -0.07 -2.16 0.03 0.00 0.50 0.00 0.00 46.19 44.48 3hki s LEU 53 CO 0.00 0.34 0.43 1.07 -1.32 0.00 0.00 176.35 176.88 3hki n THR 54 N 1.63 0.00 -3.35 3.68 5.66 -1.08 -0.21 114.28 120.61 3hki n THR 54 Ca -0.16 -0.74 -0.38 0.00 -3.05 0.00 0.00 64.05 59.72 3hki n THR 54 Cb 0.54 0.62 -0.06 0.00 -1.55 0.00 0.00 70.33 69.88 3hki n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hki s ALA 55 N -1.84 3.61 0.31 1.79 0.00 -1.26 -1.60 121.76 122.78 3hki s ALA 55 Ca 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 51.96 52.00 3hki s ALA 55 Cb -0.02 -2.54 0.47 0.00 0.00 0.00 0.00 23.12 21.02 3hki s ALA 55 CO 0.09 0.44 1.97 0.00 0.00 0.00 0.00 175.76 178.25 3hki h ALA 56 N 4.32 1.42 0.00 0.00 0.00 -1.65 -0.96 119.26 122.40 3hki h ALA 56 Ca -0.50 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3hki h ALA 56 Cb 1.21 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3hki h ALA 56 CO 0.64 0.53 0.00 -2.39 0.00 0.00 0.00 179.25 178.02 3hki n HIS 57 N -4.41 0.00 0.85 0.00 1.44 -1.26 -1.01 115.22 110.83 3hki n HIS 57 Ca 0.09 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.93 3hki n HIS 57 Cb 0.03 -0.46 0.51 0.00 0.12 0.00 0.00 29.99 30.19 3hki n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hki n ILE 59 N -1.80 0.29 -3.72 0.00 5.41 -0.19 -4.97 119.36 114.38 3hki n ILE 59 Ca 0.06 -0.15 -0.17 0.00 1.00 0.00 0.00 62.75 63.49 3hki n ILE 59 Cb 0.38 -0.81 -0.16 0.00 -0.71 0.00 0.00 39.64 38.33 3hki n ILE 59 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3hki s LEU 60 N -4.70 0.58 0.22 1.39 2.96 -0.18 -1.76 118.68 117.20 3hki s LEU 60 Ca -0.04 0.12 -0.21 0.00 -0.22 0.00 0.00 54.13 53.78 3hki s LEU 60 Cb 0.01 0.00 0.04 0.00 0.50 0.00 0.00 46.19 46.75 3hki s LEU 60 CO 0.15 -0.19 0.64 -0.47 -1.32 0.00 0.00 176.35 175.17 3hki s TYR 60 N 1.60 -0.31 0.00 5.38 5.04 0.60 -4.22 117.35 125.43 3hki s TYR 60 Ca -0.03 -0.03 0.00 0.00 -2.44 0.00 0.00 57.07 54.57 3hki s TYR 60 Cb -0.12 0.60 0.00 0.00 0.35 0.00 0.00 41.96 42.79 3hki s TYR 60 CO -0.04 -1.04 0.00 -2.30 -1.34 0.00 0.00 175.55 170.83 3hki n PRO 60 N -0.41 0.00 -0.49 4.97 -0.02 -1.26 -2.30 135.00 135.48 3hki n PRO 60 Ca -0.10 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.43 3hki n PRO 60 Cb 0.62 0.00 0.22 0.00 -0.02 0.00 0.00 33.50 34.32 3hki n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3hki n TRP 60 N 0.00 0.82 -2.39 6.00 8.01 -1.26 -4.96 117.44 123.67 3hki n TRP 60 Ca 0.00 -1.12 -0.19 0.00 -1.31 0.00 0.00 57.50 54.88 3hki n TRP 60 Cb 0.00 -0.34 -0.01 0.00 -2.01 0.00 0.00 31.31 28.95 3hki n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 3hki n ASP 60 N -0.85 -5.42 -4.54 -0.99 8.00 -1.17 -4.96 116.55 106.62 3hki n ASP 60 Ca 0.24 -0.03 -0.38 0.00 0.71 0.00 0.00 54.79 55.33 3hki n ASP 60 Cb 0.89 -4.47 -0.11 0.00 -0.02 0.00 0.00 41.12 37.41 3hki n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3hki s LYS 60 N -4.97 3.77 -0.49 -1.24 2.20 -0.97 -4.95 119.74 113.09 3hki s LYS 60 Ca 0.01 -0.43 0.06 0.00 -0.36 0.00 0.00 55.97 55.26 3hki s LYS 60 Cb -0.01 -3.60 0.21 0.00 -1.51 0.00 0.00 37.83 32.92 3hki s LYS 60 CO 0.02 -0.24 0.73 -1.71 -0.36 0.00 0.00 175.35 173.79 3hki n ASN 60 N 5.03 -2.77 -4.79 1.43 5.15 -1.24 -0.29 115.26 117.78 3hki n ASN 60 Ca -0.14 -2.97 -0.35 0.00 -0.60 0.00 0.00 54.58 50.51 3hki n ASN 60 Cb 0.51 1.40 -0.04 0.00 -0.53 0.00 0.00 39.78 41.13 3hki n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3hki s PHE 60 N 0.61 3.13 0.37 1.20 0.08 -0.72 -5.04 117.98 117.61 3hki s PHE 60 Ca 0.31 1.61 0.08 0.00 0.12 0.00 0.00 56.93 59.05 3hki s PHE 60 Cb 0.09 -3.11 -0.05 0.00 -0.57 0.00 0.00 43.02 39.37 3hki s PHE 60 CO -0.13 -0.75 0.09 0.95 -0.10 0.00 0.00 175.22 175.27 3hki s THR 60 N -1.79 2.51 0.63 0.64 -4.23 -1.26 -4.95 115.64 107.19 3hki s THR 60 Ca 0.62 -1.84 0.29 0.00 -1.18 0.00 0.00 61.69 59.58 3hki s THR 60 Cb -0.20 -2.91 0.33 0.00 1.34 0.00 0.00 72.50 71.06 3hki s THR 60 CO 0.24 -0.11 1.89 -0.33 -0.54 0.00 0.00 174.62 175.78 3hki h GLU 61 N 1.64 0.00 0.00 3.99 3.07 -1.90 -1.65 114.58 119.73 3hki h GLU 61 Ca -0.43 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.25 3hki h GLU 61 Cb 1.25 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.14 3hki h GLU 61 CO 0.69 0.00 -0.85 -0.91 -1.40 0.00 0.00 179.01 176.53 3hki h ASN 62 N 0.00 0.00 1.19 1.42 -0.26 -1.94 -3.30 115.58 112.68 3hki h ASN 62 Ca 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 3hki h ASN 62 Cb 0.91 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.17 3hki h ASN 62 CO -0.00 0.85 -0.15 0.47 -1.06 0.00 0.00 177.43 177.54 3hki n ASP 63 N -3.48 0.59 -4.68 5.81 8.00 -0.62 -4.93 116.55 117.24 3hki n ASP 63 Ca -0.00 0.42 -0.26 0.00 0.71 0.00 0.00 54.79 55.66 3hki n ASP 63 Cb 0.83 -0.48 -0.09 0.00 -0.02 0.00 0.00 41.12 41.36 3hki n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hki s LEU 64 N -4.02 3.02 0.11 0.64 1.43 -1.24 -1.24 118.68 117.37 3hki s LEU 64 Ca 0.11 -1.15 -0.19 0.00 -1.03 0.00 0.00 54.13 51.86 3hki s LEU 64 Cb 0.14 -1.25 0.05 0.00 0.03 0.00 0.00 46.19 45.16 3hki s LEU 64 CO 0.61 -0.46 0.48 -0.22 0.23 0.00 0.00 176.35 177.00 3hki s LEU 65 N -3.81 0.04 0.08 1.79 0.20 -0.52 -4.47 118.68 111.99 3hki s LEU 65 Ca 0.38 -0.10 0.07 0.00 0.69 0.00 0.00 54.13 55.16 3hki s LEU 65 Cb 0.05 2.10 -0.03 0.00 -0.43 0.00 0.00 46.19 47.88 3hki s LEU 65 CO 0.20 -0.84 -0.19 0.68 -0.29 0.00 0.00 176.35 175.92 3hki s VAL 66 N -3.41 1.51 -0.11 1.68 -7.23 -0.94 -0.42 120.40 111.48 3hki s VAL 66 Ca 0.00 -1.37 0.03 0.00 -1.81 0.00 0.00 61.98 58.83 3hki s VAL 66 Cb 0.00 -1.37 0.01 0.00 0.56 0.00 0.00 36.38 35.58 3hki s VAL 66 CO -0.09 -0.04 -0.19 -0.13 -0.31 0.00 0.00 175.10 174.34 3hki s ARG 67 N -1.65 2.59 -0.01 4.82 0.52 -0.23 -1.74 118.95 123.24 3hki s ARG 67 Ca 0.04 -0.70 0.07 0.00 -0.52 0.00 0.00 55.73 54.62 3hki s ARG 67 Cb -0.10 -2.09 -0.02 0.00 0.52 0.00 0.00 34.95 33.26 3hki s ARG 67 CO 0.03 0.02 -0.22 0.42 0.02 0.00 0.00 175.30 175.57 3hki s ILE 68 N 0.75 2.45 0.00 1.52 1.01 0.73 -0.96 121.20 126.70 3hki s ILE 68 Ca -0.10 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.50 3hki s ILE 68 Cb -0.16 -1.92 0.00 0.00 0.01 0.00 0.00 42.46 40.39 3hki s ILE 68 CO 0.01 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.09 3hki n GLY 69 N 2.21 0.56 3.90 6.18 0.00 -1.26 -0.33 105.19 116.46 3hki n GLY 69 Ca -0.16 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 3hki n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hki s LYS 70 N -2.93 3.62 0.12 1.61 1.02 -1.26 -4.19 119.74 117.72 3hki s LYS 70 Ca 0.00 0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.08 3hki s LYS 70 Cb 0.00 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.77 3hki s LYS 70 CO 0.00 0.07 0.00 1.58 -0.92 0.00 0.00 175.35 176.08 3hki n HIS 71 N -1.41 -0.69 -2.09 3.18 -0.00 -1.26 -4.88 115.22 108.07 3hki n HIS 71 Ca -0.01 0.12 -0.41 0.00 -0.00 0.00 0.00 57.72 57.43 3hki n HIS 71 Cb 0.54 0.23 -0.02 0.00 -0.00 0.00 0.00 29.99 30.74 3hki n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3hki s SER 72 N -5.24 6.73 0.16 0.26 0.15 -1.26 -0.53 113.70 113.97 3hki s SER 72 Ca 0.00 2.70 -0.09 0.00 0.70 0.00 0.00 55.95 59.26 3hki s SER 72 Cb 0.00 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 3hki s SER 72 CO 0.00 -0.58 1.49 -0.09 1.20 0.00 0.00 173.24 175.26 3hki h ARG 73 N 3.65 0.87 0.00 5.44 2.43 -1.49 -3.39 114.38 121.89 3hki h ARG 73 Ca -0.48 -0.46 -0.06 0.00 -0.81 0.00 0.00 59.98 58.16 3hki h ARG 73 Cb 1.23 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 3hki h ARG 73 CO 0.67 1.11 -1.53 0.25 -1.51 0.00 0.00 179.97 178.96 3hki n THR 74 N -4.05 0.22 -1.45 0.20 -2.24 -1.26 -5.03 114.28 100.68 3hki n THR 74 Ca -0.02 -0.29 -0.31 0.00 -2.27 0.00 0.00 64.05 61.15 3hki n THR 74 Cb 0.55 -0.08 0.07 0.00 -2.10 0.00 0.00 70.33 68.77 3hki n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3hki s ARG 75 N -2.55 2.57 -0.44 -0.78 1.81 -1.26 -4.98 118.95 113.32 3hki s ARG 75 Ca -0.04 1.14 -0.21 0.00 -1.72 0.00 0.00 55.73 54.90 3hki s ARG 75 Cb 0.05 -1.94 0.02 0.00 -0.45 0.00 0.00 34.95 32.64 3hki s ARG 75 CO 0.41 -1.40 0.65 -0.47 -0.68 0.00 0.00 175.30 173.81 3hki s TYR 76 N -2.85 3.06 -1.29 -0.53 6.04 -1.26 -4.91 117.35 115.61 3hki s TYR 76 Ca 0.61 -0.07 -0.10 0.00 0.04 0.00 0.00 57.07 57.55 3hki s TYR 76 Cb -0.17 -3.36 0.15 0.00 -1.04 0.00 0.00 41.96 37.55 3hki s TYR 76 CO 0.53 -0.88 1.88 0.39 -1.54 0.00 0.00 175.55 175.93 3hki n GLU 77 N 6.27 3.53 -1.57 4.97 1.02 -1.26 -4.97 120.64 128.62 3hki n GLU 77 Ca -0.02 -3.46 -0.47 0.00 -0.02 0.00 0.00 57.16 53.19 3hki n GLU 77 Cb 0.48 -2.97 -0.03 0.00 -0.02 0.00 0.00 31.44 28.89 3hki n GLU 77 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hki n ARG 77 N 4.26 1.18 -0.08 3.49 1.74 -1.26 -0.38 116.66 125.60 3hki n ARG 77 Ca 0.41 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.91 3hki n ARG 77 Cb 0.37 -1.84 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 3hki n ARG 77 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3hki n ASN 78 N 1.73 0.00 -0.02 0.55 3.02 -1.26 -4.70 115.26 114.58 3hki n ASN 78 Ca 0.13 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.61 3hki n ASN 78 Cb 0.27 -0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 38.78 3hki n ASN 78 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3hki n VAL 79 N -2.00 0.98 -1.98 2.41 0.31 0.49 -5.04 118.33 113.50 3hki n VAL 79 Ca 0.00 0.10 -0.29 0.00 -0.01 0.00 0.00 64.34 64.14 3hki n VAL 79 Cb 0.00 -1.76 0.07 0.00 -0.91 0.00 0.00 33.84 31.23 3hki n VAL 79 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3hki s GLU 80 N -2.27 2.40 -0.01 5.55 -1.05 0.38 -4.78 118.70 118.93 3hki s GLU 80 Ca -0.12 0.18 0.02 0.00 -0.15 0.00 0.00 54.97 54.90 3hki s GLU 80 Cb 0.03 -2.03 0.00 0.00 -0.44 0.00 0.00 34.13 31.69 3hki s GLU 80 CO 0.17 -1.27 -0.07 0.15 0.95 0.00 0.00 175.26 175.19 3hki s LYS 81 N -5.41 0.63 -0.10 -4.83 3.01 0.55 -4.88 119.74 108.72 3hki s LYS 81 Ca 0.60 -0.22 -0.01 0.00 -1.01 0.00 0.00 55.97 55.32 3hki s LYS 81 Cb -0.11 -0.62 -0.03 0.00 -1.01 0.00 0.00 37.83 36.06 3hki s LYS 81 CO 0.49 0.10 -0.03 0.42 0.51 0.00 0.00 175.35 176.84 3hki s ILE 82 N 0.07 4.00 -0.00 2.17 1.09 -1.26 -0.20 121.20 127.07 3hki s ILE 82 Ca -0.01 -0.35 0.02 0.00 -1.10 0.00 0.00 60.65 59.21 3hki s ILE 82 Cb -0.05 -2.68 -0.01 0.00 -1.06 0.00 0.00 42.46 38.66 3hki s ILE 82 CO -0.00 0.58 -0.07 -0.44 -0.10 0.00 0.00 174.94 174.91 3hki s SER 83 N -0.55 0.79 0.66 3.58 0.01 -0.71 -5.01 113.70 112.47 3hki s SER 83 Ca 0.09 -0.15 -0.08 0.00 1.31 0.00 0.00 55.95 57.11 3hki s SER 83 Cb -0.12 -0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.06 3hki s SER 83 CO 0.02 0.06 1.00 -0.32 0.41 0.00 0.00 173.24 174.41 3hki s MET 84 N -0.26 2.70 -0.16 12.44 1.75 -1.26 -2.22 119.30 132.29 3hki s MET 84 Ca 0.02 0.10 -0.03 0.00 -1.25 0.00 0.00 55.69 54.53 3hki s MET 84 Cb -0.03 -2.15 -0.02 0.00 2.84 0.00 0.00 34.83 35.47 3hki s MET 84 CO -0.00 -0.97 -0.06 -0.51 -0.65 0.00 0.00 175.02 172.83 3hki s LEU 85 N -5.19 3.07 -0.02 4.11 1.43 -1.26 -1.08 118.68 119.72 3hki s LEU 85 Ca 0.57 -0.21 -0.22 0.00 -1.03 0.00 0.00 54.13 53.24 3hki s LEU 85 Cb -0.11 -1.73 -0.25 0.00 0.03 0.00 0.00 46.19 44.13 3hki s LEU 85 CO 0.47 0.14 1.04 -0.08 0.23 0.00 0.00 176.35 178.15 3hki h GLU 86 N 6.88 0.31 -2.75 1.70 4.81 -0.20 -3.44 114.58 121.89 3hki h GLU 86 Ca -0.31 -0.36 -0.06 0.00 -0.13 0.00 0.00 59.36 58.51 3hki h GLU 86 Cb 1.19 0.11 -0.16 0.00 0.63 0.00 0.00 28.75 30.52 3hki h GLU 86 CO 0.60 1.07 0.05 0.21 -0.73 0.00 0.00 179.01 180.21 3hki s LYS 87 N -3.03 1.04 -0.11 1.92 2.47 -1.17 -4.89 119.74 115.97 3hki s LYS 87 Ca -0.14 -0.23 0.03 0.00 -1.56 0.00 0.00 55.97 54.07 3hki s LYS 87 Cb 0.02 0.48 -0.00 0.00 -1.46 0.00 0.00 37.83 36.87 3hki s LYS 87 CO 0.79 -0.38 -0.22 0.42 0.16 0.00 0.00 175.35 176.13 3hki s ILE 88 N -2.44 2.24 -0.26 5.43 1.01 -1.26 -0.70 121.20 125.22 3hki s ILE 88 Ca -0.05 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.67 3hki s ILE 88 Cb -0.01 -1.88 0.06 0.00 0.01 0.00 0.00 42.46 40.65 3hki s ILE 88 CO -0.02 0.55 -0.09 -0.31 0.00 0.00 0.00 174.94 175.07 3hki s TYR 89 N 0.40 3.16 -0.15 3.97 1.51 0.29 -4.95 117.35 121.59 3hki s TYR 89 Ca -0.16 -2.28 -0.15 0.00 -1.01 0.00 0.00 57.07 53.47 3hki s TYR 89 Cb -0.17 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.70 3hki s TYR 89 CO 0.07 -0.87 0.36 0.08 -1.11 0.00 0.00 175.55 174.08 3hki s VAL 90 N 1.13 5.26 -0.04 0.71 1.01 -1.26 0.43 120.40 127.64 3hki s VAL 90 Ca -0.07 0.68 -0.39 0.00 0.00 0.00 0.00 61.98 62.20 3hki s VAL 90 Cb -0.20 -3.70 -0.18 0.00 0.00 0.00 0.00 36.38 32.31 3hki s VAL 90 CO -0.05 0.35 1.35 1.57 0.00 0.00 0.00 175.10 178.32 3hki n HIS 91 N 3.73 1.37 0.28 5.22 -0.00 -1.11 -4.78 115.22 119.93 3hki n HIS 91 Ca -0.10 0.78 0.16 0.00 0.46 0.00 0.00 57.72 59.03 3hki n HIS 91 Cb 0.52 -2.28 0.81 0.00 -0.12 0.00 0.00 29.99 28.92 3hki n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3hki h PRO 92 N 4.58 0.00 -0.44 1.57 0.13 -1.94 -1.72 132.00 134.18 3hki h PRO 92 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3hki h PRO 92 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 3hki h PRO 92 CO 0.79 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.10 3hki n ARG 93 N -2.68 2.51 -1.71 0.86 5.12 -1.26 -4.99 116.66 114.52 3hki n ARG 93 Ca -0.01 -2.32 -0.61 0.00 -1.93 0.00 0.00 57.85 52.98 3hki n ARG 93 Cb 0.12 -1.51 -0.08 0.00 -1.16 0.00 0.00 32.46 29.84 3hki n ARG 93 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 3hki n TYR 94 N 1.46 1.89 -3.34 -1.55 9.36 -0.65 -4.80 117.16 119.54 3hki n TYR 94 Ca 0.20 0.75 -0.45 0.00 3.32 0.00 0.00 57.90 61.71 3hki n TYR 94 Cb 0.60 -2.37 -0.06 0.00 -0.63 0.00 0.00 39.34 36.88 3hki n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3hki s ASN 95 N 3.12 6.16 -0.09 2.98 3.84 0.11 -4.86 114.94 126.20 3hki s ASN 95 Ca 1.00 -1.69 0.20 0.00 0.21 0.00 0.00 52.86 52.57 3hki s ASN 95 Cb -1.20 -2.19 -0.27 0.00 -0.55 0.00 0.00 41.25 37.03 3hki s ASN 95 CO 0.70 -0.80 0.35 -2.67 -2.79 0.00 0.00 177.10 171.88 3hki n TRP 96 N 5.22 0.13 -0.01 0.43 4.27 -1.26 0.15 117.44 126.37 3hki n TRP 96 Ca -0.13 0.04 0.01 0.00 -3.89 0.00 0.00 57.50 53.53 3hki n TRP 96 Cb 0.41 -0.80 0.32 0.00 -1.36 0.00 0.00 31.31 29.88 3hki n TRP 96 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3hki h ARG 97 N 0.00 0.56 0.00 -2.67 3.08 -2.01 -3.42 114.38 109.91 3hki h ARG 97 Ca -0.27 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.69 3hki h ARG 97 Cb 1.63 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.59 3hki h ARG 97 CO 0.02 0.52 -0.73 -1.91 -1.07 0.00 0.00 179.97 176.80 3hki n GLU 97 N -4.33 0.00 0.00 0.04 2.13 -1.26 -5.02 120.64 112.20 3hki n GLU 97 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 3hki n GLU 97 Cb 0.20 -0.40 0.00 0.00 0.27 0.00 0.00 31.44 31.51 3hki n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 3hki n ASN 98 N -2.82 0.00 -1.21 4.31 6.94 -1.24 -4.90 115.26 116.33 3hki n ASN 98 Ca 0.00 -1.00 -0.13 0.00 -0.02 0.00 0.00 54.58 53.43 3hki n ASN 98 Cb 0.36 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.75 3hki n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3hki n LEU 99 N 0.00 -1.23 -4.75 -4.53 4.77 0.40 -4.95 117.00 106.71 3hki n LEU 99 Ca 0.00 0.18 -0.41 0.00 -0.03 0.00 0.00 56.01 55.75 3hki n LEU 99 Cb 0.41 -2.00 -0.02 0.00 -2.33 0.00 0.00 43.42 39.48 3hki n LEU 99 CO 0.00 -0.45 1.14 -0.62 -1.33 0.00 0.00 177.39 176.13 3hki s ASP 100 N -2.67 6.54 -0.93 -1.43 3.68 -1.23 -2.33 116.67 118.30 3hki s ASP 100 Ca 0.00 2.80 -0.04 0.00 2.13 0.00 0.00 52.55 57.44 3hki s ASP 100 Cb 0.00 -2.63 0.00 0.00 -1.45 0.00 0.00 42.92 38.84 3hki s ASP 100 CO 0.00 -0.77 0.80 0.54 0.13 0.00 0.00 175.17 175.87 3hki n ARG 101 N 1.96 -5.34 -2.53 4.34 1.74 -1.26 -0.71 116.66 114.85 3hki n ARG 101 Ca 0.06 0.60 -0.43 0.00 -0.77 0.00 0.00 57.85 57.31 3hki n ARG 101 Cb 0.39 -4.94 0.00 0.00 -1.02 0.00 0.00 32.46 26.90 3hki n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3hki n ASP 102 N -2.09 4.86 -3.78 0.55 2.03 -0.98 -4.24 116.55 112.90 3hki n ASP 102 Ca -0.09 -2.93 -0.11 0.00 0.52 0.00 0.00 54.79 52.19 3hki n ASP 102 Cb 0.58 -1.70 -0.07 0.00 -0.72 0.00 0.00 41.12 39.20 3hki n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3hki s ILE 103 N 3.57 0.09 0.01 5.18 2.07 -1.26 -3.63 121.20 127.24 3hki s ILE 103 Ca 0.51 -0.78 -0.21 0.00 -1.41 0.00 0.00 60.65 58.76 3hki s ILE 103 Cb 0.04 -0.99 0.04 0.00 0.13 0.00 0.00 42.46 41.68 3hki s ILE 103 CO 0.05 -0.43 0.47 0.00 -1.91 0.00 0.00 174.94 173.11 3hki s ALA 104 N -2.78 -1.18 -0.03 1.50 0.00 -0.63 -2.76 121.76 115.89 3hki s ALA 104 Ca -0.03 0.58 0.07 0.00 0.00 0.00 0.00 51.96 52.57 3hki s ALA 104 Cb -0.00 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 3hki s ALA 104 CO -0.05 -0.41 -0.24 -0.51 0.00 0.00 0.00 175.76 174.56 3hki s LEU 105 N -1.68 2.04 -0.13 0.00 1.43 0.17 -2.65 118.68 117.86 3hki s LEU 105 Ca -0.08 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 3hki s LEU 105 Cb -0.02 -1.26 0.01 0.00 0.03 0.00 0.00 46.19 44.96 3hki s LEU 105 CO 0.02 0.28 -0.20 -0.76 0.23 0.00 0.00 176.35 175.91 3hki s LEU 106 N -0.45 2.02 -0.17 1.79 1.43 -0.36 0.11 118.68 123.04 3hki s LEU 106 Ca 0.06 -0.57 -0.14 0.00 -1.03 0.00 0.00 54.13 52.46 3hki s LEU 106 Cb -0.10 -1.37 -0.05 0.00 0.03 0.00 0.00 46.19 44.70 3hki s LEU 106 CO 0.00 0.06 0.29 -0.75 0.23 0.00 0.00 176.35 176.18 3hki s LYS 107 N 0.87 4.25 0.28 1.70 2.20 0.13 -1.86 119.74 127.30 3hki s LYS 107 Ca -0.07 0.07 -0.29 0.00 -0.36 0.00 0.00 55.97 55.33 3hki s LYS 107 Cb -0.15 -3.44 -0.09 0.00 -1.51 0.00 0.00 37.83 32.64 3hki s LYS 107 CO -0.02 0.22 1.05 -0.51 -0.36 0.00 0.00 175.35 175.73 3hki s LEU 108 N 0.53 4.55 0.32 5.43 1.43 0.46 0.47 118.68 131.86 3hki s LEU 108 Ca 0.16 2.17 0.06 0.00 -1.03 0.00 0.00 54.13 55.49 3hki s LEU 108 Cb -0.13 -3.66 0.72 0.00 0.03 0.00 0.00 46.19 43.14 3hki s LEU 108 CO 0.04 -0.09 1.83 0.50 0.23 0.00 0.00 176.35 178.86 3hki h LYS 109 N 3.80 0.78 -3.61 1.70 1.63 -1.38 -3.40 116.57 116.09 3hki h LYS 109 Ca -0.46 -0.05 -0.11 0.00 -0.85 0.00 0.00 60.65 59.18 3hki h LYS 109 Cb 1.21 -0.18 -0.17 0.00 -0.60 0.00 0.00 32.23 32.49 3hki h LYS 109 CO 0.67 0.52 -0.42 0.15 -3.45 0.00 0.00 179.45 176.92 3hki s LYS 110 N -5.82 0.67 0.52 1.90 1.02 -1.26 -4.91 119.74 111.87 3hki s LYS 110 Ca -0.11 -0.65 -0.22 0.00 0.02 0.00 0.00 55.97 55.01 3hki s LYS 110 Cb 0.23 0.28 -0.05 0.00 -0.52 0.00 0.00 37.83 37.76 3hki s LYS 110 CO 0.80 -0.19 1.27 -1.25 -0.92 0.00 0.00 175.35 175.06 3hki s PRO 111 N -2.57 3.32 -0.11 -1.68 0.04 -1.26 -4.85 135.00 127.89 3hki s PRO 111 Ca -0.05 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 62.96 3hki s PRO 111 Cb -0.01 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 3hki s PRO 111 CO -0.04 -0.98 0.06 0.54 0.04 0.00 0.00 177.00 176.63 3hki s VAL 112 N -1.43 4.84 0.40 -0.36 0.11 -0.27 -5.03 120.40 118.67 3hki s VAL 112 Ca 0.70 -0.04 -0.25 0.00 -2.93 0.00 0.00 61.98 59.46 3hki s VAL 112 Cb -0.35 -3.09 -0.09 0.00 -1.53 0.00 0.00 36.38 31.32 3hki s VAL 112 CO 0.41 0.59 1.09 -2.84 -3.33 0.00 0.00 175.10 171.02 3hki s PRO 113 N -0.74 4.12 0.57 1.54 0.02 -1.26 -4.75 135.00 134.51 3hki s PRO 113 Ca 0.12 1.64 -0.06 0.00 0.02 0.00 0.00 61.00 62.73 3hki s PRO 113 Cb -0.12 -2.60 0.00 0.00 0.02 0.00 0.00 34.50 31.80 3hki s PRO 113 CO 0.03 -0.21 0.88 -0.06 -0.33 0.00 0.00 177.00 177.31 3hki s PHE 114 N -1.55 3.30 0.00 6.54 0.08 -1.26 -4.85 117.98 120.24 3hki s PHE 114 Ca 0.57 0.67 0.00 0.00 0.12 0.00 0.00 56.93 58.30 3hki s PHE 114 Cb -0.26 -2.67 0.00 0.00 -0.57 0.00 0.00 43.02 39.53 3hki s PHE 114 CO 0.32 -0.73 0.00 -1.13 -0.10 0.00 0.00 175.22 173.58 3hki n SER 115 N -2.53 0.00 0.29 1.36 3.41 0.44 -4.87 113.62 111.72 3hki n SER 115 Ca 0.04 -0.65 0.18 0.00 -0.26 0.00 0.00 58.87 58.17 3hki n SER 115 Cb 0.57 0.00 0.89 0.00 -0.26 0.00 0.00 64.21 65.41 3hki n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hki h ASP 116 N 0.00 0.00 -0.00 4.04 3.32 -1.98 -3.07 116.42 118.73 3hki h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hki h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3hki h ASP 116 CO 0.00 0.04 -0.39 -1.22 -1.72 0.00 0.00 179.24 175.95 3hki n TYR 117 N -3.27 0.00 -3.91 4.55 4.01 -1.26 -4.79 117.16 112.48 3hki n TYR 117 Ca -0.01 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.43 3hki n TYR 117 Cb 0.20 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.07 3hki n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3hki s ILE 118 N -1.77 1.33 -0.22 -0.72 1.01 -1.16 -4.20 121.20 115.47 3hki s ILE 118 Ca 0.06 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.59 3hki s ILE 118 Cb 0.09 -1.56 0.06 0.00 0.01 0.00 0.00 42.46 41.06 3hki s ILE 118 CO 0.37 -0.00 0.57 -2.28 0.00 0.00 0.00 174.94 173.60 3hki s HIS 119 N 1.51 -0.72 0.73 3.97 2.46 -0.93 -0.42 115.29 121.88 3hki s HIS 119 Ca -0.03 1.62 -0.14 0.00 0.47 0.00 0.00 55.06 56.98 3hki s HIS 119 Cb -0.17 0.32 0.04 0.00 -0.13 0.00 0.00 32.58 32.64 3hki s HIS 119 CO -0.07 -0.36 1.17 -1.25 -2.47 0.00 0.00 174.74 171.75 3hki s PRO 120 N 0.82 2.24 0.04 2.88 0.04 -1.26 -2.46 135.00 137.30 3hki s PRO 120 Ca -0.04 1.59 0.04 0.00 0.04 0.00 0.00 61.00 62.63 3hki s PRO 120 Cb -0.05 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 3hki s PRO 120 CO -0.07 -1.72 -0.03 0.54 0.04 0.00 0.00 177.00 175.76 3hki s VAL 121 N -2.20 3.86 0.37 -0.36 0.11 -0.83 -4.87 120.40 116.48 3hki s VAL 121 Ca 0.71 -0.84 -0.24 0.00 -2.93 0.00 0.00 61.98 58.68 3hki s VAL 121 Cb -0.25 -2.75 -0.10 0.00 -1.53 0.00 0.00 36.38 31.75 3hki s VAL 121 CO 0.46 0.29 0.97 0.00 -3.33 0.00 0.00 175.10 173.49 3hki s LEU 123 N -2.55 3.31 0.29 0.00 1.43 -1.26 -0.88 118.68 119.02 3hki s LEU 123 Ca 0.56 0.67 0.06 0.00 -1.03 0.00 0.00 54.13 54.38 3hki s LEU 123 Cb -0.17 -3.51 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 3hki s LEU 123 CO 0.21 -0.99 0.41 -2.16 0.23 0.00 0.00 176.35 174.06 3hki s PRO 124 N -4.92 3.27 0.49 1.29 0.04 -1.26 -4.79 135.00 129.12 3hki s PRO 124 Ca 0.53 -0.89 0.03 0.00 0.04 0.00 0.00 61.00 60.70 3hki s PRO 124 Cb -0.10 -2.85 -0.02 0.00 0.04 0.00 0.00 34.50 31.57 3hki s PRO 124 CO 0.44 0.25 0.04 0.16 0.04 0.00 0.00 177.00 177.93 3hki s ASP 125 N -4.07 4.14 0.17 6.66 3.84 -1.26 -4.81 116.67 121.33 3hki s ASP 125 Ca 0.39 -1.55 -0.23 0.00 -0.00 0.00 0.00 52.55 51.17 3hki s ASP 125 Cb -0.09 0.30 0.07 0.00 -1.38 0.00 0.00 42.92 41.83 3hki s ASP 125 CO 0.30 -0.79 1.59 0.50 -0.00 0.00 0.00 175.17 176.78 3hki h LYS 126 N 1.38 -0.22 -0.57 2.11 1.63 -1.99 -1.38 116.57 117.53 3hki h LYS 126 Ca -0.43 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.43 3hki h LYS 126 Cb 1.30 0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 32.93 3hki h LYS 126 CO 0.74 -0.15 0.31 0.37 -3.45 0.00 0.00 179.45 177.27 3hki h GLN 127 N -0.23 0.57 -0.90 1.90 -0.00 -1.98 -2.08 115.11 112.38 3hki h GLN 127 Ca 0.19 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.80 3hki h GLN 127 Cb 0.54 -0.13 -0.04 0.00 0.00 0.00 0.00 27.48 27.85 3hki h GLN 127 CO -0.58 0.38 0.54 1.15 0.00 0.00 0.00 178.83 180.31 3hki h THR 128 N 0.59 1.25 0.00 2.39 2.02 -1.77 -2.53 112.91 114.86 3hki h THR 128 Ca 0.25 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3hki h THR 128 Cb 0.14 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 3hki h THR 128 CO -0.16 0.27 0.00 0.52 0.37 0.00 0.00 175.52 176.52 3hki n VAL 129 N -4.38 0.00 0.08 3.16 0.31 -0.59 -1.80 118.33 115.12 3hki n VAL 129 Ca 0.10 1.16 0.03 0.00 -0.01 0.00 0.00 64.34 65.62 3hki n VAL 129 Cb 0.06 -2.15 0.13 0.00 -0.91 0.00 0.00 33.84 30.98 3hki n VAL 129 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3hki n THR 129 N -1.07 0.64 -0.04 2.52 -2.24 -0.83 -0.46 114.28 112.79 3hki n THR 129 Ca 0.00 0.63 -0.01 0.00 -2.27 0.00 0.00 64.05 62.39 3hki n THR 129 Cb 0.00 -1.63 -0.11 0.00 -2.10 0.00 0.00 70.33 66.50 3hki n THR 129 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hki n SER 129 N -1.60 1.71 -0.05 3.42 3.41 -0.95 -4.76 113.62 114.79 3hki n SER 129 Ca -0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.55 3hki n SER 129 Cb 0.37 1.13 -0.07 0.00 -0.26 0.00 0.00 64.21 65.38 3hki n SER 129 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hki n LEU 129 N -2.31 0.72 -4.16 1.04 4.77 -0.36 -4.82 117.00 111.88 3hki n LEU 129 Ca -0.15 -0.02 -0.40 0.00 -0.03 0.00 0.00 56.01 55.42 3hki n LEU 129 Cb 0.73 0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.87 3hki n LEU 129 CO 0.29 0.36 2.11 -0.11 -1.33 0.00 0.00 177.39 178.70 3hki n LEU 130 N -2.49 4.93 -3.94 2.23 7.94 0.39 -4.83 117.00 121.23 3hki n LEU 130 Ca -0.18 -3.63 -0.11 0.00 -1.11 0.00 0.00 56.01 50.98 3hki n LEU 130 Cb 0.80 -1.60 -0.12 0.00 0.53 0.00 0.00 43.42 43.03 3hki n LEU 130 CO 0.19 -0.09 -0.37 -0.13 -1.11 0.00 0.00 177.39 175.88 3hki s ARG 131 N 4.55 0.22 0.17 1.96 0.52 -1.26 -4.87 118.95 120.23 3hki s ARG 131 Ca 0.56 -0.35 -0.31 0.00 -0.52 0.00 0.00 55.73 55.11 3hki s ARG 131 Cb 0.08 -0.01 -0.17 0.00 0.52 0.00 0.00 34.95 35.37 3hki s ARG 131 CO 0.05 -0.01 0.75 0.00 0.02 0.00 0.00 175.30 176.12 3hki n ALA 132 N 2.28 -2.48 0.00 2.13 0.00 -1.26 -1.09 120.51 120.09 3hki n ALA 132 Ca -0.18 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.72 3hki n ALA 132 Cb 0.57 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 18.29 3hki n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hki n GLY 133 N 1.82 2.05 3.74 0.00 0.00 -1.14 -4.92 105.19 106.74 3hki n GLY 133 Ca 0.17 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 3hki n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hki s TYR 134 N -0.50 2.82 0.05 1.61 1.51 -0.25 -4.57 117.35 118.02 3hki s TYR 134 Ca 0.00 0.58 -0.18 0.00 -1.01 0.00 0.00 57.07 56.46 3hki s TYR 134 Cb 0.00 -4.10 -0.06 0.00 -0.11 0.00 0.00 41.96 37.68 3hki s TYR 134 CO 0.00 -3.93 0.53 0.15 -1.11 0.00 0.00 175.55 171.19 3hki s LYS 135 N 0.25 4.13 0.45 -0.62 1.02 -1.26 -1.49 119.74 122.22 3hki s LYS 135 Ca 0.68 0.65 0.05 0.00 0.02 0.00 0.00 55.97 57.37 3hki s LYS 135 Cb -0.49 -3.24 -0.05 0.00 -0.52 0.00 0.00 37.83 33.53 3hki s LYS 135 CO 0.41 0.63 0.07 0.20 -0.92 0.00 0.00 175.35 175.74 3hki s GLY 136 N -1.02 2.62 -0.03 -3.33 0.00 0.12 -4.89 107.32 100.78 3hki s GLY 136 Ca 0.28 -1.62 0.07 0.00 0.00 0.00 0.00 44.72 43.44 3hki s GLY 136 CO 0.17 -2.08 -0.24 -1.60 0.00 0.00 0.00 173.10 169.35 3hki s ARG 137 N -3.84 2.16 -0.05 2.90 3.52 0.56 -1.13 118.95 123.08 3hki s ARG 137 Ca 0.27 -0.87 0.06 0.00 -0.13 0.00 0.00 55.73 55.06 3hki s ARG 137 Cb 0.06 -1.98 -0.01 0.00 -1.56 0.00 0.00 34.95 31.46 3hki s ARG 137 CO 0.15 0.46 -0.22 0.08 -0.81 0.00 0.00 175.30 174.96 3hki s VAL 138 N -0.40 1.79 0.11 7.11 1.01 -0.66 -0.89 120.40 128.47 3hki s VAL 138 Ca 0.04 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.18 3hki s VAL 138 Cb -0.11 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3hki s VAL 138 CO 0.01 0.50 -0.21 0.42 0.00 0.00 0.00 175.10 175.82 3hki s THR 139 N -0.16 1.75 0.00 3.92 -4.23 -1.24 -2.24 115.64 113.44 3hki s THR 139 Ca -0.02 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 3hki s THR 139 Cb -0.12 -1.61 0.00 0.00 1.34 0.00 0.00 72.50 72.11 3hki s THR 139 CO 0.02 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 3hki n GLY 140 N 0.99 0.39 0.57 3.99 0.00 -0.67 -4.55 105.19 105.90 3hki n GLY 140 Ca -0.19 -0.90 0.09 0.00 0.00 0.00 0.00 46.02 45.03 3hki n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hki n TRP 141 N -0.16 0.56 -0.33 1.61 8.01 -1.26 -0.90 117.44 124.97 3hki n TRP 141 Ca 0.00 -0.94 -0.31 0.00 -1.31 0.00 0.00 57.50 54.94 3hki n TRP 141 Cb 0.00 -0.25 0.29 0.00 -2.01 0.00 0.00 31.31 29.34 3hki n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3hki s GLY 142 N -2.33 1.39 0.53 6.99 0.00 -1.25 -4.62 107.32 108.03 3hki s GLY 142 Ca 0.38 -0.88 -0.19 0.00 0.00 0.00 0.00 44.72 44.03 3hki s GLY 142 CO 0.06 0.16 1.07 -1.31 0.00 0.00 0.00 173.10 173.08 3hki s ASN 143 N -3.20 6.04 0.38 1.64 0.01 -1.26 -3.14 114.94 115.41 3hki s ASN 143 Ca 0.69 1.97 0.20 0.00 -0.71 0.00 0.00 52.86 55.00 3hki s ASN 143 Cb -0.12 -2.56 0.47 0.00 0.41 0.00 0.00 41.25 39.45 3hki s ASN 143 CO 0.57 -0.99 1.63 -0.07 -1.51 0.00 0.00 177.10 176.73 3hki h LEU 144 N 1.20 0.00 -7.72 0.60 3.38 0.18 -1.38 115.31 111.57 3hki h LEU 144 Ca -0.49 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.57 3hki h LEU 144 Cb 1.23 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.91 3hki h LEU 144 CO 0.58 0.30 0.31 -0.60 0.09 0.00 0.00 178.44 179.12 3hki s ARG 145 N -3.28 1.50 0.84 1.13 6.06 -1.26 -4.34 118.95 119.60 3hki s ARG 145 Ca 0.03 -0.79 -0.14 0.00 -2.50 0.00 0.00 55.73 52.33 3hki s ARG 145 Cb 0.08 0.54 0.03 0.00 0.06 0.00 0.00 34.95 35.66 3hki s ARG 145 CO 0.69 -0.68 0.68 -0.85 -2.50 0.00 0.00 175.30 172.63 3hki n GLU 146 N -0.44 0.03 -2.25 5.12 0.00 -1.26 -4.68 120.64 117.15 3hki n GLU 146 Ca -0.07 0.07 -0.28 0.00 0.00 0.00 0.00 57.16 56.88 3hki n GLU 146 Cb 0.60 -2.01 0.03 0.00 0.00 0.00 0.00 31.44 30.06 3hki n GLU 146 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 3hki s THR 147 N -2.17 3.80 -0.43 3.84 2.01 -1.26 -4.65 115.64 116.78 3hki s THR 147 Ca 0.64 0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.83 3hki s THR 147 Cb -0.28 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 68.71 3hki s THR 147 CO 0.60 -0.59 0.17 0.79 -0.69 0.00 0.00 174.62 174.90 3hki n TRP 148 N -2.67 -0.54 -2.03 4.92 7.02 -1.26 -5.01 117.44 117.86 3hki n TRP 148 Ca 0.05 0.14 -0.01 0.00 -1.02 0.00 0.00 57.50 56.66 3hki n TRP 148 Cb 0.57 -1.97 -0.01 0.00 -2.42 0.00 0.00 31.31 27.48 3hki n TRP 148 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 3hki n THR 149 N -3.59 0.00 0.00 -0.99 -1.04 -1.26 -5.28 114.28 102.12 3hki n THR 149 Ca -0.03 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 3hki n THR 149 Cb 0.53 0.26 0.00 0.00 -1.82 0.00 0.00 70.33 69.30 3hki n THR 149 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3hki n ASN 149 N 0.03 0.00 0.00 8.00 3.02 -1.26 -5.19 115.26 119.87 3hki n ASN 149 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 3hki n ASN 149 Cb 0.62 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 3hki n ASN 149 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3hki n GLU 149 N 0.00 0.00 -0.02 3.52 2.13 -1.26 -5.07 120.64 119.95 3hki n GLU 149 Ca 0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 3hki n GLU 149 Cb 0.00 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.56 3hki n GLU 149 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 3hki n ILE 150 N 0.66 0.50 -3.44 6.31 -5.35 -1.26 -4.82 119.36 111.96 3hki n ILE 150 Ca 0.00 -0.61 -0.37 0.00 -0.27 0.00 0.00 62.75 61.50 3hki n ILE 150 Cb 0.00 -0.21 -0.06 0.00 -1.74 0.00 0.00 39.64 37.63 3hki n ILE 150 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3hki s GLN 151 N -3.20 4.24 0.75 6.28 -0.21 -1.26 0.18 119.66 126.45 3hki s GLN 151 Ca -0.07 0.29 -0.11 0.00 0.02 0.00 0.00 55.36 55.48 3hki s GLN 151 Cb 0.11 -3.40 0.04 0.00 1.00 0.00 0.00 33.01 30.76 3hki s GLN 151 CO 0.87 0.26 1.08 -1.25 -2.12 0.00 0.00 175.29 174.13 3hki s PRO 152 N 0.34 2.45 -0.02 2.91 0.04 -1.26 -4.94 135.00 134.52 3hki s PRO 152 Ca 0.21 0.81 0.21 0.00 0.04 0.00 0.00 61.00 62.28 3hki s PRO 152 Cb -0.14 -1.95 -0.29 0.00 0.04 0.00 0.00 34.50 32.17 3hki s PRO 152 CO 0.08 -1.41 0.68 -1.13 0.04 0.00 0.00 177.00 175.26 3hki n SER 153 N -3.32 0.49 -4.06 6.66 3.41 -1.26 -4.73 113.62 110.80 3hki n SER 153 Ca 0.07 -0.48 -0.07 0.00 -0.26 0.00 0.00 58.87 58.13 3hki n SER 153 Cb 0.55 1.52 -0.10 0.00 -0.26 0.00 0.00 64.21 65.92 3hki n SER 153 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3hki s VAL 154 N -3.26 0.19 0.44 -3.33 -7.23 -1.26 -1.32 120.40 104.63 3hki s VAL 154 Ca -0.00 -1.60 -0.22 0.00 -1.81 0.00 0.00 61.98 58.34 3hki s VAL 154 Cb 0.15 -1.25 -0.11 0.00 0.56 0.00 0.00 36.38 35.73 3hki s VAL 154 CO 0.89 -0.88 0.70 -0.11 -0.31 0.00 0.00 175.10 175.39 3hki n LEU 155 N 0.42 0.98 -4.45 1.32 7.94 0.31 -4.80 117.00 118.73 3hki n LEU 155 Ca -0.16 0.93 -0.28 0.00 -1.11 0.00 0.00 56.01 55.39 3hki n LEU 155 Cb 0.60 -1.20 -0.12 0.00 0.53 0.00 0.00 43.42 43.23 3hki n LEU 155 CO 0.26 -2.43 -0.52 -1.10 -1.11 0.00 0.00 177.39 172.49 3hki s GLN 156 N -1.80 1.61 0.09 1.96 -1.52 -0.08 -0.97 119.66 118.96 3hki s GLN 156 Ca 0.64 -1.36 0.06 0.00 -1.95 0.00 0.00 55.36 52.75 3hki s GLN 156 Cb -0.57 -1.96 -0.03 0.00 -0.22 0.00 0.00 33.01 30.22 3hki s GLN 156 CO 0.57 0.44 -0.15 0.14 -0.25 0.00 0.00 175.29 176.04 3hki s VAL 157 N -1.37 1.25 -0.10 1.09 -7.23 -0.66 -1.67 120.40 111.71 3hki s VAL 157 Ca 0.19 -1.45 -0.21 0.00 -1.81 0.00 0.00 61.98 58.69 3hki s VAL 157 Cb -0.09 -1.27 0.05 0.00 0.56 0.00 0.00 36.38 35.63 3hki s VAL 157 CO 0.09 -0.26 0.51 0.54 -0.31 0.00 0.00 175.10 175.68 3hki s VAL 158 N -1.51 0.02 -0.14 1.32 0.11 -0.95 -1.50 120.40 117.75 3hki s VAL 158 Ca 0.02 -0.14 -0.04 0.00 -2.93 0.00 0.00 61.98 58.90 3hki s VAL 158 Cb -0.09 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 33.95 3hki s VAL 158 CO 0.03 -0.07 -0.01 0.20 -3.33 0.00 0.00 175.10 171.91 3hki s ASN 159 N -0.60 5.05 0.01 3.54 0.01 -1.26 -1.66 114.94 120.03 3hki s ASN 159 Ca -0.07 -0.02 0.04 0.00 -0.71 0.00 0.00 52.86 52.10 3hki s ASN 159 Cb -0.03 -1.73 -0.01 0.00 0.41 0.00 0.00 41.25 39.88 3hki s ASN 159 CO 0.04 0.22 -0.13 -0.76 -1.51 0.00 0.00 177.10 174.96 3hki s LEU 160 N 0.06 2.09 -0.00 0.60 1.43 -0.28 -4.93 118.68 117.65 3hki s LEU 160 Ca 0.01 -0.33 -0.17 0.00 -1.03 0.00 0.00 54.13 52.61 3hki s LEU 160 Cb -0.13 -0.62 -0.06 0.00 0.03 0.00 0.00 46.19 45.41 3hki s LEU 160 CO 0.02 0.10 0.48 -2.16 0.23 0.00 0.00 176.35 175.02 3hki s PRO 161 N -0.67 4.11 1.21 1.29 0.04 -1.26 0.11 135.00 139.82 3hki s PRO 161 Ca 0.03 0.53 -0.14 0.00 0.04 0.00 0.00 61.00 61.46 3hki s PRO 161 Cb -0.06 -3.27 0.30 0.00 0.04 0.00 0.00 34.50 31.50 3hki s PRO 161 CO 0.00 0.56 1.01 0.42 0.04 0.00 0.00 177.00 179.03 3hki s ILE 162 N -0.71 1.88 0.01 0.56 1.01 -0.56 0.09 121.20 123.48 3hki s ILE 162 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.90 3hki s ILE 162 Cb -0.17 -2.10 -0.01 0.00 0.01 0.00 0.00 42.46 40.19 3hki s ILE 162 CO 0.15 0.00 0.01 -0.69 0.00 0.00 0.00 174.94 174.41 3hki s VAL 163 N -2.47 0.07 0.33 2.92 1.01 -0.86 -2.90 120.40 118.49 3hki s VAL 163 Ca 0.68 -0.55 -0.28 0.00 0.00 0.00 0.00 61.98 61.83 3hki s VAL 163 Cb -0.23 -0.20 -0.13 0.00 0.00 0.00 0.00 36.38 35.83 3hki s VAL 163 CO 0.63 -0.30 1.23 -0.62 0.00 0.00 0.00 175.10 176.04 3hki n GLU 164 N 2.12 1.96 0.01 2.72 4.71 -1.26 -4.64 120.64 126.26 3hki n GLU 164 Ca -0.19 0.69 -0.01 0.00 -0.01 0.00 0.00 57.16 57.64 3hki n GLU 164 Cb 0.57 -2.23 -0.00 0.00 -1.01 0.00 0.00 31.44 28.77 3hki n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 3hki h ARG 165 N 2.46 -0.03 -1.17 3.49 2.43 -1.99 -1.34 114.38 118.24 3hki h ARG 165 Ca -0.45 0.00 0.43 0.00 -0.81 0.00 0.00 59.98 59.15 3hki h ARG 165 Cb 1.29 0.01 -0.14 0.00 -0.42 0.00 0.00 29.97 30.71 3hki h ARG 165 CO 0.62 -0.02 0.72 -2.30 -1.51 0.00 0.00 179.97 177.48 3hki n PRO 166 N -2.41 -0.04 0.05 0.20 -0.02 -1.26 0.31 135.00 131.83 3hki n PRO 166 Ca -0.00 1.21 -0.05 0.00 -2.02 0.00 0.00 63.50 62.64 3hki n PRO 166 Cb 0.01 -2.31 0.16 0.00 -0.02 0.00 0.00 33.50 31.34 3hki n PRO 166 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hki h VAL 167 N 0.00 1.32 0.07 -1.45 2.07 -1.76 -2.25 116.25 114.24 3hki h VAL 167 Ca 0.81 -1.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 3hki h VAL 167 Cb 2.46 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.94 3hki h VAL 167 CO -0.53 0.50 -0.03 0.00 0.02 0.00 0.00 177.57 177.52 3hki h LYS 169 N -0.53 0.83 -0.00 0.00 3.64 -0.96 -0.54 116.57 119.01 3hki h LYS 169 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3hki h LYS 169 Cb 0.46 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3hki h LYS 169 CO 0.01 0.55 -0.00 0.00 -2.27 0.00 0.00 179.45 177.74 3hki n ALA 170 N -2.35 2.61 0.17 5.00 0.00 -0.85 -3.31 120.51 121.78 3hki n ALA 170 Ca 0.20 -0.18 0.09 0.00 0.00 0.00 0.00 53.44 53.55 3hki n ALA 170 Cb 0.45 -1.50 0.25 0.00 0.00 0.00 0.00 19.45 18.65 3hki n ALA 170 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hki n SER 171 N -1.09 3.08 -3.51 0.00 3.41 -0.21 -4.95 113.62 110.35 3hki n SER 171 Ca 0.20 -2.01 -0.10 0.00 -0.26 0.00 0.00 58.87 56.70 3hki n SER 171 Cb 0.17 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 63.70 3hki n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hki s THR 172 N -1.26 0.00 0.09 6.66 -1.32 -1.21 -4.53 115.64 114.07 3hki s THR 172 Ca 0.38 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.91 3hki s THR 172 Cb 0.20 -1.00 -0.23 0.00 -1.51 0.00 0.00 72.50 69.96 3hki s THR 172 CO 0.26 0.00 1.19 0.03 -2.21 0.00 0.00 174.62 173.89 3hki h ARG 173 N 2.16 0.07 -6.40 7.08 3.08 -1.92 -3.46 114.38 114.98 3hki h ARG 173 Ca -0.23 -0.11 -0.63 0.00 0.07 0.00 0.00 59.98 59.08 3hki h ARG 173 Cb 1.23 0.04 0.07 0.00 0.08 0.00 0.00 29.97 31.39 3hki h ARG 173 CO 0.32 1.01 0.47 -0.89 -1.07 0.00 0.00 179.97 179.81 3hki n ILE 174 N -3.37 0.59 -2.30 2.04 5.41 -1.26 -4.87 119.36 115.60 3hki n ILE 174 Ca -0.04 -0.15 -0.42 0.00 1.00 0.00 0.00 62.75 63.14 3hki n ILE 174 Cb 0.97 -1.09 -0.02 0.00 -0.71 0.00 0.00 39.64 38.79 3hki n ILE 174 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 3hki s ARG 175 N -0.02 3.43 0.51 0.38 3.52 -1.26 -4.99 118.95 120.53 3hki s ARG 175 Ca 0.75 0.88 -0.17 0.00 -0.13 0.00 0.00 55.73 57.06 3hki s ARG 175 Cb -0.80 -4.09 -0.08 0.00 -1.56 0.00 0.00 34.95 28.42 3hki s ARG 175 CO 0.48 -1.75 0.99 0.42 -0.81 0.00 0.00 175.30 174.63 3hki s ILE 176 N 5.96 4.50 0.38 4.11 -1.09 -1.26 -4.89 121.20 128.90 3hki s ILE 176 Ca 0.62 1.23 0.04 0.00 -2.23 0.00 0.00 60.65 60.31 3hki s ILE 176 Cb -0.14 -3.70 -0.05 0.00 -1.58 0.00 0.00 42.46 36.99 3hki s ILE 176 CO 0.31 -0.66 0.06 0.42 -1.23 0.00 0.00 174.94 173.84 3hki s THR 177 N -2.59 1.18 0.24 2.92 -4.23 -1.26 -5.02 115.64 106.88 3hki s THR 177 Ca 0.59 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 59.46 3hki s THR 177 Cb -0.10 -2.66 0.40 0.00 1.34 0.00 0.00 72.50 71.48 3hki s THR 177 CO 0.30 0.00 2.08 0.44 -0.54 0.00 0.00 174.62 176.90 3hki h ASP 178 N 1.91 0.00 0.00 3.99 3.32 -2.03 -2.58 116.42 121.03 3hki h ASP 178 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3hki h ASP 178 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3hki h ASP 178 CO 0.69 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.80 3hki n ASN 179 N -3.10 0.00 -4.21 6.45 3.02 -1.26 -4.83 115.26 111.33 3hki n ASN 179 Ca -0.00 -1.27 -0.12 0.00 -0.03 0.00 0.00 54.58 53.16 3hki n ASN 179 Cb 0.25 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.32 3hki n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hki s MET 180 N -2.00 1.07 0.02 3.52 0.23 -0.98 0.11 119.30 121.27 3hki s MET 180 Ca 0.28 -1.52 -0.17 0.00 -1.03 0.00 0.00 55.69 53.24 3hki s MET 180 Cb 0.13 -0.04 0.03 0.00 -1.53 0.00 0.00 34.83 33.42 3hki s MET 180 CO 0.21 -0.21 0.38 -0.59 -2.03 0.00 0.00 175.02 172.79 3hki s PHE 181 N -3.84 -0.24 0.30 3.16 -0.12 -0.52 -4.81 117.98 111.91 3hki s PHE 181 Ca 0.26 0.25 0.09 0.00 -0.05 0.00 0.00 56.93 57.48 3hki s PHE 181 Cb 0.07 0.18 -0.05 0.00 -0.63 0.00 0.00 43.02 42.59 3hki s PHE 181 CO 0.04 -0.51 0.02 0.00 -0.05 0.00 0.00 175.22 174.72 3hki s ALA 183 N -2.42 -1.23 0.00 0.00 0.00 -0.73 -2.03 121.76 115.35 3hki s ALA 183 Ca 0.34 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.91 3hki s ALA 183 Cb -0.04 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.33 3hki s ALA 183 CO 0.20 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.94 3hki n GLY 184 N 0.68 4.03 3.89 0.00 0.00 0.11 -1.93 105.19 111.96 3hki n GLY 184 Ca -0.19 -1.35 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 3hki n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hki s PHE 184 N -2.00 2.92 0.63 1.61 0.40 -1.26 -4.62 117.98 115.65 3hki s PHE 184 Ca 0.00 0.77 -0.04 0.00 -0.60 0.00 0.00 56.93 57.06 3hki s PHE 184 Cb 0.00 -3.48 0.04 0.00 0.51 0.00 0.00 43.02 40.10 3hki s PHE 184 CO 0.00 -1.82 0.91 0.15 0.70 0.00 0.00 175.22 175.16 3hki s LYS 185 N -5.54 2.45 0.06 0.44 -0.14 -1.26 -4.88 119.74 110.86 3hki s LYS 185 Ca 0.62 -0.38 -0.23 0.00 -1.36 0.00 0.00 55.97 54.62 3hki s LYS 185 Cb -0.11 -2.30 -0.11 0.00 -1.68 0.00 0.00 37.83 33.63 3hki s LYS 185 CO 0.50 -0.95 1.36 -0.24 -0.76 0.00 0.00 175.35 175.25 3hki h VAL 186 N -0.29 0.00 0.00 3.17 3.04 -1.96 -2.10 116.25 118.11 3hki h VAL 186 Ca -0.44 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 3hki h VAL 186 Cb 1.30 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.58 3hki h VAL 186 CO 0.58 0.00 0.00 -0.55 -1.01 0.00 0.00 177.57 176.59 3hki h ASN 186 N -0.63 0.00 -3.72 3.17 -0.00 -1.99 -3.44 115.58 108.97 3hki h ASN 186 Ca -0.04 0.00 -0.56 0.00 -0.00 0.00 0.00 56.30 55.70 3hki h ASN 186 Cb 0.55 0.00 0.14 0.00 -0.00 0.00 0.00 38.32 39.01 3hki h ASN 186 CO -0.06 0.00 0.47 -0.67 -0.00 0.00 0.00 177.43 177.17 3hki n ASP 186 N -2.51 2.30 -0.15 6.14 -0.08 -0.79 -4.93 116.55 116.53 3hki n ASP 186 Ca 0.00 1.01 -0.11 0.00 -1.51 0.00 0.00 54.79 54.18 3hki n ASP 186 Cb 0.17 -1.51 -0.01 0.00 2.34 0.00 0.00 41.12 42.11 3hki n ASP 186 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hki h THR 186 N 1.59 1.28 -3.32 5.18 1.03 -1.86 -3.44 112.91 113.36 3hki h THR 186 Ca -0.49 -1.28 -0.58 0.00 -0.01 0.00 0.00 66.41 64.06 3hki h THR 186 Cb 1.31 1.19 -0.08 0.00 -1.07 0.00 0.00 68.15 69.51 3hki h THR 186 CO 0.57 0.43 -0.13 -0.54 -0.01 0.00 0.00 175.52 175.85 3hki s LYS 186 N -4.73 4.33 0.00 0.00 1.02 -1.26 -5.06 119.74 114.04 3hki s LYS 186 Ca -0.12 0.48 0.00 0.00 0.02 0.00 0.00 55.97 56.35 3hki s LYS 186 Cb 0.11 -3.42 0.00 0.00 -0.52 0.00 0.00 37.83 33.99 3hki s LYS 186 CO 0.84 0.18 0.00 2.89 -0.92 0.00 0.00 175.35 178.34 3hki n ARG 187 N 3.57 0.00 -0.58 1.68 1.85 -1.26 -4.57 116.66 117.35 3hki n ARG 187 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 3hki n ARG 187 Cb 0.52 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.93 3hki n ARG 187 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3hki n GLY 188 N 5.00 -2.69 3.81 2.89 0.00 -1.21 -4.57 105.19 108.42 3hki n GLY 188 Ca 0.00 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.17 3hki n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hki s ASP 189 N 0.00 -0.18 0.01 1.61 -1.08 -0.42 -4.69 116.67 111.92 3hki s ASP 189 Ca 0.00 -0.74 -0.09 0.00 -0.52 0.00 0.00 52.55 51.20 3hki s ASP 189 Cb 0.00 0.73 -0.05 0.00 -1.46 0.00 0.00 42.92 42.14 3hki s ASP 189 CO 0.00 -1.37 0.32 0.00 0.52 0.00 0.00 175.17 174.63 3hki s ALA 190 N -3.69 3.79 0.20 3.66 0.00 -1.26 -0.52 121.76 123.94 3hki s ALA 190 Ca 0.13 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.67 3hki s ALA 190 Cb -0.05 -2.18 0.03 0.00 0.00 0.00 0.00 23.12 20.92 3hki s ALA 190 CO 0.08 0.59 0.25 0.00 0.00 0.00 0.00 175.76 176.68 3hki h GLU 192 N 0.00 0.06 0.00 0.00 9.09 -1.88 -2.57 114.58 119.29 3hki h GLU 192 Ca -0.10 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.30 3hki h GLU 192 Cb 0.44 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.53 3hki h GLU 192 CO 0.15 0.18 0.00 0.41 0.05 0.00 0.00 179.01 179.79 3hki n GLY 193 N -0.74 -0.37 0.31 1.06 0.00 -1.26 -1.15 105.19 103.03 3hki n GLY 193 Ca -0.07 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.01 3hki n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hki n ASP 194 N -0.90 1.54 -4.55 1.61 8.00 -0.97 -3.92 116.55 117.37 3hki n ASP 194 Ca 0.07 -1.23 -0.39 0.00 0.71 0.00 0.00 54.79 53.95 3hki n ASP 194 Cb 0.03 0.56 0.03 0.00 -0.02 0.00 0.00 41.12 41.72 3hki n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3hki n SER 195 N -0.57 0.12 0.00 -2.24 7.64 -0.30 -1.77 113.62 116.50 3hki n SER 195 Ca 0.08 0.85 0.00 0.00 1.01 0.00 0.00 58.87 60.81 3hki n SER 195 Cb 0.41 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 3hki n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hki n GLY 196 N 1.48 2.99 3.78 0.23 0.00 0.17 -0.31 105.19 113.53 3hki n GLY 196 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3hki n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hki s GLY 197 N -1.67 1.67 0.05 -0.02 0.00 -0.73 -3.30 107.32 103.32 3hki s GLY 197 Ca 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 44.72 43.62 3hki s GLY 197 CO 0.00 -0.22 0.37 2.56 0.00 0.00 0.00 173.10 175.81 3hki s PRO 198 N -5.61 3.74 -0.35 2.90 0.04 -1.26 -0.38 135.00 134.08 3hki s PRO 198 Ca 0.71 0.15 -0.04 0.00 0.04 0.00 0.00 61.00 61.86 3hki s PRO 198 Cb -0.08 -3.05 0.06 0.00 0.04 0.00 0.00 34.50 31.48 3hki s PRO 198 CO 0.54 0.60 0.10 0.12 0.04 0.00 0.00 177.00 178.40 3hki s PHE 199 N -1.33 3.33 0.10 0.56 2.19 -0.21 -3.72 117.98 118.91 3hki s PHE 199 Ca 0.30 -1.78 0.10 0.00 0.33 0.00 0.00 56.93 55.88 3hki s PHE 199 Cb -0.14 -2.47 -0.04 0.00 -1.31 0.00 0.00 43.02 39.06 3hki s PHE 199 CO 0.17 -0.81 -0.23 0.14 1.83 0.00 0.00 175.22 176.31 3hki s VAL 200 N 1.30 2.50 -0.05 3.12 -7.23 -0.07 0.05 120.40 120.02 3hki s VAL 200 Ca -0.00 -1.56 0.02 0.00 -1.81 0.00 0.00 61.98 58.63 3hki s VAL 200 Cb -0.21 -2.10 0.01 0.00 0.56 0.00 0.00 36.38 34.65 3hki s VAL 200 CO 0.00 0.16 -0.11 -0.04 -0.31 0.00 0.00 175.10 174.80 3hki s MET 201 N -1.90 1.46 -0.15 4.82 -1.94 -0.08 -0.32 119.30 121.18 3hki s MET 201 Ca 0.15 -0.39 -0.25 0.00 -1.71 0.00 0.00 55.69 53.50 3hki s MET 201 Cb -0.10 -1.25 -0.02 0.00 2.01 0.00 0.00 34.83 35.46 3hki s MET 201 CO 0.07 0.07 0.80 0.21 -0.01 0.00 0.00 175.02 176.15 3hki s LYS 202 N 0.49 4.32 0.30 2.03 2.20 -1.26 -1.06 119.74 126.75 3hki s LYS 202 Ca -0.10 0.97 -0.29 0.00 -0.36 0.00 0.00 55.97 56.19 3hki s LYS 202 Cb -0.13 -3.55 -0.10 0.00 -1.51 0.00 0.00 37.83 32.53 3hki s LYS 202 CO 0.02 -0.25 1.26 0.45 -0.36 0.00 0.00 175.35 176.48 3hki s SER 203 N 1.11 6.90 0.28 1.43 0.15 -0.65 -4.89 113.70 118.03 3hki s SER 203 Ca 0.38 2.55 0.25 0.00 0.70 0.00 0.00 55.95 59.83 3hki s SER 203 Cb -0.17 -2.64 0.66 0.00 -1.71 0.00 0.00 66.02 62.17 3hki s SER 203 CO 0.14 -0.45 1.72 1.55 1.20 0.00 0.00 173.24 177.40 3hki h PRO 204 N 3.85 0.00 0.00 5.44 0.13 -1.96 -2.65 132.00 136.81 3hki h PRO 204 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3hki h PRO 204 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3hki h PRO 204 CO 0.68 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.64 3hki n PHE 204 N -2.53 0.00 1.76 1.56 3.72 -1.26 -4.60 117.46 116.11 3hki n PHE 204 Ca 0.05 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.60 3hki n PHE 204 Cb 0.46 0.00 0.73 0.00 -0.94 0.00 0.00 39.48 39.73 3hki n PHE 204 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3hki n ASN 204 N -0.21 0.70 -0.28 4.37 2.04 -1.26 -4.93 115.26 115.68 3hki n ASN 204 Ca 0.00 -1.26 -0.04 0.00 -0.44 0.00 0.00 54.58 52.85 3hki n ASN 204 Cb 0.00 -0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.23 3hki n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3hki n ASN 205 N -0.44 -4.68 -4.82 0.53 4.13 -1.00 -5.00 115.26 103.98 3hki n ASN 205 Ca 0.21 0.09 -0.37 0.00 1.68 0.00 0.00 54.58 56.19 3hki n ASN 205 Cb 0.22 -2.51 -0.06 0.00 -1.54 0.00 0.00 39.78 35.89 3hki n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3hki s ARG 206 N -1.74 3.92 0.16 3.52 0.52 -1.26 -4.76 118.95 119.31 3hki s ARG 206 Ca 0.00 0.25 -0.29 0.00 -0.52 0.00 0.00 55.73 55.17 3hki s ARG 206 Cb 0.00 -3.27 -0.07 0.00 0.52 0.00 0.00 34.95 32.13 3hki s ARG 206 CO 0.00 0.58 0.92 -1.58 0.02 0.00 0.00 175.30 175.24 3hki s TRP 207 N -0.65 3.88 -0.03 -0.53 0.52 -1.26 -1.64 118.94 119.23 3hki s TRP 207 Ca 0.21 1.80 0.06 0.00 0.02 0.00 0.00 56.10 58.19 3hki s TRP 207 Cb -0.15 -2.98 -0.01 0.00 -1.15 0.00 0.00 33.47 29.18 3hki s TRP 207 CO 0.10 0.33 -0.21 0.71 0.02 0.00 0.00 176.95 177.90 3hki s TYR 208 N -0.55 2.00 -0.56 -1.98 2.02 -0.22 -2.21 117.35 115.84 3hki s TYR 208 Ca 0.43 -0.49 -0.21 0.00 -0.37 0.00 0.00 57.07 56.43 3hki s TYR 208 Cb -0.24 -1.31 0.06 0.00 -0.40 0.00 0.00 41.96 40.07 3hki s TYR 208 CO 0.30 -0.12 0.80 -1.14 -1.57 0.00 0.00 175.55 173.83 3hki s GLN 209 N -0.27 3.18 0.12 -0.62 0.74 -0.06 -0.90 119.66 121.85 3hki s GLN 209 Ca 0.02 -0.73 0.06 0.00 0.05 0.00 0.00 55.36 54.76 3hki s GLN 209 Cb -0.11 -4.13 -0.21 0.00 1.10 0.00 0.00 33.01 29.67 3hki s GLN 209 CO 0.01 -1.47 1.27 0.52 -0.55 0.00 0.00 175.29 175.08 3hki h MET 210 N 9.24 0.02 -3.97 1.67 2.86 -0.72 -3.40 114.93 120.62 3hki h MET 210 Ca -0.28 -0.03 -0.18 0.00 -2.06 0.00 0.00 59.70 57.15 3hki h MET 210 Cb 1.08 0.01 -0.09 0.00 0.06 0.00 0.00 31.60 32.67 3hki h MET 210 CO 1.06 1.01 -0.20 0.20 1.06 0.00 0.00 176.91 180.05 3hki s GLY 211 N -4.70 1.10 -0.09 8.32 0.00 -1.03 -1.40 107.32 109.52 3hki s GLY 211 Ca 0.01 -1.28 0.04 0.00 0.00 0.00 0.00 44.72 43.49 3hki s GLY 211 CO 0.82 -0.89 -0.24 -0.42 0.00 0.00 0.00 173.10 172.38 3hki s ILE 212 N -3.51 2.03 -0.13 0.90 1.01 -0.99 -1.04 121.20 119.47 3hki s ILE 212 Ca 0.28 -1.01 -0.31 0.00 0.00 0.00 0.00 60.65 59.60 3hki s ILE 212 Cb 0.00 -1.75 -0.09 0.00 0.01 0.00 0.00 42.46 40.63 3hki s ILE 212 CO 0.15 0.56 2.05 0.52 0.00 0.00 0.00 174.94 178.22 3hki n VAL 213 N 3.41 0.51 -0.06 2.92 0.31 0.49 -1.19 118.33 124.73 3hki n VAL 213 Ca -0.19 -0.24 -0.07 0.00 -0.01 0.00 0.00 64.34 63.83 3hki n VAL 213 Cb 0.53 -2.17 -0.08 0.00 -0.91 0.00 0.00 33.84 31.21 3hki n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3hki n SER 214 N 8.82 2.51 -2.85 4.52 2.88 -0.43 0.45 113.62 129.51 3hki n SER 214 Ca 0.27 -0.03 -0.07 0.00 -1.33 0.00 0.00 58.87 57.71 3hki n SER 214 Cb 0.36 0.43 -0.01 0.00 -0.75 0.00 0.00 64.21 64.25 3hki n SER 214 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hki s ALA 215 N -2.27 -1.64 0.70 -1.46 0.00 -0.10 -4.93 121.76 112.06 3hki s ALA 215 Ca -0.10 -0.69 -0.16 0.00 0.00 0.00 0.00 51.96 51.01 3hki s ALA 215 Cb 0.04 -2.57 -0.02 0.00 0.00 0.00 0.00 23.12 20.57 3hki s ALA 215 CO 0.41 -2.20 0.82 0.41 0.00 0.00 0.00 175.76 175.19 3hki n GLY 216 N 2.94 -0.79 1.13 0.00 0.00 -1.26 -1.38 105.19 105.83 3hki n GLY 216 Ca 0.20 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.97 3hki n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hki n ALA 217 N -2.36 2.82 -2.11 4.61 0.00 -0.87 -4.81 120.51 117.79 3hki n ALA 217 Ca 0.12 -1.68 -0.21 0.00 0.00 0.00 0.00 53.44 51.67 3hki n ALA 217 Cb 0.49 -0.76 0.06 0.00 0.00 0.00 0.00 19.45 19.24 3hki n ALA 217 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hki s GLY 219 N -1.23 1.83 0.00 0.00 0.00 -0.45 -2.76 107.32 104.71 3hki s GLY 219 Ca 0.41 -2.02 0.00 0.00 0.00 0.00 0.00 44.72 43.11 3hki s GLY 219 CO 0.17 -1.76 0.00 0.00 0.00 0.00 0.00 173.10 171.51 3hki h ASP 221 N 4.67 0.00 -0.40 0.00 3.32 -1.89 -3.24 116.42 118.88 3hki h ASP 221 Ca 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 3hki h ASP 221 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3hki h ASP 221 CO 0.00 0.04 -0.35 -0.09 -1.72 0.00 0.00 179.24 177.12 3hki h ARG 221 N 0.00 0.94 -1.19 3.56 9.65 -1.72 -3.49 114.38 122.12 3hki h ARG 221 Ca -0.00 -0.48 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 3hki h ARG 221 Cb 0.28 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 3hki h ARG 221 CO 0.00 1.13 0.00 1.63 2.80 0.00 0.00 179.97 185.54 3hki n LYS 222 N -4.09 -0.01 -4.03 0.20 4.76 -1.11 -4.95 118.16 108.94 3hki n LYS 222 Ca -0.02 0.01 -0.11 0.00 -2.87 0.00 0.00 58.31 55.31 3hki n LYS 222 Cb 0.53 -0.15 -0.05 0.00 -1.84 0.00 0.00 35.03 33.52 3hki n LYS 222 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3hki s GLY 223 N 0.00 0.94 0.00 0.72 0.00 -1.21 -5.04 107.32 102.73 3hki s GLY 223 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.56 3hki s GLY 223 CO 0.00 -0.79 0.68 0.28 0.00 0.00 0.00 173.10 173.27 3hki n LYS 224 N -0.45 0.00 -4.14 2.90 5.02 -1.26 -4.86 118.16 115.37 3hki n LYS 224 Ca -0.01 0.23 -0.23 0.00 -2.02 0.00 0.00 58.31 56.27 3hki n LYS 224 Cb 0.62 -1.20 -0.05 0.00 -0.02 0.00 0.00 35.03 34.38 3hki n LYS 224 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3hki s TYR 225 N -1.82 3.05 0.36 2.13 2.02 -1.26 -4.91 117.35 116.92 3hki s TYR 225 Ca 0.00 -0.10 -0.16 0.00 -0.37 0.00 0.00 57.07 56.43 3hki s TYR 225 Cb 0.00 -1.40 -0.09 0.00 -0.40 0.00 0.00 41.96 40.07 3hki s TYR 225 CO 0.00 0.53 0.80 0.20 -1.57 0.00 0.00 175.55 175.51 3hki s GLY 226 N -3.57 2.31 -0.05 0.71 0.00 -0.81 -4.50 107.32 101.41 3hki s GLY 226 Ca 0.32 0.12 0.03 0.00 0.00 0.00 0.00 44.72 45.19 3hki s GLY 226 CO 0.23 0.35 -0.11 -1.36 0.00 0.00 0.00 173.10 172.21 3hki s PHE 227 N -2.08 2.80 0.02 1.90 0.40 -0.48 -1.77 117.98 118.78 3hki s PHE 227 Ca 0.56 -0.08 0.06 0.00 -0.60 0.00 0.00 56.93 56.87 3hki s PHE 227 Cb -0.10 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.76 3hki s PHE 227 CO 0.18 0.26 -0.17 0.71 0.70 0.00 0.00 175.22 176.90 3hki s TYR 228 N -0.80 1.47 0.22 0.36 1.51 0.42 -0.92 117.35 119.62 3hki s TYR 228 Ca 0.13 -0.33 -0.30 0.00 -1.01 0.00 0.00 57.07 55.56 3hki s TYR 228 Cb -0.11 -0.90 -0.09 0.00 -0.11 0.00 0.00 41.96 40.75 3hki s TYR 228 CO 0.02 0.03 1.17 0.99 -1.11 0.00 0.00 175.55 176.64 3hki s THR 229 N -0.65 3.51 -0.81 -0.71 2.01 -0.33 -1.44 115.64 117.22 3hki s THR 229 Ca 0.05 1.35 -0.25 0.00 0.31 0.00 0.00 61.69 63.15 3hki s THR 229 Cb -0.07 -3.86 0.04 0.00 0.01 0.00 0.00 72.50 68.61 3hki s THR 229 CO 0.01 0.26 1.29 -2.28 -0.69 0.00 0.00 174.62 173.20 3hki s HIS 230 N -0.47 2.40 0.13 4.92 2.46 0.29 -2.34 115.29 122.68 3hki s HIS 230 Ca 0.50 -0.33 -0.30 0.00 0.47 0.00 0.00 55.06 55.40 3hki s HIS 230 Cb -0.33 -4.61 -0.07 0.00 -0.13 0.00 0.00 32.58 27.45 3hki s HIS 230 CO 0.39 -1.99 1.58 0.28 -2.47 0.00 0.00 174.74 172.53 3hki h VAL 231 N 6.21 0.11 -0.63 0.89 2.07 -1.53 -2.44 116.25 120.93 3hki h VAL 231 Ca -0.15 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.47 3hki h VAL 231 Cb 1.04 0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 30.85 3hki h VAL 231 CO 1.30 0.00 0.23 0.15 0.02 0.00 0.00 177.57 179.28 3hki h PHE 232 N -0.52 0.40 0.00 1.57 3.57 -1.87 0.36 116.94 120.46 3hki h PHE 232 Ca 0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3hki h PHE 232 Cb 0.64 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.30 3hki h PHE 232 CO -0.50 0.09 0.14 0.00 -2.23 0.00 0.00 178.31 175.81 3hki h ARG 233 N 0.41 0.00 -0.11 1.11 2.47 -1.82 0.29 114.38 116.73 3hki h ARG 233 Ca 0.32 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.04 3hki h ARG 233 Cb 0.42 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 3hki h ARG 233 CO -0.33 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.48 3hki n LEU 234 N -2.66 2.08 -0.17 3.04 4.32 0.11 -4.69 117.00 119.04 3hki n LEU 234 Ca -0.02 -1.48 0.20 0.00 -0.02 0.00 0.00 56.01 54.69 3hki n LEU 234 Cb 0.19 -0.07 0.59 0.00 -1.62 0.00 0.00 43.42 42.50 3hki n LEU 234 CO 0.13 0.48 1.22 0.50 -1.22 0.00 0.00 177.39 178.51 3hki h LYS 235 N 1.36 0.24 -0.31 3.23 3.64 0.14 -1.65 116.57 123.23 3hki h LYS 235 Ca 0.00 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 3hki h LYS 235 Cb 0.47 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3hki h LYS 235 CO 0.00 0.16 -0.26 -0.09 -2.27 0.00 0.00 179.45 176.99 3hki h ARG 236 N 0.25 0.71 -0.48 1.90 2.43 -1.84 -2.76 114.38 114.60 3hki h ARG 236 Ca 0.40 -0.36 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3hki h ARG 236 Cb 1.18 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 3hki h ARG 236 CO -0.10 0.97 0.14 2.35 -1.51 0.00 0.00 179.97 181.83 3hki h TRP 237 N 0.47 0.72 -0.33 2.20 7.01 -1.67 -0.52 115.95 123.83 3hki h TRP 237 Ca 0.05 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 3hki h TRP 237 Cb 0.82 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.65 3hki h TRP 237 CO 0.07 0.59 0.15 0.82 -2.79 0.00 0.00 178.44 177.28 3hki h ILE 238 N 0.69 1.12 0.00 2.65 2.04 -1.16 -0.04 117.51 122.81 3hki h ILE 238 Ca 0.16 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 3hki h ILE 238 Cb 0.22 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3hki h ILE 238 CO -0.01 0.14 -0.06 1.56 0.00 0.00 0.00 178.15 179.78 3hki h GLN 239 N 0.45 0.00 -0.95 2.37 4.20 -1.14 -1.79 115.11 118.25 3hki h GLN 239 Ca 0.12 0.00 0.29 0.00 0.06 0.00 0.00 58.65 59.12 3hki h GLN 239 Cb 0.06 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.69 3hki h GLN 239 CO -0.02 0.93 0.35 -0.22 -0.67 0.00 0.00 178.83 179.21 3hki h LYS 240 N -1.00 0.18 0.08 1.46 3.11 -0.82 0.91 116.57 120.49 3hki h LYS 240 Ca -0.02 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.81 3hki h LYS 240 Cb 0.95 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.14 3hki h LYS 240 CO -0.01 0.12 -0.04 0.28 -2.81 0.00 0.00 179.45 176.99 3hki h VAL 241 N 0.19 1.19 0.00 2.00 2.07 -1.04 -2.95 116.25 117.70 3hki h VAL 241 Ca 0.66 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3hki h VAL 241 Cb 1.46 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.23 3hki h VAL 241 CO -0.69 0.31 0.00 -0.38 0.02 0.00 0.00 177.57 176.83 3hki n ILE 242 N -4.85 0.00 -0.26 4.57 5.41 -0.22 -0.15 119.36 123.86 3hki n ILE 242 Ca -0.08 1.33 0.25 0.00 1.00 0.00 0.00 62.75 65.25 3hki n ILE 242 Cb 0.29 -2.33 0.47 0.00 -0.71 0.00 0.00 39.64 37.36 3hki n ILE 242 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3hki n ASP 243 N -1.49 0.27 0.12 4.38 10.43 0.15 -0.52 116.55 129.88 3hki n ASP 243 Ca 0.00 1.34 0.07 0.00 2.57 0.00 0.00 54.79 58.76 3hki n ASP 243 Cb 0.00 -0.65 0.02 0.00 1.84 0.00 0.00 41.12 42.34 3hki n ASP 243 CO 0.00 0.00 0.00 -0.61 -1.07 0.00 0.00 177.20 175.52 3hki h GLN 244 N 0.00 0.00 0.00 -1.24 4.15 -1.32 -3.41 115.11 113.29 3hki h GLN 244 Ca 0.68 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.10 3hki h GLN 244 Cb 1.78 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.47 3hki h GLN 244 CO -0.62 0.19 0.00 1.19 -1.93 0.00 0.00 178.83 177.65 3hki n PHE 245 N -2.95 0.00 -0.98 3.99 3.01 0.79 -5.06 117.46 116.27 3hki n PHE 245 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 3hki n PHE 245 Cb 0.66 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.13 3hki n PHE 245 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18