#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkj s VAL 17 N 0.00 3.88 -1.14 1.39 1.01 0.74 -4.02 120.40 122.27 3hkj s VAL 17 Ca 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.61 3hkj s VAL 17 Cb 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.70 3hkj s VAL 17 CO 0.00 0.51 0.02 -0.62 0.00 0.00 0.00 175.10 175.01 3hkj n GLU 18 N 3.30 -1.17 0.00 2.72 -0.58 -1.26 -1.95 120.64 121.69 3hkj n GLU 18 Ca -0.18 0.64 0.00 0.00 -0.42 0.00 0.00 57.16 57.21 3hkj n GLU 18 Cb 0.53 -4.88 0.00 0.00 -0.57 0.00 0.00 31.44 26.51 3hkj n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hkj n GLY 19 N -1.02 2.90 3.76 0.62 0.00 -1.26 -4.84 105.19 105.35 3hkj n GLY 19 Ca -0.15 -1.89 -0.08 0.00 0.00 0.00 0.00 46.02 43.89 3hkj n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hkj s SER 20 N -0.43 -0.18 0.32 1.61 1.04 -0.03 -4.91 113.70 111.12 3hkj s SER 20 Ca 0.00 -0.75 -0.29 0.00 0.48 0.00 0.00 55.95 55.39 3hkj s SER 20 Cb 0.00 0.68 -0.10 0.00 0.10 0.00 0.00 66.02 66.70 3hkj s SER 20 CO 0.00 -1.29 1.40 -1.81 0.98 0.00 0.00 173.24 172.52 3hkj s ASP 21 N -2.96 6.60 0.49 7.02 1.11 -1.26 -0.41 116.67 127.27 3hkj s ASP 21 Ca 0.15 2.80 -0.16 0.00 0.18 0.00 0.00 52.55 55.52 3hkj s ASP 21 Cb -0.04 -2.65 -0.08 0.00 1.07 0.00 0.00 42.92 41.22 3hkj s ASP 21 CO 0.08 -0.69 0.96 0.00 1.18 0.00 0.00 175.17 176.70 3hkj s ALA 22 N -0.80 3.10 0.48 5.23 0.00 0.15 -4.76 121.76 125.17 3hkj s ALA 22 Ca 0.53 0.15 -0.08 0.00 0.00 0.00 0.00 51.96 52.56 3hkj s ALA 22 Cb -0.43 -3.07 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 3hkj s ALA 22 CO 0.53 -0.18 0.83 -1.21 0.00 0.00 0.00 175.76 175.73 3hkj s GLU 23 N -3.97 3.63 0.07 0.00 2.02 -1.26 -4.94 118.70 114.24 3hkj s GLU 23 Ca 0.58 0.38 -0.31 0.00 0.02 0.00 0.00 54.97 55.65 3hkj s GLU 23 Cb -0.10 -2.33 -0.09 0.00 0.10 0.00 0.00 34.13 31.72 3hkj s GLU 23 CO 0.30 -0.22 1.77 0.42 0.02 0.00 0.00 175.26 177.55 3hkj s ILE 24 N -2.71 2.94 -0.55 -1.63 -1.09 -1.26 -1.96 121.20 114.94 3hkj s ILE 24 Ca 0.50 0.28 0.00 0.00 -2.23 0.00 0.00 60.65 59.20 3hkj s ILE 24 Cb -0.10 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.59 3hkj s ILE 24 CO 0.42 -0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.73 3hkj n GLY 25 N 4.19 0.71 0.09 6.18 0.00 -1.26 -4.92 105.19 110.18 3hkj n GLY 25 Ca 0.17 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 3hkj n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3hkj h MET 26 N 0.00 0.19 -2.09 1.61 -1.53 -1.76 -3.36 114.93 107.98 3hkj h MET 26 Ca -0.11 -0.31 -0.54 0.00 -3.44 0.00 0.00 59.70 55.29 3hkj h MET 26 Cb 0.44 0.12 -0.41 0.00 -0.55 0.00 0.00 31.60 31.20 3hkj h MET 26 CO 0.16 1.14 -0.96 0.45 0.14 0.00 0.00 176.91 177.84 3hkj n SER 27 N -3.48 1.95 0.24 1.39 2.88 -1.26 -4.95 113.62 110.39 3hkj n SER 27 Ca -0.06 -3.15 0.13 0.00 -1.33 0.00 0.00 58.87 54.46 3hkj n SER 27 Cb 0.99 -0.62 0.72 0.00 -0.75 0.00 0.00 64.21 64.55 3hkj n SER 27 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3hkj h PRO 28 N 3.41 0.00 -0.01 -1.46 0.13 -1.77 0.43 132.00 132.73 3hkj h PRO 28 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3hkj h PRO 28 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3hkj h PRO 28 CO 0.61 0.00 -0.32 -2.67 -0.23 0.00 0.00 178.00 175.39 3hkj n TRP 29 N -2.53 0.00 -1.85 1.56 2.14 -0.93 -1.85 117.44 113.98 3hkj n TRP 29 Ca -0.02 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.13 3hkj n TRP 29 Cb 0.20 -0.04 -0.03 0.00 -0.81 0.00 0.00 31.31 30.63 3hkj n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3hkj s GLN 30 N -2.41 4.18 0.05 -2.67 2.00 0.14 -0.41 119.66 120.54 3hkj s GLN 30 Ca 0.23 2.47 0.07 0.00 -2.00 0.00 0.00 55.36 56.13 3hkj s GLN 30 Cb 0.19 -3.11 -0.03 0.00 0.80 0.00 0.00 33.01 30.87 3hkj s GLN 30 CO 0.51 -0.64 -0.21 0.08 -0.50 0.00 0.00 175.29 174.53 3hkj s VAL 31 N 0.91 1.68 -0.23 1.34 1.01 -0.25 -3.97 120.40 120.88 3hkj s VAL 31 Ca 0.70 -1.24 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 3hkj s VAL 31 Cb -0.46 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 3hkj s VAL 31 CO 0.35 0.18 0.01 -0.32 0.00 0.00 0.00 175.10 175.31 3hkj s MET 32 N -1.26 3.52 -0.48 2.72 1.75 -0.56 -1.34 119.30 123.65 3hkj s MET 32 Ca 0.07 -0.55 -0.23 0.00 -1.25 0.00 0.00 55.69 53.73 3hkj s MET 32 Cb -0.09 -3.14 0.03 0.00 2.84 0.00 0.00 34.83 34.47 3hkj s MET 32 CO 0.02 -0.17 0.81 -1.17 -0.65 0.00 0.00 175.02 173.86 3hkj s LEU 33 N 1.48 4.28 -0.21 4.11 2.96 -0.17 -1.22 118.68 129.90 3hkj s LEU 33 Ca 0.06 -0.22 -0.05 0.00 -0.22 0.00 0.00 54.13 53.69 3hkj s LEU 33 Cb -0.15 -2.90 -0.02 0.00 0.50 0.00 0.00 46.19 43.62 3hkj s LEU 33 CO 0.00 -0.98 0.01 0.12 -1.32 0.00 0.00 176.35 174.18 3hkj s PHE 34 N 3.38 3.05 -0.06 5.38 2.19 -0.24 -0.16 117.98 131.52 3hkj s PHE 34 Ca 0.29 -0.46 -0.30 0.00 0.33 0.00 0.00 56.93 56.79 3hkj s PHE 34 Cb -0.13 -2.11 -0.03 0.00 -1.31 0.00 0.00 43.02 39.45 3hkj s PHE 34 CO 0.21 -0.27 1.08 0.50 1.83 0.00 0.00 175.22 178.58 3hkj s ARG 35 N 1.11 4.42 0.24 10.12 3.52 0.31 -1.44 118.95 137.24 3hkj s ARG 35 Ca 0.03 1.52 -0.05 0.00 -0.13 0.00 0.00 55.73 57.10 3hkj s ARG 35 Cb -0.14 -3.51 0.25 0.00 -1.56 0.00 0.00 34.95 29.99 3hkj s ARG 35 CO 0.02 -0.31 1.76 0.87 -0.81 0.00 0.00 175.30 176.83 3hkj h LYS 36 N 7.13 0.97 -1.65 5.12 1.57 -1.52 -2.33 116.57 125.87 3hkj h LYS 36 Ca -0.35 -0.23 0.10 0.00 -1.87 0.00 0.00 60.65 58.31 3hkj h LYS 36 Cb 1.17 -0.13 -0.21 0.00 0.08 0.00 0.00 32.23 33.14 3hkj h LYS 36 CO 0.84 0.88 -0.06 0.45 -0.57 0.00 0.00 179.45 180.99 3hkj s SER 36 N -6.54 -1.04 0.17 0.86 0.15 -1.26 -2.99 113.70 103.06 3hkj s SER 36 Ca -0.11 1.31 -0.31 0.00 0.70 0.00 0.00 55.95 57.55 3hkj s SER 36 Cb 0.15 2.14 -0.09 0.00 -1.71 0.00 0.00 66.02 66.50 3hkj s SER 36 CO 0.83 -0.20 1.44 -2.16 1.20 0.00 0.00 173.24 174.34 3hkj s PRO 37 N 2.80 4.29 -0.22 5.44 0.04 -1.26 -5.06 135.00 141.03 3hkj s PRO 37 Ca -0.02 2.20 -0.36 0.00 0.04 0.00 0.00 61.00 62.86 3hkj s PRO 37 Cb -0.11 -3.19 -0.12 0.00 0.04 0.00 0.00 34.50 31.12 3hkj s PRO 37 CO -0.19 -0.45 1.95 1.04 0.04 0.00 0.00 177.00 179.39 3hkj n GLN 38 N 3.42 1.60 -3.58 4.56 6.02 -1.16 -4.72 117.38 123.52 3hkj n GLN 38 Ca 0.10 0.55 -0.06 0.00 -0.01 0.00 0.00 57.00 57.59 3hkj n GLN 38 Cb 0.41 -2.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.16 3hkj n GLN 38 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3hkj s GLU 39 N 4.67 0.71 0.05 -1.09 -1.05 -0.88 -4.98 118.70 116.14 3hkj s GLU 39 Ca 0.99 -0.31 -0.31 0.00 -0.15 0.00 0.00 54.97 55.20 3hkj s GLU 39 Cb -0.82 0.30 -0.07 0.00 -0.44 0.00 0.00 34.13 33.10 3hkj s GLU 39 CO 0.54 -0.32 1.39 -1.17 0.95 0.00 0.00 175.26 176.65 3hkj s LEU 40 N -2.54 4.35 -0.01 1.83 2.96 -1.26 -0.53 118.68 123.48 3hkj s LEU 40 Ca 0.08 2.20 -0.01 0.00 -0.22 0.00 0.00 54.13 56.19 3hkj s LEU 40 Cb -0.00 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 43.11 3hkj s LEU 40 CO -0.05 -0.67 -0.01 0.18 -1.32 0.00 0.00 176.35 174.47 3hkj n LEU 41 N 4.67 0.07 0.00 -0.68 4.77 0.77 -4.85 117.00 121.75 3hkj n LEU 41 Ca 0.12 0.14 -0.11 0.00 -0.03 0.00 0.00 56.01 56.13 3hkj n LEU 41 Cb 0.43 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 3hkj n LEU 41 CO 0.58 -0.50 0.10 0.00 -1.33 0.00 0.00 177.39 176.24 3hkj s GLY 43 N -2.53 1.77 0.06 0.00 0.00 -0.08 -1.00 107.32 105.53 3hkj s GLY 43 Ca 0.21 -2.03 -0.18 0.00 0.00 0.00 0.00 44.72 42.72 3hkj s GLY 43 CO 0.15 -1.62 0.85 0.00 0.00 0.00 0.00 173.10 172.48 3hkj n ALA 44 N -2.20 -2.31 -3.01 3.20 0.00 -0.45 -3.86 120.51 111.89 3hkj n ALA 44 Ca 0.14 -0.66 -0.11 0.00 0.00 0.00 0.00 53.44 52.81 3hkj n ALA 44 Cb 0.61 0.26 -0.09 0.00 0.00 0.00 0.00 19.45 20.22 3hkj n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hkj s SER 45 N -2.93 0.04 -0.37 0.00 1.04 0.05 -1.09 113.70 110.43 3hkj s SER 45 Ca 0.19 -0.27 -0.18 0.00 0.48 0.00 0.00 55.95 56.17 3hkj s SER 45 Cb -0.01 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.34 3hkj s SER 45 CO 0.02 -0.43 0.50 -0.22 0.98 0.00 0.00 173.24 174.09 3hkj s LEU 46 N -1.62 4.46 -0.01 2.42 2.96 0.46 -0.43 118.68 126.92 3hkj s LEU 46 Ca -0.12 -0.20 0.13 0.00 -0.22 0.00 0.00 54.13 53.73 3hkj s LEU 46 Cb -0.05 -2.54 -0.17 0.00 0.50 0.00 0.00 46.19 43.92 3hkj s LEU 46 CO -0.00 -0.51 0.44 2.30 -1.32 0.00 0.00 176.35 177.26 3hkj n ILE 47 N 5.45 0.00 -3.68 6.68 -5.35 -0.88 -1.17 119.36 120.41 3hkj n ILE 47 Ca -0.05 -0.25 -0.06 0.00 -0.27 0.00 0.00 62.75 62.12 3hkj n ILE 47 Cb 0.49 0.63 -0.01 0.00 -1.74 0.00 0.00 39.64 39.00 3hkj n ILE 47 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 3hkj n SER 48 N -1.62 -0.68 -0.64 7.28 2.88 -1.13 -4.64 113.62 115.07 3hkj n SER 48 Ca 0.00 -1.79 0.11 0.00 -1.33 0.00 0.00 58.87 55.86 3hkj n SER 48 Cb 0.27 1.22 0.37 0.00 -0.75 0.00 0.00 64.21 65.32 3hkj n SER 48 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3hkj n ASP 49 N -1.76 1.94 0.00 -3.46 5.75 -1.26 -4.05 116.55 113.71 3hkj n ASP 49 Ca -0.01 -1.72 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 3hkj n ASP 49 Cb 0.25 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 3hkj n ASP 49 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3hkj n ARG 50 N 0.51 0.00 -4.81 0.11 0.63 -1.26 -1.01 116.66 110.83 3hkj n ARG 50 Ca 0.17 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.81 3hkj n ARG 50 Cb 0.39 -0.18 -0.17 0.00 0.45 0.00 0.00 32.46 32.94 3hkj n ARG 50 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3hkj s TRP 51 N 0.00 2.13 -0.06 -0.14 0.52 -1.26 -0.26 118.94 119.88 3hkj s TRP 51 Ca 0.00 -0.91 0.04 0.00 0.02 0.00 0.00 56.10 55.25 3hkj s TRP 51 Cb 0.00 -1.48 -0.02 0.00 -1.15 0.00 0.00 33.47 30.82 3hkj s TRP 51 CO 0.00 -0.41 -0.19 0.08 0.02 0.00 0.00 176.95 176.45 3hkj s VAL 52 N 0.63 2.65 -0.05 4.03 1.01 -0.18 -2.08 120.40 126.41 3hkj s VAL 52 Ca -0.14 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 3hkj s VAL 52 Cb -0.16 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 3hkj s VAL 52 CO 0.04 0.57 0.00 -0.22 0.00 0.00 0.00 175.10 175.49 3hkj s LEU 53 N -0.43 3.54 0.00 3.92 2.96 0.42 -0.88 118.68 128.22 3hkj s LEU 53 Ca 0.05 0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 54.00 3hkj s LEU 53 Cb -0.12 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.68 3hkj s LEU 53 CO 0.02 0.33 0.20 1.07 -1.32 0.00 0.00 176.35 176.65 3hkj n THR 54 N 1.81 0.00 -3.49 3.68 5.66 -0.43 -0.77 114.28 120.73 3hkj n THR 54 Ca -0.17 -0.37 -0.38 0.00 -3.05 0.00 0.00 64.05 60.08 3hkj n THR 54 Cb 0.53 0.30 -0.06 0.00 -1.55 0.00 0.00 70.33 69.56 3hkj n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hkj s ALA 55 N -1.52 3.69 0.18 1.79 0.00 -1.26 -1.09 121.76 123.55 3hkj s ALA 55 Ca 0.06 -0.21 -0.12 0.00 0.00 0.00 0.00 51.96 51.68 3hkj s ALA 55 Cb -0.01 -2.39 0.08 0.00 0.00 0.00 0.00 23.12 20.80 3hkj s ALA 55 CO 0.04 0.48 1.77 0.00 0.00 0.00 0.00 175.76 178.05 3hkj h ALA 56 N 4.64 0.78 0.00 0.00 0.00 -1.68 -2.77 119.26 120.24 3hkj h ALA 56 Ca -0.51 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3hkj h ALA 56 Cb 1.22 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3hkj h ALA 56 CO 0.62 0.33 0.00 -2.39 0.00 0.00 0.00 179.25 177.81 3hkj n HIS 57 N -4.53 0.74 0.13 0.00 1.44 -1.26 -0.89 115.22 110.85 3hkj n HIS 57 Ca 0.04 0.39 -0.01 0.00 -2.01 0.00 0.00 57.72 56.12 3hkj n HIS 57 Cb 0.12 -1.12 0.12 0.00 0.12 0.00 0.00 29.99 29.23 3hkj n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hkj n LEU 59 N -3.62 2.64 -3.97 0.00 4.77 -0.35 -4.88 117.00 111.60 3hkj n LEU 59 Ca -0.01 -0.11 -0.24 0.00 -0.03 0.00 0.00 56.01 55.63 3hkj n LEU 59 Cb 0.68 -0.66 -0.17 0.00 -2.33 0.00 0.00 43.42 40.95 3hkj n LEU 59 CO 0.42 0.83 -0.45 -0.22 -1.33 0.00 0.00 177.39 176.65 3hkj s LEU 60 N -6.21 1.47 0.12 2.23 2.96 -0.07 -1.18 118.68 118.00 3hkj s LEU 60 Ca -0.28 -0.25 -0.25 0.00 -0.22 0.00 0.00 54.13 53.13 3hkj s LEU 60 Cb 0.08 -0.72 0.07 0.00 0.50 0.00 0.00 46.19 46.12 3hkj s LEU 60 CO 0.55 -0.02 0.74 -0.47 -1.32 0.00 0.00 176.35 175.83 3hkj s TYR 60 N 0.90 -0.40 0.00 5.38 5.04 -0.22 -4.11 117.35 123.94 3hkj s TYR 60 Ca -0.11 0.18 0.00 0.00 -2.44 0.00 0.00 57.07 54.71 3hkj s TYR 60 Cb -0.15 0.58 0.00 0.00 0.35 0.00 0.00 41.96 42.74 3hkj s TYR 60 CO 0.01 -0.79 0.00 -0.35 -1.34 0.00 0.00 175.55 173.08 3hkj n PRO 60 N -0.35 0.00 -0.65 4.97 -0.04 -1.26 -1.60 135.00 136.07 3hkj n PRO 60 Ca -0.12 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.42 3hkj n PRO 60 Cb 0.63 0.00 0.33 0.00 -0.04 0.00 0.00 33.50 34.42 3hkj n PRO 60 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3hkj n TRP 60 N 0.00 1.47 -3.76 0.54 8.01 -1.26 -4.95 117.44 117.49 3hkj n TRP 60 Ca 0.00 -0.77 -0.30 0.00 -1.31 0.00 0.00 57.50 55.13 3hkj n TRP 60 Cb 0.00 -0.38 0.03 0.00 -2.01 0.00 0.00 31.31 28.95 3hkj n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 3hkj n ASP 60 N 0.20 -3.75 -4.28 -0.99 8.00 -1.10 -4.97 116.55 109.66 3hkj n ASP 60 Ca 0.24 -1.01 -0.34 0.00 0.71 0.00 0.00 54.79 54.39 3hkj n ASP 60 Cb 1.00 -3.31 -0.14 0.00 -0.02 0.00 0.00 41.12 38.65 3hkj n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3hkj s LYS 60 N -6.16 3.30 -0.50 -1.24 2.20 -0.63 -5.02 119.74 111.69 3hkj s LYS 60 Ca 0.33 -0.68 0.07 0.00 -0.36 0.00 0.00 55.97 55.33 3hkj s LYS 60 Cb -0.12 -2.87 0.19 0.00 -1.51 0.00 0.00 37.83 33.52 3hkj s LYS 60 CO 0.87 -0.15 0.68 -1.71 -0.36 0.00 0.00 175.35 174.68 3hkj n ASN 60 N 4.61 -3.02 -4.71 1.43 5.15 -1.23 -1.06 115.26 116.43 3hkj n ASN 60 Ca -0.19 -2.86 -0.42 0.00 -0.60 0.00 0.00 54.58 50.52 3hkj n ASN 60 Cb 0.51 1.43 -0.03 0.00 -0.53 0.00 0.00 39.78 41.16 3hkj n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3hkj s PHE 60 N 0.74 3.40 0.30 1.20 0.08 -0.33 -5.03 117.98 118.34 3hkj s PHE 60 Ca 0.31 1.24 0.07 0.00 0.12 0.00 0.00 56.93 58.66 3hkj s PHE 60 Cb 0.01 -3.46 -0.02 0.00 -0.57 0.00 0.00 43.02 38.97 3hkj s PHE 60 CO -0.08 -1.47 0.33 0.95 -0.10 0.00 0.00 175.22 174.86 3hkj s THR 60 N 1.09 4.25 0.58 0.64 -4.23 -1.26 -4.90 115.64 111.81 3hkj s THR 60 Ca 0.60 -1.20 0.40 0.00 -1.18 0.00 0.00 61.69 60.31 3hkj s THR 60 Cb -0.31 -3.44 0.59 0.00 1.34 0.00 0.00 72.50 70.69 3hkj s THR 60 CO 0.29 -0.24 1.53 -0.33 -0.54 0.00 0.00 174.62 175.33 3hkj h GLU 61 N 1.19 0.00 0.00 3.99 3.07 -1.93 0.71 114.58 121.62 3hkj h GLU 61 Ca -0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 3hkj h GLU 61 Cb 1.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 3hkj h GLU 61 CO 0.58 0.00 -0.82 -0.91 -1.40 0.00 0.00 179.01 176.46 3hkj h ASN 62 N 0.00 0.00 1.28 1.42 2.35 -1.94 -3.33 115.58 115.36 3hkj h ASN 62 Ca 0.71 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 56.29 3hkj h ASN 62 Cb 3.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 41.56 3hkj h ASN 62 CO -0.01 0.09 0.00 0.47 -1.65 0.00 0.00 177.43 176.33 3hkj n ASP 63 N -2.27 0.51 -4.62 5.81 8.00 0.24 -4.90 116.55 119.32 3hkj n ASP 63 Ca 0.02 0.55 -0.28 0.00 0.71 0.00 0.00 54.79 55.79 3hkj n ASP 63 Cb 0.48 -0.69 -0.11 0.00 -0.02 0.00 0.00 41.12 40.78 3hkj n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hkj s LEU 64 N -3.96 2.82 0.06 0.64 2.01 -1.24 -1.35 118.68 117.65 3hkj s LEU 64 Ca 0.12 -1.39 -0.09 0.00 0.01 0.00 0.00 54.13 52.78 3hkj s LEU 64 Cb 0.15 -0.87 -0.00 0.00 0.01 0.00 0.00 46.19 45.47 3hkj s LEU 64 CO 0.57 -0.48 0.18 -0.76 1.01 0.00 0.00 176.35 176.87 3hkj s LEU 65 N -3.71 1.44 -0.14 1.79 1.43 -0.52 -4.56 118.68 114.41 3hkj s LEU 65 Ca 0.33 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 3hkj s LEU 65 Cb 0.09 0.94 0.01 0.00 0.03 0.00 0.00 46.19 47.27 3hkj s LEU 65 CO 0.17 -0.61 -0.19 0.68 0.23 0.00 0.00 176.35 176.63 3hkj s VAL 66 N -3.01 1.85 -0.29 -1.59 -7.23 -0.58 -1.08 120.40 108.47 3hkj s VAL 66 Ca -0.02 -0.84 -0.08 0.00 -1.81 0.00 0.00 61.98 59.23 3hkj s VAL 66 Cb 0.01 -1.66 -0.01 0.00 0.56 0.00 0.00 36.38 35.28 3hkj s VAL 66 CO -0.06 0.51 0.12 -0.13 -0.31 0.00 0.00 175.10 175.22 3hkj s ARG 67 N 1.03 3.36 0.03 4.82 0.52 -0.36 -1.19 118.95 127.16 3hkj s ARG 67 Ca -0.03 -0.69 0.03 0.00 -0.52 0.00 0.00 55.73 54.51 3hkj s ARG 67 Cb -0.15 -3.47 -0.04 0.00 0.52 0.00 0.00 34.95 31.82 3hkj s ARG 67 CO -0.05 -0.37 -0.00 0.42 0.02 0.00 0.00 175.30 175.32 3hkj s ILE 68 N 1.59 4.09 -0.55 1.52 1.01 0.37 -1.50 121.20 127.73 3hkj s ILE 68 Ca 0.05 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.96 3hkj s ILE 68 Cb -0.17 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.44 3hkj s ILE 68 CO 0.05 0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.89 3hkj n GLY 69 N 1.13 0.13 3.93 6.18 0.00 -1.25 -0.58 105.19 114.73 3hkj n GLY 69 Ca -0.13 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.01 3hkj n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkj s LYS 70 N -4.26 3.46 0.11 1.61 1.02 -1.26 -4.20 119.74 116.22 3hkj s LYS 70 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 55.97 55.82 3hkj s LYS 70 Cb 0.00 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 3hkj s LYS 70 CO 0.00 -0.02 0.00 1.58 -0.92 0.00 0.00 175.35 175.99 3hkj n HIS 71 N -1.98 -0.83 -2.32 3.18 -0.00 -1.26 -4.91 115.22 107.10 3hkj n HIS 71 Ca -0.02 0.15 -0.38 0.00 -0.00 0.00 0.00 57.72 57.46 3hkj n HIS 71 Cb 0.56 0.34 -0.02 0.00 -0.00 0.00 0.00 29.99 30.86 3hkj n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3hkj s SER 72 N -5.20 6.64 -0.04 0.26 0.15 -1.26 -0.87 113.70 113.38 3hkj s SER 72 Ca 0.00 2.34 -0.23 0.00 0.70 0.00 0.00 55.95 58.76 3hkj s SER 72 Cb 0.00 -2.62 -0.25 0.00 -1.71 0.00 0.00 66.02 61.45 3hkj s SER 72 CO 0.00 -0.59 1.02 -0.09 1.20 0.00 0.00 173.24 174.77 3hkj h ARG 73 N 2.81 0.25 0.00 5.44 2.43 -1.46 -3.41 114.38 120.44 3hkj h ARG 73 Ca -0.48 -0.29 -0.10 0.00 -0.81 0.00 0.00 59.98 58.30 3hkj h ARG 73 Cb 1.23 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.85 3hkj h ARG 73 CO 0.63 1.02 -1.72 0.25 -1.51 0.00 0.00 179.97 178.64 3hkj n THR 74 N -4.38 0.36 -2.13 0.20 -2.24 -1.26 -5.00 114.28 99.82 3hkj n THR 74 Ca -0.10 -0.40 -0.40 0.00 -2.27 0.00 0.00 64.05 60.87 3hkj n THR 74 Cb 0.59 -0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.64 3hkj n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3hkj s ARG 75 N -2.68 4.26 -0.53 -0.78 1.81 -1.26 -4.94 118.95 114.83 3hkj s ARG 75 Ca -0.05 2.16 -0.26 0.00 -1.72 0.00 0.00 55.73 55.86 3hkj s ARG 75 Cb 0.07 -2.98 0.03 0.00 -0.45 0.00 0.00 34.95 31.62 3hkj s ARG 75 CO 0.55 -0.24 1.02 -0.47 -0.68 0.00 0.00 175.30 175.47 3hkj s TYR 76 N -1.19 2.78 -1.35 -0.53 6.04 -1.26 -4.84 117.35 117.00 3hkj s TYR 76 Ca 0.51 0.27 -0.13 0.00 0.04 0.00 0.00 57.07 57.76 3hkj s TYR 76 Cb -0.38 -4.19 0.10 0.00 -1.04 0.00 0.00 41.96 36.44 3hkj s TYR 76 CO 0.51 -1.34 1.98 0.39 -1.54 0.00 0.00 175.55 175.54 3hkj n GLU 77 N 7.67 3.22 -1.54 4.97 1.02 -1.26 -4.98 120.64 129.75 3hkj n GLU 77 Ca 0.06 -3.13 -0.48 0.00 -0.02 0.00 0.00 57.16 53.59 3hkj n GLU 77 Cb 0.48 -3.16 -0.03 0.00 -0.02 0.00 0.00 31.44 28.71 3hkj n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3hkj n ARG 77 N 5.49 0.88 -1.14 3.49 0.63 -1.26 -1.74 116.66 123.01 3hkj n ARG 77 Ca 0.46 0.31 -0.05 0.00 -0.92 0.00 0.00 57.85 57.65 3hkj n ARG 77 Cb 0.39 -1.66 -0.02 0.00 0.45 0.00 0.00 32.46 31.62 3hkj n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3hkj n ASN 78 N 1.74 -5.45 0.05 6.15 3.02 -1.26 -4.71 115.26 114.80 3hkj n ASN 78 Ca 0.14 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 3hkj n ASN 78 Cb 0.26 -3.37 0.00 0.00 -0.61 0.00 0.00 39.78 36.06 3hkj n ASN 78 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3hkj n ILE 79 N -2.24 0.78 -2.38 2.41 2.08 -0.71 -5.08 119.36 114.23 3hkj n ILE 79 Ca -0.05 0.26 -0.28 0.00 0.56 0.00 0.00 62.75 63.24 3hkj n ILE 79 Cb 0.47 -1.41 0.02 0.00 -0.75 0.00 0.00 39.64 37.96 3hkj n ILE 79 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 3hkj s GLU 80 N -2.00 3.24 -0.07 0.38 -1.05 -0.79 -4.79 118.70 113.62 3hkj s GLU 80 Ca 0.00 0.20 0.02 0.00 -0.15 0.00 0.00 54.97 55.05 3hkj s GLU 80 Cb 0.00 -2.27 0.01 0.00 -0.44 0.00 0.00 34.13 31.43 3hkj s GLU 80 CO 0.00 -0.52 -0.13 0.15 0.95 0.00 0.00 175.26 175.72 3hkj s LYS 81 N -4.95 1.76 -0.10 -4.83 3.01 0.25 -4.92 119.74 109.96 3hkj s LYS 81 Ca 0.52 -0.44 -0.05 0.00 -1.01 0.00 0.00 55.97 54.99 3hkj s LYS 81 Cb -0.11 -1.44 -0.04 0.00 -1.01 0.00 0.00 37.83 35.23 3hkj s LYS 81 CO 0.47 0.04 0.10 0.42 0.51 0.00 0.00 175.35 176.89 3hkj s ILE 82 N 0.64 5.16 0.02 2.17 1.09 -1.26 -0.48 121.20 128.54 3hkj s ILE 82 Ca -0.15 0.04 0.01 0.00 -1.10 0.00 0.00 60.65 59.45 3hkj s ILE 82 Cb -0.16 -3.25 -0.01 0.00 -1.06 0.00 0.00 42.46 37.98 3hkj s ILE 82 CO 0.04 0.59 -0.04 -0.44 -0.10 0.00 0.00 174.94 174.99 3hkj s SER 83 N -1.08 0.36 0.48 3.58 0.01 -0.33 -4.98 113.70 111.74 3hkj s SER 83 Ca 0.16 -0.36 -0.02 0.00 1.31 0.00 0.00 55.95 57.04 3hkj s SER 83 Cb -0.12 0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.15 3hkj s SER 83 CO 0.05 -0.17 0.73 -0.04 0.41 0.00 0.00 173.24 174.22 3hkj s MET 84 N -1.02 3.11 -0.17 12.44 -1.94 -1.26 -1.53 119.30 128.93 3hkj s MET 84 Ca -0.09 -0.29 -0.07 0.00 -1.71 0.00 0.00 55.69 53.53 3hkj s MET 84 Cb -0.07 -2.48 -0.04 0.00 2.01 0.00 0.00 34.83 34.25 3hkj s MET 84 CO -0.00 -0.34 0.07 -0.51 -0.01 0.00 0.00 175.02 174.23 3hkj s LEU 85 N -4.66 3.89 -0.13 -0.03 1.43 -1.26 -1.82 118.68 116.10 3hkj s LEU 85 Ca 0.49 0.14 -0.15 0.00 -1.03 0.00 0.00 54.13 53.59 3hkj s LEU 85 Cb -0.10 -1.97 -0.13 0.00 0.03 0.00 0.00 46.19 44.01 3hkj s LEU 85 CO 0.40 0.22 0.36 -0.08 0.23 0.00 0.00 176.35 177.48 3hkj h GLU 86 N 6.37 0.00 -2.96 1.70 4.57 -0.47 -3.44 114.58 120.34 3hkj h GLU 86 Ca -0.40 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 57.65 3hkj h GLU 86 Cb 1.17 0.00 -0.22 0.00 -0.16 0.00 0.00 28.75 29.54 3hkj h GLU 86 CO 0.68 0.51 -0.29 0.21 -1.18 0.00 0.00 179.01 178.94 3hkj s LYS 87 N -1.93 0.55 -0.15 1.92 2.47 -1.19 -4.96 119.74 116.45 3hkj s LYS 87 Ca -0.11 0.13 -0.05 0.00 -1.56 0.00 0.00 55.97 54.38 3hkj s LYS 87 Cb -0.01 0.25 -0.03 0.00 -1.46 0.00 0.00 37.83 36.58 3hkj s LYS 87 CO 0.36 -0.12 0.00 0.42 0.16 0.00 0.00 175.35 176.17 3hkj s ILE 88 N -0.61 4.28 -0.29 5.43 1.01 -1.26 -1.00 121.20 128.75 3hkj s ILE 88 Ca -0.07 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.37 3hkj s ILE 88 Cb -0.04 -2.88 0.09 0.00 0.01 0.00 0.00 42.46 39.64 3hkj s ILE 88 CO 0.02 0.51 0.03 -0.31 0.00 0.00 0.00 174.94 175.19 3hkj s TYR 89 N 0.11 2.66 0.04 3.97 1.51 0.73 -5.00 117.35 121.37 3hkj s TYR 89 Ca 0.02 -2.18 -0.17 0.00 -1.01 0.00 0.00 57.07 53.73 3hkj s TYR 89 Cb -0.13 -2.08 -0.06 0.00 -0.11 0.00 0.00 41.96 39.58 3hkj s TYR 89 CO 0.02 -0.87 0.49 0.42 -1.11 0.00 0.00 175.55 174.50 3hkj s ILE 90 N 1.29 4.88 0.07 2.71 1.01 -1.26 -0.87 121.20 129.03 3hkj s ILE 90 Ca 0.04 1.02 -0.34 0.00 0.00 0.00 0.00 60.65 61.37 3hkj s ILE 90 Cb -0.18 -3.80 -0.14 0.00 0.01 0.00 0.00 42.46 38.35 3hkj s ILE 90 CO -0.12 0.56 1.65 1.57 0.00 0.00 0.00 174.94 178.59 3hkj n HIS 91 N 1.74 2.22 -0.30 3.97 -0.00 -1.14 -4.86 115.22 116.85 3hkj n HIS 91 Ca -0.12 0.23 0.13 0.00 -0.00 0.00 0.00 57.72 57.96 3hkj n HIS 91 Cb 0.52 -2.56 0.30 0.00 -0.00 0.00 0.00 29.99 28.24 3hkj n HIS 91 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3hkj h PRO 92 N 6.77 0.23 -0.89 1.57 0.11 -1.94 -0.45 132.00 137.39 3hkj h PRO 92 Ca -0.46 -0.01 -0.34 0.00 0.11 0.00 0.00 66.00 65.30 3hkj h PRO 92 Cb 1.27 -0.05 -0.20 0.00 0.11 0.00 0.00 31.00 32.12 3hkj h PRO 92 CO 0.90 0.15 0.43 0.54 -0.21 0.00 0.00 178.00 179.81 3hkj n ARG 93 N -5.20 2.81 -1.71 1.05 1.74 -1.26 -4.95 116.66 109.14 3hkj n ARG 93 Ca 0.22 -2.76 -0.42 0.00 -0.77 0.00 0.00 57.85 54.12 3hkj n ARG 93 Cb 0.69 -2.10 -0.03 0.00 -1.02 0.00 0.00 32.46 29.99 3hkj n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3hkj s TYR 94 N -2.87 1.36 -0.93 -1.55 5.04 -0.18 -4.70 117.35 113.50 3hkj s TYR 94 Ca 0.51 -0.27 -0.13 0.00 -2.44 0.00 0.00 57.07 54.74 3hkj s TYR 94 Cb 0.42 -4.17 0.22 0.00 0.35 0.00 0.00 41.96 38.78 3hkj s TYR 94 CO 0.11 -5.19 0.93 1.21 -1.34 0.00 0.00 175.55 171.27 3hkj s ASN 95 N 4.71 6.92 0.11 4.32 3.84 -0.12 -4.81 114.94 129.92 3hkj s ASN 95 Ca 0.88 -2.89 0.25 0.00 0.21 0.00 0.00 52.86 51.31 3hkj s ASN 95 Cb -0.40 -2.24 0.54 0.00 -0.55 0.00 0.00 41.25 38.59 3hkj s ASN 95 CO 0.39 -0.55 1.48 -2.67 -2.79 0.00 0.00 177.10 172.96 3hkj n TRP 96 N 3.97 0.53 0.34 0.43 4.27 -1.26 0.19 117.44 125.91 3hkj n TRP 96 Ca 0.19 0.15 0.15 0.00 -3.89 0.00 0.00 57.50 54.10 3hkj n TRP 96 Cb 0.45 -0.66 0.58 0.00 -1.36 0.00 0.00 31.31 30.32 3hkj n TRP 96 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3hkj h ARG 97 N 0.00 0.00 0.00 -2.67 3.08 -1.99 -3.42 114.38 109.38 3hkj h ARG 97 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hkj h ARG 97 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3hkj h ARG 97 CO 0.00 0.00 0.00 -0.85 -1.07 0.00 0.00 179.97 178.05 3hkj n GLU 97 N -2.67 1.46 -0.19 0.04 -0.00 -1.25 -5.03 120.64 113.00 3hkj n GLU 97 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.18 3hkj n GLU 97 Cb 0.28 -0.13 0.00 0.00 -0.00 0.00 0.00 31.44 31.59 3hkj n GLU 97 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 3hkj n ASN 98 N -0.04 0.00 -3.36 -1.84 6.94 -1.23 -4.76 115.26 110.97 3hkj n ASN 98 Ca 0.00 -1.00 -0.24 0.00 -0.02 0.00 0.00 54.58 53.32 3hkj n ASN 98 Cb 0.00 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 37.44 3hkj n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3hkj n LEU 99 N 0.00 -2.30 -4.76 -4.53 4.77 0.13 -4.92 117.00 105.39 3hkj n LEU 99 Ca 0.00 -0.44 -0.39 0.00 -0.03 0.00 0.00 56.01 55.15 3hkj n LEU 99 Cb 0.50 -2.59 0.00 0.00 -2.33 0.00 0.00 43.42 39.00 3hkj n LEU 99 CO 0.00 0.28 0.95 -0.62 -1.33 0.00 0.00 177.39 176.67 3hkj s ASP 100 N -2.87 6.08 -1.35 -1.43 2.15 -1.08 -2.40 116.67 115.76 3hkj s ASP 100 Ca 0.43 2.63 -0.02 0.00 0.43 0.00 0.00 52.55 56.02 3hkj s ASP 100 Cb -0.21 -2.63 0.01 0.00 -0.30 0.00 0.00 42.92 39.79 3hkj s ASP 100 CO 0.53 -1.01 0.69 0.54 -0.17 0.00 0.00 175.17 175.76 3hkj n ARG 101 N -0.20 -4.73 -2.61 4.34 1.74 -1.26 -0.94 116.66 113.00 3hkj n ARG 101 Ca 0.06 0.58 -0.43 0.00 -0.77 0.00 0.00 57.85 57.29 3hkj n ARG 101 Cb 0.44 -5.12 -0.01 0.00 -1.02 0.00 0.00 32.46 26.76 3hkj n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hkj s ASP 102 N -4.24 6.77 0.04 0.55 2.15 -1.01 -4.41 116.67 116.52 3hkj s ASP 102 Ca 0.08 -2.24 -0.12 0.00 0.43 0.00 0.00 52.55 50.69 3hkj s ASP 102 Cb -0.04 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 40.03 3hkj s ASP 102 CO 0.83 -1.22 0.27 -0.51 -0.17 0.00 0.00 175.17 174.37 3hkj s ILE 103 N 4.17 0.09 -0.18 4.11 2.07 -1.26 -3.89 121.20 126.30 3hkj s ILE 103 Ca 0.51 -0.73 -0.26 0.00 -1.41 0.00 0.00 60.65 58.76 3hkj s ILE 103 Cb 0.02 -0.90 0.07 0.00 0.13 0.00 0.00 42.46 41.78 3hkj s ILE 103 CO 0.03 -0.40 0.67 0.00 -1.91 0.00 0.00 174.94 173.33 3hkj s ALA 104 N -2.44 -1.69 -0.02 1.50 0.00 -0.25 -2.88 121.76 115.97 3hkj s ALA 104 Ca -0.06 1.69 0.02 0.00 0.00 0.00 0.00 51.96 53.61 3hkj s ALA 104 Cb -0.01 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 3hkj s ALA 104 CO -0.03 -0.34 -0.04 -0.51 0.00 0.00 0.00 175.76 174.85 3hkj s LEU 105 N -0.19 3.34 -0.09 0.00 1.43 -0.05 -1.32 118.68 121.80 3hkj s LEU 105 Ca -0.04 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 3hkj s LEU 105 Cb -0.03 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.34 3hkj s LEU 105 CO 0.04 0.31 -0.07 -0.04 0.23 0.00 0.00 176.35 176.81 3hkj s MET 106 N -1.31 1.36 -0.07 1.70 -1.94 -0.06 -0.19 119.30 118.79 3hkj s MET 106 Ca 0.17 -0.23 -0.16 0.00 -1.71 0.00 0.00 55.69 53.75 3hkj s MET 106 Cb -0.11 -1.36 -0.05 0.00 2.01 0.00 0.00 34.83 35.32 3hkj s MET 106 CO 0.07 -0.17 0.43 0.21 -0.01 0.00 0.00 175.02 175.55 3hkj s LYS 107 N 1.36 4.16 0.45 2.03 2.20 -0.17 -1.01 119.74 128.76 3hkj s LYS 107 Ca -0.02 0.40 -0.12 0.00 -0.36 0.00 0.00 55.97 55.86 3hkj s LYS 107 Cb -0.14 -3.35 -0.07 0.00 -1.51 0.00 0.00 37.83 32.77 3hkj s LYS 107 CO -0.04 0.39 0.86 -0.51 -0.36 0.00 0.00 175.35 175.69 3hkj s LEU 108 N -0.11 3.73 0.06 5.43 1.43 0.65 0.18 118.68 130.05 3hkj s LEU 108 Ca 0.24 1.29 -0.27 0.00 -1.03 0.00 0.00 54.13 54.36 3hkj s LEU 108 Cb -0.16 -4.20 -0.17 0.00 0.03 0.00 0.00 46.19 41.69 3hkj s LEU 108 CO 0.11 -0.49 1.56 0.11 0.23 0.00 0.00 176.35 177.86 3hkj h LYS 109 N 1.05 -0.39 -4.99 1.70 1.79 -1.65 -3.39 116.57 110.67 3hkj h LYS 109 Ca -0.47 0.03 -0.40 0.00 -2.18 0.00 0.00 60.65 57.63 3hkj h LYS 109 Cb 1.19 0.09 -0.26 0.00 -1.58 0.00 0.00 32.23 31.67 3hkj h LYS 109 CO 0.63 -0.19 -0.78 0.15 -1.08 0.00 0.00 179.45 178.18 3hkj s LYS 110 N -5.67 0.81 0.57 3.15 1.02 -1.26 -4.96 119.74 113.39 3hkj s LYS 110 Ca -0.15 -0.58 -0.19 0.00 0.02 0.00 0.00 55.97 55.07 3hkj s LYS 110 Cb 0.04 -0.77 -0.07 0.00 -0.52 0.00 0.00 37.83 36.51 3hkj s LYS 110 CO 0.62 0.20 0.81 -2.30 -0.92 0.00 0.00 175.35 173.75 3hkj n PRO 111 N 2.23 0.80 -4.16 -1.68 -0.02 -1.26 -4.91 135.00 126.00 3hkj n PRO 111 Ca -0.17 0.31 -0.35 0.00 -2.02 0.00 0.00 63.50 61.27 3hkj n PRO 111 Cb 0.56 -1.98 -0.10 0.00 -0.02 0.00 0.00 33.50 31.96 3hkj n PRO 111 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hkj s VAL 112 N -1.56 4.54 0.11 -1.45 0.11 -0.18 -5.02 120.40 116.95 3hkj s VAL 112 Ca 0.72 -0.13 -0.31 0.00 -2.93 0.00 0.00 61.98 59.33 3hkj s VAL 112 Cb -0.44 -3.00 -0.07 0.00 -1.53 0.00 0.00 36.38 31.34 3hkj s VAL 112 CO 0.51 0.51 1.23 0.00 -3.33 0.00 0.00 175.10 174.02 3hkj s ALA 113 N 0.00 3.44 0.77 1.54 0.00 -1.26 -4.83 121.76 121.42 3hkj s ALA 113 Ca 0.04 0.93 -0.11 0.00 0.00 0.00 0.00 51.96 52.82 3hkj s ALA 113 Cb -0.12 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.60 3hkj s ALA 113 CO 0.01 -0.45 1.09 -0.06 0.00 0.00 0.00 175.76 176.36 3hkj s PHE 114 N 0.74 2.92 0.00 0.00 0.08 -1.26 -4.90 117.98 115.56 3hkj s PHE 114 Ca 0.58 1.18 0.00 0.00 0.12 0.00 0.00 56.93 58.81 3hkj s PHE 114 Cb -0.32 -3.08 0.00 0.00 -0.57 0.00 0.00 43.02 39.05 3hkj s PHE 114 CO 0.32 -1.64 0.00 -1.13 -0.10 0.00 0.00 175.22 172.67 3hkj n SER 115 N -3.35 0.00 0.29 1.36 3.41 -0.26 -4.91 113.62 110.16 3hkj n SER 115 Ca 0.07 -0.93 0.16 0.00 -0.26 0.00 0.00 58.87 57.92 3hkj n SER 115 Cb 0.56 0.00 0.89 0.00 -0.26 0.00 0.00 64.21 65.40 3hkj n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hkj h ASP 116 N 0.00 0.00 0.00 4.04 5.19 -1.98 -2.95 116.42 120.73 3hkj h ASP 116 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3hkj h ASP 116 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3hkj h ASP 116 CO 0.00 0.05 -0.73 -1.22 -3.12 0.00 0.00 179.24 174.22 3hkj n TYR 117 N -3.54 0.00 -3.95 4.55 4.01 -1.26 -4.69 117.16 112.28 3hkj n TYR 117 Ca -0.02 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.41 3hkj n TYR 117 Cb 0.16 -0.05 -0.15 0.00 -0.31 0.00 0.00 39.34 38.98 3hkj n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3hkj s ILE 118 N -2.20 1.66 -0.12 -0.72 1.01 -1.11 -4.22 121.20 115.50 3hkj s ILE 118 Ca 0.03 -1.47 -0.10 0.00 0.00 0.00 0.00 60.65 59.11 3hkj s ILE 118 Cb 0.08 -1.98 0.03 0.00 0.01 0.00 0.00 42.46 40.60 3hkj s ILE 118 CO 0.46 -0.23 0.32 -2.28 0.00 0.00 0.00 174.94 173.21 3hkj s HIS 119 N 1.30 -0.37 0.50 3.97 2.46 -0.77 -1.10 115.29 121.28 3hkj s HIS 119 Ca -0.02 0.88 -0.21 0.00 0.47 0.00 0.00 55.06 56.18 3hkj s HIS 119 Cb -0.19 0.12 -0.07 0.00 -0.13 0.00 0.00 32.58 32.31 3hkj s HIS 119 CO -0.08 -0.19 1.11 -1.25 -2.47 0.00 0.00 174.74 171.86 3hkj s PRO 120 N 0.40 3.63 0.23 2.88 0.04 -1.26 -2.18 135.00 138.75 3hkj s PRO 120 Ca -0.02 1.60 -0.01 0.00 0.04 0.00 0.00 61.00 62.60 3hkj s PRO 120 Cb -0.04 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 3hkj s PRO 120 CO -0.02 -0.62 0.44 0.54 0.04 0.00 0.00 177.00 177.39 3hkj s VAL 121 N -1.74 5.15 0.37 -0.36 0.11 -0.32 -4.92 120.40 118.70 3hkj s VAL 121 Ca 0.68 -0.29 -0.11 0.00 -2.93 0.00 0.00 61.98 59.33 3hkj s VAL 121 Cb -0.23 -3.75 -0.07 0.00 -1.53 0.00 0.00 36.38 30.80 3hkj s VAL 121 CO 0.28 -0.24 0.74 0.00 -3.33 0.00 0.00 175.10 172.54 3hkj s LEU 123 N -3.55 3.92 0.52 0.00 1.02 -1.26 -1.31 118.68 118.01 3hkj s LEU 123 Ca 0.51 0.28 -0.20 0.00 0.02 0.00 0.00 54.13 54.74 3hkj s LEU 123 Cb -0.10 -1.93 -0.07 0.00 0.02 0.00 0.00 46.19 44.11 3hkj s LEU 123 CO 0.27 0.38 1.11 -2.16 0.02 0.00 0.00 176.35 175.97 3hkj s PRO 124 N -0.90 3.53 0.61 1.29 0.04 -1.26 -4.96 135.00 133.35 3hkj s PRO 124 Ca 0.14 1.56 0.09 0.00 0.04 0.00 0.00 61.00 62.82 3hkj s PRO 124 Cb -0.12 -2.08 0.10 0.00 0.04 0.00 0.00 34.50 32.45 3hkj s PRO 124 CO 0.03 -0.70 0.84 -0.40 0.04 0.00 0.00 177.00 176.82 3hkj n ASP 125 N -1.11 2.06 -0.26 6.66 5.68 -1.26 -4.86 116.55 123.47 3hkj n ASP 125 Ca 0.10 -2.52 -0.04 0.00 -0.50 0.00 0.00 54.79 51.83 3hkj n ASP 125 Cb 0.51 -0.46 0.07 0.00 -1.14 0.00 0.00 41.12 40.10 3hkj n ASP 125 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3hkj h ARG 126 N 0.00 0.90 0.61 0.11 2.43 -1.97 -3.17 114.38 113.29 3hkj h ARG 126 Ca -0.28 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 58.80 3hkj h ARG 126 Cb 1.27 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 30.63 3hkj h ARG 126 CO 0.39 0.60 -0.30 1.05 -1.51 0.00 0.00 179.97 180.20 3hkj h GLU 127 N 0.93 -0.80 -1.51 0.20 9.09 -2.04 -1.58 114.58 118.87 3hkj h GLU 127 Ca 0.28 0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.75 3hkj h GLU 127 Cb -0.04 0.18 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 3hkj h GLU 127 CO -0.09 -0.52 0.00 2.41 0.05 0.00 0.00 179.01 180.86 3hkj n THR 128 N -5.44 0.00 0.00 -1.06 -1.04 -1.20 -1.15 114.28 104.39 3hkj n THR 128 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 3hkj n THR 128 Cb 0.34 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3hkj n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hkj n ALA 129 N 0.83 0.00 -0.02 2.41 0.00 -0.60 -1.59 120.51 121.54 3hkj n ALA 129 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 3hkj n ALA 129 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3hkj n ALA 129 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3hkj h SER 129 N 0.00 0.77 0.31 0.00 0.02 -1.40 -3.39 113.55 109.86 3hkj h SER 129 Ca 0.00 -0.65 -0.32 0.00 -0.84 0.00 0.00 61.79 59.98 3hkj h SER 129 Cb 0.00 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.25 3hkj h SER 129 CO 0.00 1.30 -1.96 0.18 -1.14 0.00 0.00 176.83 175.21 3hkj n LEU 129 N -4.09 0.62 -3.89 5.07 4.77 -0.62 -4.68 117.00 114.18 3hkj n LEU 129 Ca -0.08 0.26 -0.42 0.00 -0.03 0.00 0.00 56.01 55.74 3hkj n LEU 129 Cb 0.68 0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 42.01 3hkj n LEU 129 CO 0.50 0.44 2.36 0.18 -1.33 0.00 0.00 177.39 179.54 3hkj n LEU 130 N -2.95 5.63 -4.18 2.23 4.77 -1.26 -4.81 117.00 116.43 3hkj n LEU 130 Ca -0.23 -3.73 -0.21 0.00 -0.03 0.00 0.00 56.01 51.81 3hkj n LEU 130 Cb 1.09 -1.54 -0.13 0.00 -2.33 0.00 0.00 43.42 40.51 3hkj n LEU 130 CO 0.44 0.40 -0.48 -1.10 -1.33 0.00 0.00 177.39 175.33 3hkj s GLN 131 N 4.02 0.99 0.35 3.23 -0.21 -1.26 -4.95 119.66 121.83 3hkj s GLN 131 Ca 0.52 -0.87 -0.28 0.00 0.02 0.00 0.00 55.36 54.75 3hkj s GLN 131 Cb 0.12 -1.04 -0.12 0.00 1.00 0.00 0.00 33.01 32.97 3hkj s GLN 131 CO 0.00 0.25 1.45 0.00 -2.12 0.00 0.00 175.29 174.87 3hkj n ALA 132 N 1.68 2.06 0.00 6.09 0.00 -1.26 -1.78 120.51 127.30 3hkj n ALA 132 Ca -0.19 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3hkj n ALA 132 Cb 0.54 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3hkj n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hkj n GLY 133 N 0.82 2.76 3.73 0.00 0.00 -0.27 -4.95 105.19 107.29 3hkj n GLY 133 Ca 0.03 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 3hkj n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hkj s TYR 134 N -1.77 3.30 0.19 1.61 1.51 -0.73 -4.59 117.35 116.87 3hkj s TYR 134 Ca 0.00 1.25 -0.04 0.00 -1.01 0.00 0.00 57.07 57.27 3hkj s TYR 134 Cb 0.00 -3.56 -0.05 0.00 -0.11 0.00 0.00 41.96 38.24 3hkj s TYR 134 CO 0.00 -1.75 0.42 0.15 -1.11 0.00 0.00 175.55 173.26 3hkj s LYS 135 N 0.02 3.60 0.36 -0.62 1.02 -1.26 -0.96 119.74 121.89 3hkj s LYS 135 Ca 0.57 -0.14 0.03 0.00 0.02 0.00 0.00 55.97 56.45 3hkj s LYS 135 Cb -0.35 -2.80 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 3hkj s LYS 135 CO 0.37 0.40 0.10 0.20 -0.92 0.00 0.00 175.35 175.50 3hkj s GLY 136 N -2.78 2.31 0.02 -3.33 0.00 0.29 -4.90 107.32 98.92 3hkj s GLY 136 Ca 0.41 -1.61 0.07 0.00 0.00 0.00 0.00 44.72 43.60 3hkj s GLY 136 CO 0.27 -1.79 -0.22 -1.60 0.00 0.00 0.00 173.10 169.76 3hkj s ARG 137 N -3.81 2.06 -0.02 2.90 3.52 0.65 -1.01 118.95 123.23 3hkj s ARG 137 Ca 0.30 -0.97 0.04 0.00 -0.13 0.00 0.00 55.73 54.98 3hkj s ARG 137 Cb 0.05 -2.12 -0.01 0.00 -1.56 0.00 0.00 34.95 31.31 3hkj s ARG 137 CO 0.15 0.55 -0.15 0.08 -0.81 0.00 0.00 175.30 175.12 3hkj s VAL 138 N -0.80 1.21 0.08 7.11 1.01 -0.33 -0.73 120.40 127.95 3hkj s VAL 138 Ca 0.12 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.49 3hkj s VAL 138 Cb -0.10 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 3hkj s VAL 138 CO 0.02 0.35 -0.07 0.42 0.00 0.00 0.00 175.10 175.82 3hkj s THR 139 N -0.17 0.64 0.00 3.92 -4.23 -1.25 -1.96 115.64 112.59 3hkj s THR 139 Ca 0.02 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 3hkj s THR 139 Cb -0.08 -1.33 0.00 0.00 1.34 0.00 0.00 72.50 72.43 3hkj s THR 139 CO 0.00 -0.71 0.00 0.61 -0.54 0.00 0.00 174.62 173.98 3hkj n GLY 140 N 0.45 0.45 1.33 3.99 0.00 -0.65 -4.58 105.19 106.18 3hkj n GLY 140 Ca -0.16 -1.06 0.08 0.00 0.00 0.00 0.00 46.02 44.89 3hkj n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hkj n TRP 141 N -0.56 1.41 -0.89 1.61 8.01 -1.26 -1.46 117.44 124.29 3hkj n TRP 141 Ca 0.00 -0.78 -0.28 0.00 -1.31 0.00 0.00 57.50 55.12 3hkj n TRP 141 Cb 0.00 -0.37 0.22 0.00 -2.01 0.00 0.00 31.31 29.14 3hkj n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3hkj s GLY 142 N -1.37 1.55 0.84 6.99 0.00 -1.26 -4.53 107.32 109.55 3hkj s GLY 142 Ca 0.47 -0.35 -0.12 0.00 0.00 0.00 0.00 44.72 44.73 3hkj s GLY 142 CO 0.13 0.35 1.16 -1.31 0.00 0.00 0.00 173.10 173.43 3hkj s ASN 143 N -3.10 3.46 0.02 1.64 0.01 -1.26 -2.43 114.94 113.28 3hkj s ASN 143 Ca 0.67 2.22 0.23 0.00 -0.71 0.00 0.00 52.86 55.26 3hkj s ASN 143 Cb -0.21 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 38.87 3hkj s ASN 143 CO 0.60 -2.75 0.99 0.18 -1.51 0.00 0.00 177.10 174.62 3hkj n LEU 144 N -3.69 0.66 -3.79 0.60 4.77 0.37 -1.94 117.00 113.98 3hkj n LEU 144 Ca 0.12 -0.16 -0.07 0.00 -0.03 0.00 0.00 56.01 55.87 3hkj n LEU 144 Cb 0.51 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 3hkj n LEU 144 CO 0.49 0.11 0.51 -1.59 -1.33 0.00 0.00 177.39 175.59 3hkj s LYS 145 N -3.14 1.62 0.85 3.23 -2.85 -1.26 -4.49 119.74 113.70 3hkj s LYS 145 Ca 0.05 -0.87 -0.12 0.00 -1.00 0.00 0.00 55.97 54.03 3hkj s LYS 145 Cb 0.15 0.57 0.10 0.00 -2.06 0.00 0.00 37.83 36.59 3hkj s LYS 145 CO 0.82 -0.74 1.11 -2.00 0.10 0.00 0.00 175.35 174.64 3hkj s GLU 146 N -3.78 1.68 -1.22 1.78 2.12 -1.26 -4.74 118.70 113.27 3hkj s GLU 146 Ca 0.10 0.49 -0.14 0.00 0.36 0.00 0.00 54.97 55.78 3hkj s GLU 146 Cb -0.05 -1.88 0.16 0.00 0.26 0.00 0.00 34.13 32.62 3hkj s GLU 146 CO 0.04 -1.87 1.46 2.41 -0.54 0.00 0.00 175.26 176.76 3hkj n THR 147 N -3.58 4.23 -0.17 -1.70 -1.04 -1.26 -5.04 114.28 105.73 3hkj n THR 147 Ca 0.07 -4.69 -0.04 0.00 -2.04 0.00 0.00 64.05 57.35 3hkj n THR 147 Cb 0.58 -2.46 0.06 0.00 -1.82 0.00 0.00 70.33 66.68 3hkj n THR 147 CO 0.00 0.00 0.00 4.11 -0.64 0.00 0.00 175.07 178.54 3hkj h TRP 148 N 7.14 0.47 0.00 -1.42 5.08 -2.00 -3.55 115.95 121.67 3hkj h TRP 148 Ca 0.33 0.02 0.00 0.00 1.08 0.00 0.00 58.89 60.32 3hkj h TRP 148 Cb 0.87 -0.13 0.00 0.00 -3.00 0.00 0.00 29.16 26.89 3hkj h TRP 148 CO 1.12 0.22 0.00 0.41 -1.28 0.00 0.00 178.44 178.92 3hkj n GLY 150 N -1.25 0.32 3.50 11.11 0.00 -1.26 -5.30 105.19 112.30 3hkj n GLY 150 Ca 0.05 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3hkj n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hkj s GLN 151 N 0.00 3.69 0.68 1.61 -0.21 -1.26 0.14 119.66 124.30 3hkj s GLN 151 Ca 0.00 -0.50 -0.16 0.00 0.02 0.00 0.00 55.36 54.72 3hkj s GLN 151 Cb 0.00 -3.00 0.01 0.00 1.00 0.00 0.00 33.01 31.02 3hkj s GLN 151 CO 0.00 0.17 1.17 -1.25 -2.12 0.00 0.00 175.29 173.26 3hkj s PRO 152 N 0.57 2.54 0.00 2.91 0.04 -1.26 -4.94 135.00 134.85 3hkj s PRO 152 Ca -0.02 1.64 -0.14 0.00 0.04 0.00 0.00 61.00 62.53 3hkj s PRO 152 Cb -0.14 -1.89 -0.34 0.00 0.04 0.00 0.00 34.50 32.17 3hkj s PRO 152 CO 0.02 -1.51 0.87 1.03 0.04 0.00 0.00 177.00 177.46 3hkj h SER 153 N 0.06 0.77 -4.79 6.66 0.87 -1.96 -3.44 113.55 111.72 3hkj h SER 153 Ca -0.48 -0.93 -0.30 0.00 -1.23 0.00 0.00 61.79 58.86 3hkj h SER 153 Cb 1.28 -0.25 -0.15 0.00 -0.44 0.00 0.00 62.40 62.84 3hkj h SER 153 CO 0.52 1.75 -0.63 0.68 -0.53 0.00 0.00 176.83 178.62 3hkj s VAL 154 N -2.59 0.44 0.09 2.23 -7.23 -1.26 -1.22 120.40 110.85 3hkj s VAL 154 Ca -0.12 -1.99 -0.37 0.00 -1.81 0.00 0.00 61.98 57.70 3hkj s VAL 154 Cb 0.04 -2.42 -0.17 0.00 0.56 0.00 0.00 36.38 34.40 3hkj s VAL 154 CO 0.91 -0.17 1.34 -0.11 -0.31 0.00 0.00 175.10 176.76 3hkj n LEU 155 N -0.33 1.63 -4.85 1.32 7.94 -0.05 -4.83 117.00 117.83 3hkj n LEU 155 Ca -0.02 1.12 -0.31 0.00 -1.11 0.00 0.00 56.01 55.69 3hkj n LEU 155 Cb 0.65 -1.19 -0.05 0.00 0.53 0.00 0.00 43.42 43.36 3hkj n LEU 155 CO 0.35 -1.05 -0.20 -1.10 -1.11 0.00 0.00 177.39 174.27 3hkj s GLN 156 N 0.48 3.19 0.05 1.96 -1.52 -0.54 -0.67 119.66 122.61 3hkj s GLN 156 Ca 0.84 -0.53 0.03 0.00 -1.95 0.00 0.00 55.36 53.75 3hkj s GLN 156 Cb -0.96 -2.91 -0.03 0.00 -0.22 0.00 0.00 33.01 28.90 3hkj s GLN 156 CO 0.47 0.60 -0.09 0.54 -0.25 0.00 0.00 175.29 176.56 3hkj s VAL 157 N -1.42 0.64 -0.19 1.09 0.11 0.46 -1.64 120.40 119.43 3hkj s VAL 157 Ca 0.31 -1.12 -0.27 0.00 -2.93 0.00 0.00 61.98 57.96 3hkj s VAL 157 Cb -0.13 -0.69 0.08 0.00 -1.53 0.00 0.00 36.38 34.11 3hkj s VAL 157 CO 0.24 -0.36 0.78 0.54 -3.33 0.00 0.00 175.10 172.97 3hkj s VAL 158 N -1.38 0.00 -0.12 2.04 0.11 -0.83 -0.85 120.40 119.37 3hkj s VAL 158 Ca -0.08 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 58.93 3hkj s VAL 158 Cb -0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 3hkj s VAL 158 CO 0.01 0.00 0.03 0.20 -3.33 0.00 0.00 175.10 172.01 3hkj s ASN 159 N -0.28 5.45 0.02 3.54 0.01 -1.26 -1.19 114.94 121.23 3hkj s ASN 159 Ca -0.03 0.16 0.04 0.00 -0.71 0.00 0.00 52.86 52.31 3hkj s ASN 159 Cb -0.03 -1.69 -0.02 0.00 0.41 0.00 0.00 41.25 39.92 3hkj s ASN 159 CO 0.03 0.32 -0.12 -0.76 -1.51 0.00 0.00 177.10 175.07 3hkj s LEU 160 N -0.55 2.13 0.05 0.60 1.43 -0.18 -4.94 118.68 117.22 3hkj s LEU 160 Ca 0.10 -0.38 -0.24 0.00 -1.03 0.00 0.00 54.13 52.58 3hkj s LEU 160 Cb -0.12 -0.50 -0.06 0.00 0.03 0.00 0.00 46.19 45.55 3hkj s LEU 160 CO 0.02 0.02 0.74 -2.16 0.23 0.00 0.00 176.35 175.21 3hkj s PRO 161 N -0.91 4.47 0.26 1.29 0.04 -1.26 -0.55 135.00 138.34 3hkj s PRO 161 Ca 0.01 1.03 -0.30 0.00 0.04 0.00 0.00 61.00 61.77 3hkj s PRO 161 Cb -0.07 -3.35 -0.10 0.00 0.04 0.00 0.00 34.50 31.02 3hkj s PRO 161 CO 0.01 0.32 1.44 0.42 0.04 0.00 0.00 177.00 179.22 3hkj s ILE 162 N -0.16 2.63 0.06 0.56 1.01 -0.14 -1.15 121.20 124.01 3hkj s ILE 162 Ca 0.37 0.54 -0.06 0.00 0.00 0.00 0.00 60.65 61.50 3hkj s ILE 162 Cb -0.20 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 3hkj s ILE 162 CO 0.22 0.09 0.32 -0.69 0.00 0.00 0.00 174.94 174.89 3hkj s VAL 163 N -0.12 5.22 0.21 2.92 1.01 -0.02 -1.11 120.40 128.50 3hkj s VAL 163 Ca 0.58 0.16 -0.32 0.00 0.00 0.00 0.00 61.98 62.41 3hkj s VAL 163 Cb -0.42 -3.60 -0.12 0.00 0.00 0.00 0.00 36.38 32.24 3hkj s VAL 163 CO 0.45 0.25 1.71 -1.61 0.00 0.00 0.00 175.10 175.89 3hkj s GLU 164 N -2.07 4.13 0.31 2.72 8.01 -1.26 -4.60 118.70 125.94 3hkj s GLU 164 Ca 0.33 2.59 0.06 0.00 0.01 0.00 0.00 54.97 57.96 3hkj s GLU 164 Cb -0.13 -3.08 0.85 0.00 -4.31 0.00 0.00 34.13 27.45 3hkj s GLU 164 CO 0.20 -0.74 1.64 -0.09 0.01 0.00 0.00 175.26 176.27 3hkj h ARG 165 N 6.78 0.20 -0.50 1.61 2.43 -1.96 -0.80 114.38 122.14 3hkj h ARG 165 Ca -0.43 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 58.65 3hkj h ARG 165 Cb 1.20 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 3hkj h ARG 165 CO 0.95 0.13 0.01 -1.35 -1.51 0.00 0.00 179.97 178.20 3hkj h PRO 166 N 0.20 0.89 -0.96 0.20 0.11 -2.00 -2.61 132.00 127.83 3hkj h PRO 166 Ca 0.62 -0.28 0.11 0.00 0.11 0.00 0.00 66.00 66.56 3hkj h PRO 166 Cb 1.33 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 32.28 3hkj h PRO 166 CO -0.68 0.91 0.61 0.28 -0.21 0.00 0.00 178.00 178.92 3hkj h VAL 167 N 0.75 0.93 0.00 3.15 2.07 -1.51 -2.26 116.25 119.38 3hkj h VAL 167 Ca 0.14 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3hkj h VAL 167 Cb 0.51 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 3hkj h VAL 167 CO 0.02 0.17 -1.06 0.00 0.02 0.00 0.00 177.57 176.72 3hkj h LYS 169 N 0.00 0.61 -0.07 0.00 3.64 -1.08 -2.12 116.57 117.55 3hkj h LYS 169 Ca 0.00 -0.16 -0.09 0.00 -1.27 0.00 0.00 60.65 59.13 3hkj h LYS 169 Cb 0.73 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 3hkj h LYS 169 CO 0.00 0.67 -0.37 -0.44 -2.27 0.00 0.00 179.45 177.04 3hkj h ASP 170 N 0.46 0.15 0.18 4.20 5.19 -1.50 -2.97 116.42 122.12 3hkj h ASP 170 Ca 0.11 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 3hkj h ASP 170 Cb 0.36 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.83 3hkj h ASP 170 CO 0.01 0.51 0.00 -1.54 -3.12 0.00 0.00 179.24 175.10 3hkj n SER 171 N -4.07 0.00 -3.86 6.45 3.41 -0.81 -4.81 113.62 109.93 3hkj n SER 171 Ca -0.01 -0.04 -0.10 0.00 -0.26 0.00 0.00 58.87 58.46 3hkj n SER 171 Cb 0.43 -0.21 -0.06 0.00 -0.26 0.00 0.00 64.21 64.12 3hkj n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hkj s THR 172 N -2.42 0.05 -0.73 6.66 -1.32 -1.12 -4.80 115.64 111.97 3hkj s THR 172 Ca 0.15 -1.11 0.23 0.00 -1.21 0.00 0.00 61.69 59.75 3hkj s THR 172 Cb 0.09 -1.70 -0.10 0.00 -1.51 0.00 0.00 72.50 69.28 3hkj s THR 172 CO 0.19 -0.24 1.09 0.54 -2.21 0.00 0.00 174.62 174.00 3hkj n ARG 173 N -0.26 0.20 -2.51 7.08 1.74 -1.26 -4.90 116.66 116.75 3hkj n ARG 173 Ca -0.09 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.58 3hkj n ARG 173 Cb 0.63 -1.57 -0.04 0.00 -1.02 0.00 0.00 32.46 30.46 3hkj n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3hkj s ILE 174 N -3.14 3.84 -0.44 0.55 1.01 -1.26 -4.97 121.20 116.80 3hkj s ILE 174 Ca 0.06 1.61 -0.28 0.00 0.00 0.00 0.00 60.65 62.04 3hkj s ILE 174 Cb 0.15 -4.03 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 3hkj s ILE 174 CO 0.79 0.29 1.68 -0.60 0.00 0.00 0.00 174.94 177.09 3hkj s ARG 175 N -0.46 3.22 -0.15 2.79 3.52 -1.26 -4.98 118.95 121.63 3hkj s ARG 175 Ca 0.49 1.02 -0.20 0.00 -0.13 0.00 0.00 55.73 56.90 3hkj s ARG 175 Cb -0.30 -4.19 -0.03 0.00 -1.56 0.00 0.00 34.95 28.87 3hkj s ARG 175 CO 0.35 -2.00 0.59 0.96 -0.81 0.00 0.00 175.30 174.39 3hkj s ILE 176 N 6.96 5.08 0.64 4.11 -4.36 -1.26 -4.88 121.20 127.50 3hkj s ILE 176 Ca 0.69 1.15 -0.03 0.00 -0.26 0.00 0.00 60.65 62.20 3hkj s ILE 176 Cb -0.17 -3.92 0.06 0.00 1.25 0.00 0.00 42.46 39.68 3hkj s ILE 176 CO 0.29 0.20 0.91 -0.89 0.24 0.00 0.00 174.94 175.70 3hkj s THR 177 N 1.32 2.43 -1.48 8.37 2.01 -1.26 -4.97 115.64 122.05 3hkj s THR 177 Ca 0.29 -0.47 0.28 0.00 0.31 0.00 0.00 61.69 62.09 3hkj s THR 177 Cb -0.16 -2.95 0.51 0.00 0.01 0.00 0.00 72.50 69.91 3hkj s THR 177 CO 0.12 0.00 1.96 0.47 -0.69 0.00 0.00 174.62 176.48 3hkj n ASP 178 N -2.67 0.00 -0.97 3.53 8.00 -1.26 -2.61 116.55 120.57 3hkj n ASP 178 Ca 0.09 -0.18 0.06 0.00 0.71 0.00 0.00 54.79 55.47 3hkj n ASP 178 Cb 0.60 -0.26 0.21 0.00 -0.02 0.00 0.00 41.12 41.65 3hkj n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3hkj n ASN 179 N -1.26 2.80 -3.90 -2.24 3.02 -1.26 -4.86 115.26 107.56 3hkj n ASN 179 Ca 0.14 -2.16 -0.08 0.00 -0.03 0.00 0.00 54.58 52.44 3hkj n ASN 179 Cb 0.21 -0.39 -0.08 0.00 -0.61 0.00 0.00 39.78 38.91 3hkj n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hkj s MET 180 N -1.60 0.80 0.08 3.52 0.23 -1.07 -0.07 119.30 121.19 3hkj s MET 180 Ca 0.30 -0.99 -0.10 0.00 -1.03 0.00 0.00 55.69 53.87 3hkj s MET 180 Cb 0.18 0.32 0.00 0.00 -1.53 0.00 0.00 34.83 33.80 3hkj s MET 180 CO 0.17 -0.24 0.22 -0.59 -2.03 0.00 0.00 175.02 172.56 3hkj s PHE 181 N -3.83 0.08 0.22 3.16 -0.12 -0.40 -4.79 117.98 112.30 3hkj s PHE 181 Ca 0.05 -0.45 0.07 0.00 -0.05 0.00 0.00 56.93 56.55 3hkj s PHE 181 Cb 0.05 -0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.40 3hkj s PHE 181 CO -0.11 -0.55 0.10 0.00 -0.05 0.00 0.00 175.22 174.61 3hkj s ALA 183 N -2.02 -1.22 0.00 0.00 0.00 -0.85 -0.84 121.76 116.83 3hkj s ALA 183 Ca 0.31 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.46 3hkj s ALA 183 Cb -0.08 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.50 3hkj s ALA 183 CO 0.22 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.13 3hkj n GLY 184 N 2.25 3.97 3.88 0.00 0.00 -0.30 -1.58 105.19 113.42 3hkj n GLY 184 Ca -0.16 -1.27 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 3hkj n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hkj s TYR 184 N -2.00 3.57 0.51 1.61 2.02 -1.26 -4.56 117.35 117.23 3hkj s TYR 184 Ca 0.00 1.17 -0.06 0.00 -0.37 0.00 0.00 57.07 57.81 3hkj s TYR 184 Cb 0.00 -2.59 -0.04 0.00 -0.40 0.00 0.00 41.96 38.93 3hkj s TYR 184 CO 0.00 -0.47 0.83 0.15 -1.57 0.00 0.00 175.55 174.49 3hkj s LYS 185 N -4.74 3.53 -1.31 -0.62 3.01 -1.26 -4.75 119.74 113.60 3hkj s LYS 185 Ca 0.53 0.29 -0.15 0.00 -1.01 0.00 0.00 55.97 55.63 3hkj s LYS 185 Cb -0.11 -2.32 0.10 0.00 -1.01 0.00 0.00 37.83 34.49 3hkj s LYS 185 CO 0.45 -0.28 1.79 -0.35 0.51 0.00 0.00 175.35 177.47 3hkj n PRO 186 N -2.36 3.22 0.00 -1.68 -0.04 -1.26 -3.15 135.00 129.73 3hkj n PRO 186 Ca 0.02 -3.31 0.00 0.00 -0.04 0.00 0.00 63.50 60.17 3hkj n PRO 186 Cb 0.55 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 3hkj n PRO 186 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3hkj n ASP 186 N 6.66 0.41 0.00 3.54 9.92 -1.26 -4.81 116.55 131.01 3hkj n ASP 186 Ca 0.45 -0.89 0.00 0.00 -0.53 0.00 0.00 54.79 53.83 3hkj n ASP 186 Cb 0.42 0.07 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 3hkj n ASP 186 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 3hkj n LYS 186 N -0.07 0.00 0.00 -1.24 4.81 -1.19 -5.23 118.16 115.24 3hkj n LYS 186 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3hkj n LYS 186 Cb 0.11 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.16 3hkj n LYS 186 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 3hkj n ARG 187 N 0.00 0.00 -1.44 1.64 1.85 -1.26 -5.13 116.66 112.33 3hkj n ARG 187 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3hkj n ARG 187 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3hkj n ARG 187 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3hkj n GLY 188 N 0.00 -2.89 0.00 2.89 0.00 -1.26 -4.72 105.19 99.21 3hkj n GLY 188 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3hkj n GLY 188 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hkj n ASP 189 N -2.31 0.00 -4.70 1.61 2.03 -0.82 -4.58 116.55 107.78 3hkj n ASP 189 Ca 0.00 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.04 3hkj n ASP 189 Cb 0.31 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.64 3hkj n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hkj s ALA 190 N -1.00 3.32 0.53 -1.67 0.00 -1.21 -0.18 121.76 121.55 3hkj s ALA 190 Ca 0.00 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 50.72 3hkj s ALA 190 Cb 0.00 -1.13 0.04 0.00 0.00 0.00 0.00 23.12 22.03 3hkj s ALA 190 CO 0.00 0.53 0.31 0.00 0.00 0.00 0.00 175.76 176.60 3hkj h GLU 192 N 0.00 1.03 0.00 0.00 4.57 -1.84 -1.55 114.58 116.79 3hkj h GLU 192 Ca -0.36 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 3hkj h GLU 192 Cb 1.26 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 3hkj h GLU 192 CO 0.57 0.77 0.00 0.41 -1.18 0.00 0.00 179.01 179.58 3hkj n GLY 193 N -1.17 -0.71 0.02 1.92 0.00 -1.26 -1.17 105.19 102.81 3hkj n GLY 193 Ca 0.07 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.16 3hkj n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hkj n ASP 194 N -1.36 0.64 -4.51 1.61 8.00 -0.59 -3.94 116.55 116.40 3hkj n ASP 194 Ca 0.04 -0.43 -0.45 0.00 0.71 0.00 0.00 54.79 54.66 3hkj n ASP 194 Cb 0.10 0.98 -0.02 0.00 -0.02 0.00 0.00 41.12 42.16 3hkj n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3hkj n SER 195 N -1.82 0.15 0.00 -2.24 7.64 -0.32 -0.77 113.62 116.26 3hkj n SER 195 Ca 0.02 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.03 3hkj n SER 195 Cb 0.41 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 3hkj n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hkj n GLY 196 N 1.55 2.08 3.84 0.23 0.00 0.73 -0.90 105.19 112.72 3hkj n GLY 196 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3hkj n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hkj s GLY 197 N -1.97 1.62 0.45 -0.02 0.00 0.05 -2.81 107.32 104.65 3hkj s GLY 197 Ca 0.00 -0.27 -0.18 0.00 0.00 0.00 0.00 44.72 44.28 3hkj s GLY 197 CO 0.00 0.14 0.93 -4.14 0.00 0.00 0.00 173.10 170.04 3hkj s PRO 198 N -5.24 4.06 -0.35 2.90 0.02 -1.26 -1.24 135.00 133.89 3hkj s PRO 198 Ca 0.60 0.96 0.02 0.00 0.02 0.00 0.00 61.00 62.61 3hkj s PRO 198 Cb -0.13 -2.20 0.10 0.00 0.02 0.00 0.00 34.50 32.30 3hkj s PRO 198 CO 0.53 -0.12 0.10 0.12 -0.33 0.00 0.00 177.00 177.30 3hkj s PHE 199 N -2.37 2.87 0.37 6.54 2.19 -0.59 -3.78 117.98 123.22 3hkj s PHE 199 Ca 0.59 -2.53 0.07 0.00 0.33 0.00 0.00 56.93 55.39 3hkj s PHE 199 Cb -0.10 -2.42 -0.01 0.00 -1.31 0.00 0.00 43.02 39.18 3hkj s PHE 199 CO 0.22 -0.90 0.44 0.14 1.83 0.00 0.00 175.22 176.95 3hkj s VAL 200 N 1.02 3.44 -0.11 3.12 -7.23 0.09 -0.75 120.40 119.98 3hkj s VAL 200 Ca 0.12 -1.15 -0.07 0.00 -1.81 0.00 0.00 61.98 59.07 3hkj s VAL 200 Cb -0.19 -3.19 0.04 0.00 0.56 0.00 0.00 36.38 33.61 3hkj s VAL 200 CO -0.13 -0.10 0.28 -0.04 -0.31 0.00 0.00 175.10 174.80 3hkj s MET 201 N -4.17 0.25 -0.14 4.82 -1.94 0.59 -0.25 119.30 118.46 3hkj s MET 201 Ca 0.47 0.54 -0.25 0.00 -1.71 0.00 0.00 55.69 54.74 3hkj s MET 201 Cb -0.08 -0.06 -0.02 0.00 2.01 0.00 0.00 34.83 36.68 3hkj s MET 201 CO 0.30 -0.14 0.81 0.21 -0.01 0.00 0.00 175.02 176.19 3hkj s LYS 202 N 1.09 4.33 -0.16 2.03 2.20 -1.26 -0.72 119.74 127.25 3hkj s LYS 202 Ca -0.08 1.00 -0.29 0.00 -0.36 0.00 0.00 55.97 56.24 3hkj s LYS 202 Cb -0.09 -3.55 -0.00 0.00 -1.51 0.00 0.00 37.83 32.69 3hkj s LYS 202 CO -0.08 -0.24 1.02 0.45 -0.36 0.00 0.00 175.35 176.14 3hkj s SER 203 N 1.09 7.17 0.30 1.43 0.15 0.42 -4.90 113.70 119.37 3hkj s SER 203 Ca 0.38 1.45 0.25 0.00 0.70 0.00 0.00 55.95 58.74 3hkj s SER 203 Cb -0.17 -2.55 1.03 0.00 -1.71 0.00 0.00 66.02 62.63 3hkj s SER 203 CO 0.14 -0.54 1.76 -0.65 1.20 0.00 0.00 173.24 175.15 3hkj h PRO 204 N 7.26 0.00 0.00 5.44 0.11 -1.95 0.53 132.00 143.39 3hkj h PRO 204 Ca -0.26 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.76 3hkj h PRO 204 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3hkj h PRO 204 CO 0.91 0.00 -0.45 0.74 -0.21 0.00 0.00 178.00 178.99 3hkj h PHE 204 N 0.00 0.00 0.00 0.65 0.04 -1.96 -3.40 116.94 112.27 3hkj h PHE 204 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3hkj h PHE 204 Cb 0.41 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.56 3hkj h PHE 204 CO 0.00 0.45 -0.01 0.27 -0.60 0.00 0.00 178.31 178.42 3hkj n ASN 204 N -3.32 0.00 -0.90 2.17 2.04 -1.07 -5.02 115.26 109.16 3hkj n ASN 204 Ca 0.01 -1.02 -0.12 0.00 -0.44 0.00 0.00 54.58 53.01 3hkj n ASN 204 Cb 0.65 -0.00 -0.05 0.00 -2.53 0.00 0.00 39.78 37.84 3hkj n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3hkj n ASN 205 N 0.00 -5.37 -4.89 0.53 4.13 0.18 -4.97 115.26 104.86 3hkj n ASN 205 Ca 0.00 0.29 -0.35 0.00 1.68 0.00 0.00 54.58 56.20 3hkj n ASN 205 Cb 0.50 -3.90 -0.05 0.00 -1.54 0.00 0.00 39.78 34.79 3hkj n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3hkj s ARG 206 N -2.90 3.50 0.06 3.52 0.52 -1.24 -4.79 118.95 117.62 3hkj s ARG 206 Ca 0.00 -0.18 -0.24 0.00 -0.52 0.00 0.00 55.73 54.79 3hkj s ARG 206 Cb 0.00 -3.11 -0.06 0.00 0.52 0.00 0.00 34.95 32.30 3hkj s ARG 206 CO 0.00 0.68 0.73 -1.58 0.02 0.00 0.00 175.30 175.15 3hkj s TRP 207 N -1.26 3.77 -0.06 -0.53 0.52 -1.26 -0.44 118.94 119.69 3hkj s TRP 207 Ca 0.25 1.45 0.04 0.00 0.02 0.00 0.00 56.10 57.86 3hkj s TRP 207 Cb -0.13 -2.76 -0.00 0.00 -1.15 0.00 0.00 33.47 29.43 3hkj s TRP 207 CO 0.15 0.35 -0.18 0.71 0.02 0.00 0.00 176.95 178.00 3hkj s TYR 208 N -0.35 1.84 -0.52 -1.98 2.02 0.10 -2.04 117.35 116.42 3hkj s TYR 208 Ca 0.36 -0.59 -0.26 0.00 -0.37 0.00 0.00 57.07 56.22 3hkj s TYR 208 Cb -0.21 -1.25 0.03 0.00 -0.40 0.00 0.00 41.96 40.14 3hkj s TYR 208 CO 0.22 -0.22 1.00 -1.14 -1.57 0.00 0.00 175.55 173.85 3hkj s GLN 209 N 0.16 3.46 0.03 -0.62 0.74 -0.43 -0.30 119.66 122.71 3hkj s GLN 209 Ca -0.07 0.03 0.15 0.00 0.05 0.00 0.00 55.36 55.52 3hkj s GLN 209 Cb -0.13 -4.00 -0.16 0.00 1.10 0.00 0.00 33.01 29.82 3hkj s GLN 209 CO 0.03 -1.44 0.80 0.52 -0.55 0.00 0.00 175.29 174.66 3hkj h MET 210 N 9.28 0.00 -4.18 1.67 2.86 -1.27 -3.40 114.93 119.89 3hkj h MET 210 Ca -0.25 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.23 3hkj h MET 210 Cb 1.07 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.61 3hkj h MET 210 CO 1.09 0.39 -0.40 0.20 1.06 0.00 0.00 176.91 179.26 3hkj s GLY 211 N -4.89 1.06 -0.04 8.32 0.00 -0.99 -2.10 107.32 108.68 3hkj s GLY 211 Ca -0.03 -1.35 0.05 0.00 0.00 0.00 0.00 44.72 43.40 3hkj s GLY 211 CO 0.81 -1.06 -0.20 -0.42 0.00 0.00 0.00 173.10 172.23 3hkj s ILE 212 N -4.08 1.64 -0.20 0.90 1.01 -1.06 -1.54 121.20 117.87 3hkj s ILE 212 Ca 0.32 -0.86 -0.29 0.00 0.00 0.00 0.00 60.65 59.82 3hkj s ILE 212 Cb 0.04 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 3hkj s ILE 212 CO 0.11 0.47 1.84 -0.69 0.00 0.00 0.00 174.94 176.67 3hkj s VAL 213 N -0.20 3.39 -0.24 2.92 1.01 -0.37 -0.42 120.40 126.49 3hkj s VAL 213 Ca 0.01 0.43 0.03 0.00 0.00 0.00 0.00 61.98 62.45 3hkj s VAL 213 Cb -0.11 -3.43 -0.17 0.00 0.00 0.00 0.00 36.38 32.67 3hkj s VAL 213 CO 0.01 -0.21 -0.19 -0.24 0.00 0.00 0.00 175.10 174.48 3hkj n SER 214 N 9.42 1.92 -3.14 3.32 2.88 -0.53 -0.19 113.62 127.30 3hkj n SER 214 Ca 0.22 -0.12 0.04 0.00 -1.33 0.00 0.00 58.87 57.68 3hkj n SER 214 Cb 0.45 -0.25 -0.00 0.00 -0.75 0.00 0.00 64.21 63.66 3hkj n SER 214 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hkj s ALA 215 N -2.49 -3.00 -0.10 -1.46 0.00 -0.59 -4.93 121.76 109.19 3hkj s ALA 215 Ca -0.31 1.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.62 3hkj s ALA 215 Cb 0.08 -2.67 -0.05 0.00 0.00 0.00 0.00 23.12 20.48 3hkj s ALA 215 CO 0.59 -1.98 0.26 0.20 0.00 0.00 0.00 175.76 174.82 3hkj s GLY 216 N 2.73 2.26 0.99 0.00 0.00 -1.26 0.28 107.32 112.31 3hkj s GLY 216 Ca 0.16 -0.47 -0.14 0.00 0.00 0.00 0.00 44.72 44.27 3hkj s GLY 216 CO -0.23 0.02 1.14 0.00 0.00 0.00 0.00 173.10 174.03 3hkj s ALA 217 N -0.56 1.39 0.00 3.20 0.00 -1.23 -4.26 121.76 120.31 3hkj s ALA 217 Ca 0.17 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.53 3hkj s ALA 217 Cb -0.14 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.97 3hkj s ALA 217 CO 0.06 -2.66 0.00 0.41 0.00 0.00 0.00 175.76 173.57 3hkj n GLY 219 N -1.84 2.36 3.76 0.00 0.00 -1.26 -3.34 105.19 104.87 3hkj n GLY 219 Ca 0.08 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3hkj n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkj n ASP 221 N 0.00 -5.47 -1.77 0.00 9.92 -1.26 -4.54 116.55 113.44 3hkj n ASP 221 Ca 0.00 -0.84 0.07 0.00 -0.53 0.00 0.00 54.79 53.49 3hkj n ASP 221 Cb 0.00 -2.77 0.39 0.00 -0.64 0.00 0.00 41.12 38.10 3hkj n ASP 221 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3hkj n ARG 221 N -3.09 4.62 0.00 -1.24 1.74 -1.25 -5.06 116.66 112.38 3hkj n ARG 221 Ca -0.18 -3.12 0.00 0.00 -0.77 0.00 0.00 57.85 53.78 3hkj n ARG 221 Cb 0.62 -2.20 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 3hkj n ARG 221 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hkj n GLY 223 N 0.54 0.22 3.85 -0.13 0.00 -1.26 -4.36 105.19 104.05 3hkj n GLY 223 Ca 0.27 0.63 -0.30 0.00 0.00 0.00 0.00 46.02 46.62 3hkj n GLY 223 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hkj s LYS 224 N 0.00 2.30 0.49 1.61 -2.85 -1.26 -4.81 119.74 115.23 3hkj s LYS 224 Ca 0.00 0.45 0.01 0.00 -1.00 0.00 0.00 55.97 55.43 3hkj s LYS 224 Cb 0.00 -1.96 -0.01 0.00 -2.06 0.00 0.00 37.83 33.80 3hkj s LYS 224 CO 0.00 -1.42 0.05 0.71 0.10 0.00 0.00 175.35 174.79 3hkj s TYR 225 N -3.32 1.77 0.06 1.78 2.02 -1.26 -4.92 117.35 113.48 3hkj s TYR 225 Ca 0.60 -1.12 -0.01 0.00 -0.37 0.00 0.00 57.07 56.18 3hkj s TYR 225 Cb -0.12 -1.44 -0.04 0.00 -0.40 0.00 0.00 41.96 39.96 3hkj s TYR 225 CO 0.52 0.01 0.22 0.20 -1.57 0.00 0.00 175.55 174.93 3hkj s GLY 226 N -3.81 2.19 -0.09 0.71 0.00 -0.61 -3.50 107.32 102.20 3hkj s GLY 226 Ca 0.08 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 43.99 3hkj s GLY 226 CO 0.05 -0.78 -0.10 -1.36 0.00 0.00 0.00 173.10 170.91 3hkj s PHE 227 N -1.50 2.85 0.13 1.90 0.08 0.14 -2.00 117.98 119.57 3hkj s PHE 227 Ca 0.35 -0.27 0.08 0.00 0.12 0.00 0.00 56.93 57.20 3hkj s PHE 227 Cb -0.13 -1.77 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 3hkj s PHE 227 CO 0.27 0.08 -0.18 0.71 -0.10 0.00 0.00 175.22 176.00 3hkj s TYR 228 N -0.26 1.67 -0.04 0.36 1.51 0.50 -1.45 117.35 119.64 3hkj s TYR 228 Ca 0.03 -0.47 -0.28 0.00 -1.01 0.00 0.00 57.07 55.34 3hkj s TYR 228 Cb -0.13 -0.88 -0.03 0.00 -0.11 0.00 0.00 41.96 40.81 3hkj s TYR 228 CO 0.03 0.22 0.91 0.99 -1.11 0.00 0.00 175.55 176.59 3hkj s THR 229 N -1.67 4.90 -1.22 -0.71 2.01 0.44 -1.28 115.64 118.11 3hkj s THR 229 Ca 0.09 1.89 -0.21 0.00 0.31 0.00 0.00 61.69 63.78 3hkj s THR 229 Cb -0.08 -4.24 -0.02 0.00 0.01 0.00 0.00 72.50 68.17 3hkj s THR 229 CO 0.05 0.15 1.84 -2.28 -0.69 0.00 0.00 174.62 173.69 3hkj s HIS 230 N 1.15 2.30 0.31 4.92 2.46 0.90 -2.57 115.29 124.76 3hkj s HIS 230 Ca 0.47 -0.41 0.02 0.00 0.47 0.00 0.00 55.06 55.62 3hkj s HIS 230 Cb -0.20 -4.32 0.75 0.00 -0.13 0.00 0.00 32.58 28.68 3hkj s HIS 230 CO 0.24 -1.48 1.58 0.28 -2.47 0.00 0.00 174.74 172.89 3hkj h VAL 231 N 5.98 0.05 -0.68 0.89 2.07 -1.73 0.30 116.25 123.13 3hkj h VAL 231 Ca 0.31 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.76 3hkj h VAL 231 Cb 0.91 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3hkj h VAL 231 CO 1.32 0.00 0.18 0.15 0.02 0.00 0.00 177.57 179.25 3hkj h PHE 232 N 0.02 1.12 -0.27 1.57 3.57 -1.88 -1.95 116.94 119.13 3hkj h PHE 232 Ca 0.59 -0.13 0.06 0.00 3.53 0.00 0.00 57.97 62.02 3hkj h PHE 232 Cb 1.22 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 3hkj h PHE 232 CO -0.47 0.92 0.19 0.00 -2.23 0.00 0.00 178.31 176.71 3hkj h ARG 233 N 1.01 0.10 -0.51 1.11 2.47 -1.30 -0.97 114.38 116.29 3hkj h ARG 233 Ca 0.21 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.93 3hkj h ARG 233 Cb 0.35 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 3hkj h ARG 233 CO -0.00 0.07 0.00 1.28 0.56 0.00 0.00 179.97 181.88 3hkj n LEU 234 N -4.48 4.50 -0.13 3.04 4.77 -0.95 -4.64 117.00 119.11 3hkj n LEU 234 Ca 0.03 -2.61 -0.05 0.00 -0.03 0.00 0.00 56.01 53.35 3hkj n LEU 234 Cb 0.27 -0.54 0.15 0.00 -2.33 0.00 0.00 43.42 40.97 3hkj n LEU 234 CO 0.35 0.74 0.90 0.50 -1.33 0.00 0.00 177.39 178.55 3hkj h LYS 235 N 3.26 0.85 -0.12 3.23 3.64 -0.41 -2.60 116.57 124.42 3hkj h LYS 235 Ca 0.00 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 3hkj h LYS 235 Cb 1.45 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 3hkj h LYS 235 CO 0.25 0.82 0.01 0.87 -2.27 0.00 0.00 179.45 179.13 3hkj h LYS 236 N 0.80 0.16 -0.09 1.90 1.57 -1.82 -0.63 116.57 118.46 3hkj h LYS 236 Ca 0.16 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 3hkj h LYS 236 Cb 0.43 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 3hkj h LYS 236 CO 0.02 0.17 -0.11 2.35 -0.57 0.00 0.00 179.45 181.31 3hkj h TRP 237 N 0.16 0.29 -0.96 -1.35 7.01 -1.82 -0.97 115.95 118.31 3hkj h TRP 237 Ca 0.04 -0.09 0.12 0.00 2.11 0.00 0.00 58.89 61.07 3hkj h TRP 237 Cb 0.10 -0.06 -0.08 0.00 -2.10 0.00 0.00 29.16 27.03 3hkj h TRP 237 CO 0.00 0.69 0.61 0.82 -2.79 0.00 0.00 178.44 177.77 3hkj h ILE 238 N -0.20 0.92 -0.21 2.65 2.04 -1.08 -1.13 117.51 120.50 3hkj h ILE 238 Ca 0.01 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 3hkj h ILE 238 Cb 0.65 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3hkj h ILE 238 CO 0.03 0.17 -0.18 1.56 0.00 0.00 0.00 178.15 179.72 3hkj h GLN 239 N 0.92 0.50 -0.36 2.37 1.08 -1.02 -2.43 115.11 116.17 3hkj h GLN 239 Ca 0.47 -0.25 0.04 0.00 -1.45 0.00 0.00 58.65 57.45 3hkj h GLN 239 Cb 0.50 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.90 3hkj h GLN 239 CO -0.23 0.83 0.13 -0.22 -0.95 0.00 0.00 178.83 178.38 3hkj h LYS 240 N 0.19 0.27 0.07 1.46 3.64 -0.32 0.39 116.57 122.26 3hkj h LYS 240 Ca 0.04 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3hkj h LYS 240 Cb 0.72 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3hkj h LYS 240 CO 0.05 0.18 -0.03 0.28 -2.27 0.00 0.00 179.45 177.65 3hkj h VAL 241 N 0.28 0.98 0.00 2.00 2.07 -1.24 -0.47 116.25 119.86 3hkj h VAL 241 Ca 0.16 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 67.44 3hkj h VAL 241 Cb 0.14 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3hkj h VAL 241 CO -0.17 0.04 -0.50 0.40 0.02 0.00 0.00 177.57 177.36 3hkj h ILE 242 N -0.15 1.31 0.02 4.57 2.04 -1.24 -1.53 117.51 122.53 3hkj h ILE 242 Ca -0.01 -1.73 -0.00 0.00 1.00 0.00 0.00 64.86 64.12 3hkj h ILE 242 Cb 0.13 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 3hkj h ILE 242 CO 0.02 0.49 -0.01 0.44 0.00 0.00 0.00 178.15 179.08 3hkj h ASP 243 N 0.00 -0.02 0.18 1.72 5.19 -0.12 -1.88 116.42 121.49 3hkj h ASP 243 Ca -0.00 -0.64 0.00 0.00 -0.62 0.00 0.00 57.03 55.77 3hkj h ASP 243 Cb 0.90 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.42 3hkj h ASP 243 CO 0.06 0.64 0.00 1.67 -3.12 0.00 0.00 179.24 178.50 3hkj n GLN 244 N -4.78 0.07 -0.34 3.56 7.27 -0.20 -4.73 117.38 118.22 3hkj n GLN 244 Ca -0.09 0.28 0.00 0.00 0.07 0.00 0.00 57.00 57.26 3hkj n GLN 244 Cb 0.33 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.48 3hkj n GLN 244 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3hkj n PHE 245 N -1.37 0.00 -1.28 3.69 -0.00 -0.62 -5.06 117.46 112.82 3hkj n PHE 245 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 3hkj n PHE 245 Cb 0.07 -1.32 0.00 0.00 -0.00 0.00 0.00 39.48 38.23 3hkj n PHE 245 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17