#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkn s TRP 5 N 0.00 3.28 0.00 1.57 1.48 -1.26 -4.90 118.94 119.11 3hkn s TRP 5 Ca 0.00 1.42 0.00 0.00 -1.06 0.00 0.00 56.10 56.46 3hkn s TRP 5 Cb 0.00 -2.85 0.00 0.00 -1.16 0.00 0.00 33.47 29.46 3hkn s TRP 5 CO 0.00 -0.87 0.00 0.41 -4.06 0.00 0.00 176.95 172.43 3hkn n GLY 6 N -1.82 3.02 0.13 3.67 0.00 -0.27 -5.03 105.19 104.89 3hkn n GLY 6 Ca 0.07 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.70 3hkn n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hkn n TYR 7 N 0.00 0.00 -2.23 1.61 4.01 -1.26 -3.85 117.16 115.44 3hkn n TYR 7 Ca 0.00 -0.56 -0.27 0.00 -0.16 0.00 0.00 57.90 56.90 3hkn n TYR 7 Cb 0.00 -0.09 0.17 0.00 -0.31 0.00 0.00 39.34 39.11 3hkn n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3hkn s GLY 8 N -1.72 1.79 0.36 2.72 0.00 -1.26 -4.69 107.32 104.51 3hkn s GLY 8 Ca 0.14 -1.53 0.10 0.00 0.00 0.00 0.00 44.72 43.43 3hkn s GLY 8 CO 0.01 -0.80 1.82 1.70 0.00 0.00 0.00 173.10 175.84 3hkn h LYS 9 N -1.24 0.15 -0.02 2.90 3.11 -1.97 0.11 116.57 119.60 3hkn h LYS 9 Ca -0.40 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.39 3hkn h LYS 9 Cb 1.24 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.46 3hkn h LYS 9 CO 0.35 0.44 -0.17 0.72 -2.81 0.00 0.00 179.45 177.98 3hkn n HIS 10 N -4.14 0.00 -1.47 1.91 8.25 -1.26 -4.47 115.22 114.04 3hkn n HIS 10 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3hkn n HIS 10 Cb 0.38 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.49 3hkn n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3hkn n ASN 11 N 0.83 0.00 -3.22 0.41 6.94 -1.19 -4.97 115.26 114.06 3hkn n ASN 11 Ca 0.12 -1.25 -0.19 0.00 -0.02 0.00 0.00 54.58 53.23 3hkn n ASN 11 Cb 0.54 -0.05 0.14 0.00 -2.36 0.00 0.00 39.78 38.05 3hkn n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hkn n GLY 12 N 0.00 -1.79 0.55 4.83 0.00 0.37 -1.11 105.19 108.04 3hkn n GLY 12 Ca 0.00 -1.63 0.43 0.00 0.00 0.00 0.00 46.02 44.83 3hkn n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hkn h PRO 13 N 0.00 0.03 0.00 1.61 0.11 -1.84 0.33 132.00 132.23 3hkn h PRO 13 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3hkn h PRO 13 Cb 0.79 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.89 3hkn h PRO 13 CO 0.19 0.02 0.00 0.93 -0.21 0.00 0.00 178.00 178.93 3hkn h GLU 14 N 0.03 0.00 0.00 1.05 3.07 -1.93 -3.15 114.58 113.65 3hkn h GLU 14 Ca 0.87 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.69 3hkn h GLU 14 Cb 3.05 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 30.95 3hkn h GLU 14 CO -0.29 0.00 -1.96 0.72 -1.40 0.00 0.00 179.01 176.08 3hkn n HIS 15 N -2.88 0.00 -0.30 4.33 8.25 0.11 -4.63 115.22 120.10 3hkn n HIS 15 Ca 0.01 0.00 0.22 0.00 -0.26 0.00 0.00 57.72 57.69 3hkn n HIS 15 Cb 0.28 -0.52 0.51 0.00 1.12 0.00 0.00 29.99 31.38 3hkn n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3hkn h TRP 16 N 0.00 0.61 -0.02 4.41 6.55 -1.49 -2.15 115.95 123.87 3hkn h TRP 16 Ca -0.07 0.02 0.01 0.00 0.95 0.00 0.00 58.89 59.80 3hkn h TRP 16 Cb 1.08 -0.18 -0.00 0.00 -0.86 0.00 0.00 29.16 29.20 3hkn h TRP 16 CO 0.00 0.09 0.04 1.12 -1.05 0.00 0.00 178.44 178.64 3hkn h HIS 17 N 0.40 0.00 -0.44 0.49 2.07 -1.79 0.27 115.15 116.14 3hkn h HIS 17 Ca 0.55 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.96 3hkn h HIS 17 Cb 1.41 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.37 3hkn h HIS 17 CO -0.00 0.00 -0.17 0.87 -3.07 0.00 0.00 177.93 175.56 3hkn h LYS 18 N 0.00 0.85 0.00 5.12 1.57 -1.74 -2.42 116.57 119.96 3hkn h LYS 18 Ca 0.01 -0.32 -0.07 0.00 -1.87 0.00 0.00 60.65 58.40 3hkn h LYS 18 Cb 0.08 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3hkn h LYS 18 CO -0.00 0.96 -1.95 -0.25 -0.57 0.00 0.00 179.45 177.64 3hkn n ASP 19 N -4.13 0.12 -3.55 0.86 9.92 -0.94 -4.67 116.55 114.15 3hkn n ASP 19 Ca 0.01 0.05 -0.27 0.00 -0.53 0.00 0.00 54.79 54.04 3hkn n ASP 19 Cb 0.41 1.60 -0.10 0.00 -0.64 0.00 0.00 41.12 42.39 3hkn n ASP 19 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3hkn n PHE 20 N -2.41 0.76 0.31 1.24 3.72 0.04 -4.98 117.46 116.14 3hkn n PHE 20 Ca -0.09 -3.71 0.15 0.00 -0.05 0.00 0.00 57.45 53.76 3hkn n PHE 20 Cb 0.68 -0.12 0.78 0.00 -0.94 0.00 0.00 39.48 39.88 3hkn n PHE 20 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3hkn h PRO 21 N 5.35 0.00 0.00 -1.08 0.13 -1.66 0.22 132.00 134.96 3hkn h PRO 21 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 3hkn h PRO 21 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3hkn h PRO 21 CO 0.52 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.80 3hkn n ILE 22 N -2.95 1.44 0.34 -3.56 0.13 -1.26 -2.13 119.36 111.36 3hkn n ILE 22 Ca -0.01 0.38 0.22 0.00 -1.10 0.00 0.00 62.75 62.24 3hkn n ILE 22 Cb 0.43 -1.26 1.20 0.00 -0.84 0.00 0.00 39.64 39.17 3hkn n ILE 22 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3hkn h ALA 23 N 2.25 1.04 -0.33 1.51 0.00 -1.27 0.36 119.26 122.81 3hkn h ALA 23 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3hkn h ALA 23 Cb 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 3hkn h ALA 23 CO 0.00 -0.01 -0.03 1.63 0.00 0.00 0.00 179.25 180.84 3hkn n LYS 24 N -3.12 2.14 -0.30 0.00 5.02 -0.91 -4.96 118.16 116.03 3hkn n LYS 24 Ca -0.03 -3.06 -0.08 0.00 -2.02 0.00 0.00 58.31 53.12 3hkn n LYS 24 Cb 0.08 -1.83 0.07 0.00 -0.02 0.00 0.00 35.03 33.33 3hkn n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hkn n GLY 25 N -0.96 -2.42 0.19 0.72 0.00 0.12 -4.99 105.19 97.84 3hkn n GLY 25 Ca 0.30 -1.48 0.10 0.00 0.00 0.00 0.00 46.02 44.94 3hkn n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hkn h GLU 26 N 0.00 0.00 -2.00 1.61 4.22 -1.96 -3.39 114.58 113.05 3hkn h GLU 26 Ca -0.11 0.00 -0.48 0.00 0.08 0.00 0.00 59.36 58.85 3hkn h GLU 26 Cb 0.34 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.19 3hkn h GLU 26 CO 0.07 0.11 -1.20 2.89 -2.18 0.00 0.00 179.01 178.71 3hkn n ARG 27 N -3.06 0.97 -2.95 1.92 1.85 -1.26 -4.66 116.66 109.47 3hkn n ARG 27 Ca 0.03 -3.38 -0.30 0.00 -1.00 0.00 0.00 57.85 53.19 3hkn n ARG 27 Cb 0.58 -1.70 -0.03 0.00 -1.05 0.00 0.00 32.46 30.26 3hkn n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3hkn s GLN 28 N -2.41 3.77 0.16 2.89 -1.52 -1.26 -2.65 119.66 118.65 3hkn s GLN 28 Ca 0.40 0.42 0.06 0.00 -1.95 0.00 0.00 55.36 54.29 3hkn s GLN 28 Cb 0.35 -2.43 -0.04 0.00 -0.22 0.00 0.00 33.01 30.66 3hkn s GLN 28 CO -0.08 0.02 -0.13 -1.12 -0.25 0.00 0.00 175.29 173.72 3hkn s SER 29 N -3.08 2.21 1.02 5.90 0.01 -1.26 -4.66 113.70 113.84 3hkn s SER 29 Ca 0.50 -0.95 -0.16 0.00 1.31 0.00 0.00 55.95 56.65 3hkn s SER 29 Cb -0.10 -0.08 0.22 0.00 0.21 0.00 0.00 66.02 66.26 3hkn s SER 29 CO 0.30 -0.20 1.23 -0.81 0.41 0.00 0.00 173.24 174.18 3hkn n PRO 30 N -0.04 -1.40 -4.08 12.44 -0.04 -1.26 -4.51 135.00 136.11 3hkn n PRO 30 Ca -0.11 -1.91 -0.09 0.00 -0.04 0.00 0.00 63.50 61.35 3hkn n PRO 30 Cb 0.59 -1.32 -0.09 0.00 -0.04 0.00 0.00 33.50 32.64 3hkn n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3hkn s VAL 31 N -3.66 0.14 0.00 0.52 -7.23 -1.26 -0.16 120.40 108.74 3hkn s VAL 31 Ca 0.71 -1.75 -0.23 0.00 -1.81 0.00 0.00 61.98 58.91 3hkn s VAL 31 Cb -0.02 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 35.07 3hkn s VAL 31 CO 0.50 -0.62 0.67 -0.62 -0.31 0.00 0.00 175.10 174.73 3hkn s ASP 32 N -2.98 7.06 -0.52 4.85 2.15 -1.26 -3.14 116.67 122.83 3hkn s ASP 32 Ca 0.16 1.27 -0.18 0.00 0.43 0.00 0.00 52.55 54.22 3hkn s ASP 32 Cb 0.07 -2.41 0.07 0.00 -0.30 0.00 0.00 42.92 40.35 3hkn s ASP 32 CO -0.03 0.03 0.60 -0.63 -0.17 0.00 0.00 175.17 174.97 3hkn s ILE 33 N 0.05 4.93 -0.62 4.11 -1.09 0.75 -4.93 121.20 124.39 3hkn s ILE 33 Ca 0.35 -0.68 -0.25 0.00 -2.23 0.00 0.00 60.65 57.84 3hkn s ILE 33 Cb -0.19 -4.30 0.05 0.00 -1.58 0.00 0.00 42.46 36.43 3hkn s ILE 33 CO 0.19 -0.82 1.03 -0.62 -1.23 0.00 0.00 174.94 173.50 3hkn s ASP 34 N 2.84 6.27 0.65 3.58 2.15 -1.26 -0.97 116.67 129.93 3hkn s ASP 34 Ca 0.13 -0.51 0.37 0.00 0.43 0.00 0.00 52.55 52.96 3hkn s ASP 34 Cb -0.21 -2.47 2.03 0.00 -0.30 0.00 0.00 42.92 41.98 3hkn s ASP 34 CO 0.10 -1.43 2.19 0.71 -0.17 0.00 0.00 175.17 176.57 3hkn h THR 35 N 6.02 0.12 -0.12 1.71 1.35 -1.95 -0.53 112.91 119.51 3hkn h THR 35 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3hkn h THR 35 Cb 1.07 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 3hkn h THR 35 CO 1.16 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 177.84 3hkn n HIS 36 N -3.21 0.14 -0.00 4.73 8.25 -1.26 -3.91 115.22 119.97 3hkn n HIS 36 Ca -0.02 -0.07 0.02 0.00 -0.26 0.00 0.00 57.72 57.39 3hkn n HIS 36 Cb 0.21 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.28 3hkn n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3hkn n THR 37 N 0.66 0.03 -1.99 1.59 -1.04 -0.26 -5.01 114.28 108.26 3hkn n THR 37 Ca 0.17 -0.12 -0.40 0.00 -2.04 0.00 0.00 64.05 61.66 3hkn n THR 37 Cb 0.44 0.27 -0.00 0.00 -1.82 0.00 0.00 70.33 69.21 3hkn n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hkn s ALA 38 N -2.32 3.36 -0.23 2.41 0.00 -0.89 -4.83 121.76 119.27 3hkn s ALA 38 Ca -0.02 1.33 -0.08 0.00 0.00 0.00 0.00 51.96 53.20 3hkn s ALA 38 Cb 0.03 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 3hkn s ALA 38 CO 0.20 -0.88 0.08 0.21 0.00 0.00 0.00 175.76 175.37 3hkn s LYS 39 N -2.15 3.81 0.14 0.00 2.47 -0.60 -4.83 119.74 118.57 3hkn s LYS 39 Ca 0.55 -0.41 -0.31 0.00 -1.56 0.00 0.00 55.97 54.24 3hkn s LYS 39 Cb -0.41 -3.32 -0.09 0.00 -1.46 0.00 0.00 37.83 32.55 3hkn s LYS 39 CO 0.53 -0.02 1.58 -0.47 0.16 0.00 0.00 175.35 177.14 3hkn s TYR 40 N 1.17 2.90 -0.42 4.03 5.04 -1.26 -0.67 117.35 128.14 3hkn s TYR 40 Ca 0.05 0.56 0.00 0.00 -2.44 0.00 0.00 57.07 55.24 3hkn s TYR 40 Cb -0.14 -3.92 0.11 0.00 0.35 0.00 0.00 41.96 38.36 3hkn s TYR 40 CO 0.04 -3.48 0.18 0.34 -1.34 0.00 0.00 175.55 171.29 3hkn s ASP 41 N 1.48 4.98 0.00 4.32 -1.08 -0.18 -4.86 116.67 121.33 3hkn s ASP 41 Ca 0.71 -2.28 0.10 0.00 -0.52 0.00 0.00 52.55 50.55 3hkn s ASP 41 Cb -0.42 -1.74 0.42 0.00 -1.46 0.00 0.00 42.92 39.72 3hkn s ASP 41 CO 0.31 -0.43 1.28 -0.81 0.52 0.00 0.00 175.17 176.05 3hkn n PRO 42 N 4.18 0.03 0.01 4.34 -0.04 -1.26 -1.95 135.00 140.31 3hkn n PRO 42 Ca 0.02 0.31 0.13 0.00 -0.04 0.00 0.00 63.50 63.91 3hkn n PRO 42 Cb 0.40 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.73 3hkn n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3hkn n SER 43 N -1.46 0.36 -4.66 3.54 3.41 -1.26 -4.84 113.62 108.72 3hkn n SER 43 Ca 0.03 0.03 -0.42 0.00 -0.26 0.00 0.00 58.87 58.24 3hkn n SER 43 Cb 0.10 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 3hkn n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hkn s LEU 44 N -3.12 4.28 0.77 1.04 1.43 -0.82 -4.98 118.68 117.28 3hkn s LEU 44 Ca 0.12 2.18 -0.11 0.00 -1.03 0.00 0.00 54.13 55.29 3hkn s LEU 44 Cb 0.18 -3.53 0.06 0.00 0.03 0.00 0.00 46.19 42.92 3hkn s LEU 44 CO 0.65 -0.96 1.09 -0.54 0.23 0.00 0.00 176.35 176.82 3hkn s LYS 45 N 4.10 2.25 0.43 1.70 1.02 -1.20 -4.91 119.74 123.14 3hkn s LYS 45 Ca 0.73 1.18 -0.25 0.00 0.02 0.00 0.00 55.97 57.65 3hkn s LYS 45 Cb -0.32 -1.90 -0.09 0.00 -0.52 0.00 0.00 37.83 35.00 3hkn s LYS 45 CO 0.29 -1.65 1.34 -2.30 -0.92 0.00 0.00 175.35 172.11 3hkn n PRO 46 N -3.50 2.06 -2.78 -1.68 -0.02 -1.26 -1.81 135.00 126.02 3hkn n PRO 46 Ca 0.09 0.73 -0.41 0.00 -2.02 0.00 0.00 63.50 61.89 3hkn n PRO 46 Cb 0.53 -2.48 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 3hkn n PRO 46 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3hkn s LEU 47 N -2.06 4.42 -0.26 2.45 0.20 -1.26 -1.61 118.68 120.57 3hkn s LEU 47 Ca 0.61 1.65 0.01 0.00 0.69 0.00 0.00 54.13 57.09 3hkn s LEU 47 Cb -0.49 -3.50 0.05 0.00 -0.43 0.00 0.00 46.19 41.83 3hkn s LEU 47 CO 0.58 -0.14 -0.09 -0.55 -0.29 0.00 0.00 176.35 175.86 3hkn s SER 48 N 0.48 4.43 -0.40 3.68 0.15 0.56 -4.89 113.70 117.72 3hkn s SER 48 Ca 0.47 -1.27 -0.08 0.00 0.70 0.00 0.00 55.95 55.77 3hkn s SER 48 Cb -0.22 -1.59 0.07 0.00 -1.71 0.00 0.00 66.02 62.58 3hkn s SER 48 CO 0.27 -0.19 0.22 -0.69 1.20 0.00 0.00 173.24 174.06 3hkn s VAL 49 N 1.17 4.06 -0.75 4.45 1.01 -1.26 -0.79 120.40 128.28 3hkn s VAL 49 Ca -0.06 -1.40 -0.06 0.00 0.00 0.00 0.00 61.98 60.45 3hkn s VAL 49 Cb -0.19 -3.47 0.19 0.00 0.00 0.00 0.00 36.38 32.91 3hkn s VAL 49 CO -0.05 -0.46 0.63 -0.44 0.00 0.00 0.00 175.10 174.78 3hkn s SER 50 N 1.96 5.89 -0.17 3.32 0.01 -0.09 -4.87 113.70 119.75 3hkn s SER 50 Ca 0.03 -3.01 0.16 0.00 1.31 0.00 0.00 55.95 54.43 3hkn s SER 50 Cb -0.22 -1.98 0.58 0.00 0.21 0.00 0.00 66.02 64.61 3hkn s SER 50 CO 0.02 -0.39 1.49 -1.22 0.41 0.00 0.00 173.24 173.55 3hkn n TYR 51 N 3.36 1.17 -0.29 2.43 4.01 -1.26 -1.12 117.16 125.46 3hkn n TYR 51 Ca 0.13 -0.80 -0.02 0.00 -0.16 0.00 0.00 57.90 57.05 3hkn n TYR 51 Cb 0.40 -0.33 0.14 0.00 -0.31 0.00 0.00 39.34 39.25 3hkn n TYR 51 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 3hkn h ASP 52 N 2.43 1.03 -0.57 7.72 1.82 -1.89 -2.90 116.42 124.06 3hkn h ASP 52 Ca 0.00 -0.07 -0.12 0.00 -0.39 0.00 0.00 57.03 56.45 3hkn h ASP 52 Cb 1.49 -0.26 -0.07 0.00 0.68 0.00 0.00 39.33 41.17 3hkn h ASP 52 CO 0.26 0.81 0.12 0.00 -1.61 0.00 0.00 179.24 178.82 3hkn n GLN 53 N -4.36 3.67 -1.72 0.28 1.13 -1.25 -5.01 117.38 110.12 3hkn n GLN 53 Ca 0.09 -3.07 -0.42 0.00 -1.94 0.00 0.00 57.00 51.66 3hkn n GLN 53 Cb 0.07 -2.12 -0.02 0.00 0.11 0.00 0.00 30.24 28.28 3hkn n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hkn n ALA 54 N -0.14 2.49 -3.98 -1.58 0.00 -1.10 -4.46 120.51 111.73 3hkn n ALA 54 Ca 0.33 0.39 -0.31 0.00 0.00 0.00 0.00 53.44 53.86 3hkn n ALA 54 Cb 1.21 -2.47 -0.15 0.00 0.00 0.00 0.00 19.45 18.05 3hkn n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hkn s THR 55 N 0.56 2.32 0.47 0.00 2.01 -1.26 -4.88 115.64 114.86 3hkn s THR 55 Ca 0.70 -2.64 -0.21 0.00 0.31 0.00 0.00 61.69 59.85 3hkn s THR 55 Cb -0.52 -2.68 -0.08 0.00 0.01 0.00 0.00 72.50 69.22 3hkn s THR 55 CO 0.41 -0.67 1.05 -0.94 -0.69 0.00 0.00 174.62 173.77 3hkn s SER 56 N 0.53 6.39 0.01 3.53 1.04 -1.26 -0.82 113.70 123.12 3hkn s SER 56 Ca 0.13 1.97 0.00 0.00 0.48 0.00 0.00 55.95 58.53 3hkn s SER 56 Cb -0.21 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.34 3hkn s SER 56 CO -0.06 -0.75 0.00 0.18 0.98 0.00 0.00 173.24 173.59 3hkn n LEU 57 N -0.79 0.11 -3.74 2.42 4.77 0.40 -4.07 117.00 116.10 3hkn n LEU 57 Ca 0.08 0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.99 3hkn n LEU 57 Cb 0.52 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 3hkn n LEU 57 CO 0.41 -0.13 0.18 -0.60 -1.33 0.00 0.00 177.39 175.91 3hkn s ARG 58 N -2.00 1.22 -0.09 3.23 3.52 -1.22 -1.65 118.95 121.96 3hkn s ARG 58 Ca 0.00 -0.86 0.03 0.00 -0.13 0.00 0.00 55.73 54.78 3hkn s ARG 58 Cb 0.00 0.48 0.00 0.00 -1.56 0.00 0.00 34.95 33.87 3hkn s ARG 58 CO 0.00 -0.49 -0.20 -1.50 -0.81 0.00 0.00 175.30 172.29 3hkn s ILE 59 N -3.86 1.77 -0.01 4.11 1.10 -0.50 -0.45 121.20 123.36 3hkn s ILE 59 Ca 0.08 -0.85 0.03 0.00 -0.51 0.00 0.00 60.65 59.40 3hkn s ILE 59 Cb 0.01 -1.55 -0.01 0.00 0.15 0.00 0.00 42.46 41.06 3hkn s ILE 59 CO -0.06 0.50 -0.09 -0.22 -2.11 0.00 0.00 174.94 172.96 3hkn s LEU 60 N 0.44 1.99 -0.36 8.50 2.96 -0.06 -1.10 118.68 131.05 3hkn s LEU 60 Ca -0.18 -0.16 -0.18 0.00 -0.22 0.00 0.00 54.13 53.40 3hkn s LEU 60 Cb -0.17 -0.45 0.00 0.00 0.50 0.00 0.00 46.19 46.06 3hkn s LEU 60 CO 0.07 0.10 0.50 0.21 -1.32 0.00 0.00 176.35 175.92 3hkn s ASN 61 N -0.17 6.29 -0.09 3.68 3.84 -0.20 -0.55 114.94 127.74 3hkn s ASN 61 Ca 0.03 -0.14 0.18 0.00 0.21 0.00 0.00 52.86 53.14 3hkn s ASN 61 Cb -0.04 -2.26 0.67 0.00 -0.55 0.00 0.00 41.25 39.07 3hkn s ASN 61 CO -0.00 -0.51 1.58 -0.46 -2.79 0.00 0.00 177.10 174.92 3hkn n ASN 62 N 5.74 4.48 0.00 -4.21 0.23 -0.65 -0.50 115.26 120.35 3hkn n ASN 62 Ca -0.05 -2.38 0.00 0.00 -0.53 0.00 0.00 54.58 51.62 3hkn n ASN 62 Cb 0.49 -0.54 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 3hkn n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hkn n GLY 63 N 1.08 1.66 0.00 4.83 0.00 -1.26 -4.74 105.19 106.76 3hkn n GLY 63 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3hkn n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hkn n HIS 64 N -2.00 0.00 -3.11 1.61 8.25 -1.26 -4.73 115.22 113.98 3hkn n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3hkn n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3hkn n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hkn n ALA 65 N -1.91 0.00 -2.46 -1.41 0.00 -1.26 -4.86 120.51 108.61 3hkn n ALA 65 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 3hkn n ALA 65 Cb 0.40 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.69 3hkn n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3hkn s PHE 66 N -4.87 1.93 -0.06 0.00 -0.71 -1.26 -1.64 117.98 111.37 3hkn s PHE 66 Ca 0.00 -0.39 0.03 0.00 -1.04 0.00 0.00 56.93 55.54 3hkn s PHE 66 Cb 0.00 -1.25 -0.02 0.00 -1.21 0.00 0.00 43.02 40.54 3hkn s PHE 66 CO 0.00 -0.05 -0.16 -0.80 -1.34 0.00 0.00 175.22 172.87 3hkn s ASN 67 N -0.45 3.85 -0.31 1.98 0.02 0.29 -4.28 114.94 116.04 3hkn s ASN 67 Ca 0.07 -0.28 -0.10 0.00 -1.02 0.00 0.00 52.86 51.53 3hkn s ASN 67 Cb -0.09 -0.96 -0.02 0.00 0.02 0.00 0.00 41.25 40.21 3hkn s ASN 67 CO -0.00 0.30 0.17 -0.69 0.02 0.00 0.00 177.10 176.90 3hkn s VAL 68 N -0.45 4.86 0.14 1.60 1.01 -0.27 -0.88 120.40 126.40 3hkn s VAL 68 Ca 0.05 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 3hkn s VAL 68 Cb -0.12 -3.45 -0.06 0.00 0.00 0.00 0.00 36.38 32.76 3hkn s VAL 68 CO 0.02 0.09 0.38 -1.61 0.00 0.00 0.00 175.10 173.98 3hkn s GLU 69 N 1.66 3.63 0.22 2.72 2.02 0.40 -1.75 118.70 127.60 3hkn s GLU 69 Ca 0.05 -0.06 0.09 0.00 0.02 0.00 0.00 54.97 55.07 3hkn s GLU 69 Cb -0.17 -2.85 -0.05 0.00 0.10 0.00 0.00 34.13 31.16 3hkn s GLU 69 CO 0.08 0.47 -0.17 -0.06 0.02 0.00 0.00 175.26 175.60 3hkn s PHE 70 N -1.65 1.93 -0.40 1.61 0.40 -0.47 -0.46 117.98 118.96 3hkn s PHE 70 Ca 0.41 -0.47 -0.28 0.00 -0.60 0.00 0.00 56.93 55.98 3hkn s PHE 70 Cb -0.12 -0.89 0.02 0.00 0.51 0.00 0.00 43.02 42.54 3hkn s PHE 70 CO 0.24 0.47 1.07 0.34 0.70 0.00 0.00 175.22 178.04 3hkn s ASP 71 N -3.24 6.75 -0.33 1.36 2.15 -0.00 -4.83 116.67 118.52 3hkn s ASP 71 Ca 0.24 0.70 0.07 0.00 0.43 0.00 0.00 52.55 53.99 3hkn s ASP 71 Cb -0.03 -2.53 0.48 0.00 -0.30 0.00 0.00 42.92 40.54 3hkn s ASP 71 CO 0.09 -1.03 1.43 -0.90 -0.17 0.00 0.00 175.17 174.60 3hkn n ASP 72 N 7.24 3.72 0.07 -0.34 5.75 -1.26 -4.60 116.55 127.13 3hkn n ASP 72 Ca 0.11 -3.80 0.13 0.00 -0.01 0.00 0.00 54.79 51.22 3hkn n ASP 72 Cb 0.48 -0.58 0.40 0.00 -1.03 0.00 0.00 41.12 40.39 3hkn n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3hkn n SER 73 N -0.98 0.60 -4.13 -1.12 3.41 -1.26 -4.88 113.62 105.26 3hkn n SER 73 Ca 0.39 0.43 -0.12 0.00 -0.26 0.00 0.00 58.87 59.31 3hkn n SER 73 Cb 0.94 -0.50 -0.09 0.00 -0.26 0.00 0.00 64.21 64.30 3hkn n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3hkn s GLN 74 N -3.08 1.29 -1.18 4.33 -0.21 -1.26 -5.05 119.66 114.50 3hkn s GLN 74 Ca 0.11 -1.56 -0.09 0.00 0.02 0.00 0.00 55.36 53.83 3hkn s GLN 74 Cb 0.14 0.31 -0.14 0.00 1.00 0.00 0.00 33.01 34.32 3hkn s GLN 74 CO 0.61 -0.45 3.15 -0.25 -2.12 0.00 0.00 175.29 176.23 3hkn n ASP 75 N -0.33 7.80 0.16 5.90 8.00 -1.26 -4.58 116.55 132.24 3hkn n ASP 75 Ca 0.01 -2.54 -0.07 0.00 0.71 0.00 0.00 54.79 52.90 3hkn n ASP 75 Cb 0.65 -1.52 -0.04 0.00 -0.02 0.00 0.00 41.12 40.19 3hkn n ASP 75 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3hkn h LYS 76 N 4.44 -0.46 -4.89 -1.24 1.57 -1.87 -3.43 116.57 110.69 3hkn h LYS 76 Ca 0.69 0.03 -0.67 0.00 -1.87 0.00 0.00 60.65 58.83 3hkn h LYS 76 Cb 0.62 0.11 -0.33 0.00 0.08 0.00 0.00 32.23 32.71 3hkn h LYS 76 CO 1.36 -0.31 -0.75 0.00 -0.57 0.00 0.00 179.45 179.18 3hkn s ALA 77 N -3.76 2.69 0.13 3.86 0.00 -1.26 -3.74 121.76 119.68 3hkn s ALA 77 Ca -0.07 -1.52 0.03 0.00 0.00 0.00 0.00 51.96 50.40 3hkn s ALA 77 Cb 0.01 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 3hkn s ALA 77 CO 0.21 -0.90 -0.08 0.14 0.00 0.00 0.00 175.76 175.13 3hkn s VAL 78 N 1.29 0.97 -0.09 0.00 -7.23 -0.28 -1.03 120.40 114.04 3hkn s VAL 78 Ca -0.01 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.18 3hkn s VAL 78 Cb -0.17 -1.79 -0.01 0.00 0.56 0.00 0.00 36.38 34.97 3hkn s VAL 78 CO -0.04 -0.79 -0.21 -0.22 -0.31 0.00 0.00 175.10 173.53 3hkn s LEU 79 N -3.12 2.28 0.28 1.32 2.96 0.65 -0.91 118.68 122.14 3hkn s LEU 79 Ca 0.15 -0.47 -0.03 0.00 -0.22 0.00 0.00 54.13 53.57 3hkn s LEU 79 Cb 0.04 -1.46 -0.01 0.00 0.50 0.00 0.00 46.19 45.25 3hkn s LEU 79 CO -0.01 0.19 0.36 -0.54 -1.32 0.00 0.00 176.35 175.03 3hkn s LYS 80 N 0.15 1.63 2.35 1.98 1.02 0.03 -1.89 119.74 125.01 3hkn s LYS 80 Ca -0.11 -1.66 0.00 0.00 0.02 0.00 0.00 55.97 54.22 3hkn s LYS 80 Cb -0.16 0.39 0.00 0.00 -0.52 0.00 0.00 37.83 37.54 3hkn s LYS 80 CO 0.06 -0.64 0.00 0.41 -0.92 0.00 0.00 175.35 174.27 3hkn n GLY 81 N -0.46 -0.77 7.00 -3.33 0.00 -1.26 -0.32 105.19 106.04 3hkn n GLY 81 Ca 0.02 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.87 3hkn n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkn n GLY 82 N 0.00 3.41 0.64 -0.02 0.00 -0.63 -0.87 105.19 107.72 3hkn n GLY 82 Ca 0.00 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 45.96 3hkn n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hkn n PRO 83 N 13.95 1.85 -3.08 1.61 -0.04 -1.26 -3.23 135.00 144.79 3hkn n PRO 83 Ca 0.00 -1.27 -0.39 0.00 -0.04 0.00 0.00 63.50 61.80 3hkn n PRO 83 Cb 0.00 -1.42 -0.06 0.00 -0.04 0.00 0.00 33.50 31.98 3hkn n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hkn s LEU 84 N -1.59 4.55 -0.21 1.53 1.43 -0.05 -5.06 118.68 119.28 3hkn s LEU 84 Ca 0.33 1.51 -0.03 0.00 -1.03 0.00 0.00 54.13 54.91 3hkn s LEU 84 Cb 0.18 -3.21 -0.00 0.00 0.03 0.00 0.00 46.19 43.19 3hkn s LEU 84 CO 0.27 0.21 -0.07 -0.62 0.23 0.00 0.00 176.35 176.37 3hkn s ASP 85 N -1.20 4.08 0.00 2.29 2.15 -1.26 -4.15 116.67 118.58 3hkn s ASP 85 Ca 0.35 -0.43 0.00 0.00 0.43 0.00 0.00 52.55 52.89 3hkn s ASP 85 Cb -0.21 -1.69 0.00 0.00 -0.30 0.00 0.00 42.92 40.72 3hkn s ASP 85 CO 0.24 -0.01 0.00 0.61 -0.17 0.00 0.00 175.17 175.84 3hkn n GLY 86 N 4.71 -1.82 3.31 2.66 0.00 -1.26 -4.96 105.19 107.82 3hkn n GLY 86 Ca -0.19 -1.96 -0.32 0.00 0.00 0.00 0.00 46.02 43.55 3hkn n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hkn s THR 87 N 0.00 2.44 -0.17 2.61 2.01 -1.26 -4.57 115.64 116.69 3hkn s THR 87 Ca 0.00 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.09 3hkn s THR 87 Cb 0.00 -1.94 0.01 0.00 0.01 0.00 0.00 72.50 70.57 3hkn s THR 87 CO 0.00 0.56 -0.17 -0.31 -0.69 0.00 0.00 174.62 174.01 3hkn s TYR 88 N 0.02 2.79 0.00 4.92 1.51 -0.79 -1.35 117.35 124.45 3hkn s TYR 88 Ca -0.07 -1.35 -0.20 0.00 -1.01 0.00 0.00 57.07 54.44 3hkn s TYR 88 Cb -0.15 -1.92 -0.05 0.00 -0.11 0.00 0.00 41.96 39.72 3hkn s TYR 88 CO 0.05 -0.66 0.58 1.03 -1.11 0.00 0.00 175.55 175.44 3hkn s ARG 89 N 1.13 4.28 0.10 -0.62 0.52 -0.15 -0.25 118.95 123.96 3hkn s ARG 89 Ca 0.01 0.71 -0.31 0.00 -0.52 0.00 0.00 55.73 55.61 3hkn s ARG 89 Cb -0.14 -3.33 -0.07 0.00 0.52 0.00 0.00 34.95 31.93 3hkn s ARG 89 CO -0.07 0.41 1.36 -1.17 0.02 0.00 0.00 175.30 175.85 3hkn s LEU 90 N -0.32 4.37 -0.03 2.53 2.96 -0.19 -1.14 118.68 126.86 3hkn s LEU 90 Ca 0.30 2.27 0.03 0.00 -0.22 0.00 0.00 54.13 56.50 3hkn s LEU 90 Cb -0.18 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 3hkn s LEU 90 CO 0.17 -0.62 0.01 0.00 -1.32 0.00 0.00 176.35 174.58 3hkn n ILE 91 N 3.97 0.21 -3.59 6.68 3.06 -0.15 -4.57 119.36 124.97 3hkn n ILE 91 Ca 0.11 -0.13 -0.05 0.00 -2.50 0.00 0.00 62.75 60.19 3hkn n ILE 91 Cb 0.43 -0.92 -0.02 0.00 0.54 0.00 0.00 39.64 39.68 3hkn n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3hkn s GLN 92 N -2.07 0.61 0.03 9.51 1.03 -1.22 -1.37 119.66 126.19 3hkn s GLN 92 Ca -0.02 -0.26 -0.00 0.00 0.04 0.00 0.00 55.36 55.12 3hkn s GLN 92 Cb 0.01 0.25 -0.03 0.00 0.03 0.00 0.00 33.01 33.27 3hkn s GLN 92 CO 0.12 -0.27 -0.03 -0.59 -2.54 0.00 0.00 175.29 171.98 3hkn s PHE 93 N -2.76 0.39 0.35 9.60 -0.12 -0.72 -0.68 117.98 124.05 3hkn s PHE 93 Ca 0.09 -0.75 -0.14 0.00 -0.05 0.00 0.00 56.93 56.08 3hkn s PHE 93 Cb -0.00 -0.28 0.04 0.00 -0.63 0.00 0.00 43.02 42.14 3hkn s PHE 93 CO -0.05 -0.26 0.71 -3.38 -0.05 0.00 0.00 175.22 172.19 3hkn s HIS 94 N -2.47 0.25 0.25 3.49 -3.43 -0.84 -1.11 115.29 111.42 3hkn s HIS 94 Ca -0.06 -0.79 0.04 0.00 -0.80 0.00 0.00 55.06 53.44 3hkn s HIS 94 Cb -0.03 0.62 -0.05 0.00 -1.43 0.00 0.00 32.58 31.69 3hkn s HIS 94 CO -0.05 -1.41 0.00 -0.06 -2.00 0.00 0.00 174.74 171.22 3hkn s PHE 95 N -2.79 1.66 -0.05 0.38 0.40 -1.26 -0.91 117.98 115.41 3hkn s PHE 95 Ca 0.18 -0.91 0.02 0.00 -0.60 0.00 0.00 56.93 55.62 3hkn s PHE 95 Cb -0.04 -0.98 0.01 0.00 0.51 0.00 0.00 43.02 42.52 3hkn s PHE 95 CO 0.12 -0.00 -0.10 -1.01 0.70 0.00 0.00 175.22 174.93 3hkn s HIS 96 N -3.36 1.19 0.21 0.36 3.76 -0.31 -4.76 115.29 112.38 3hkn s HIS 96 Ca 0.30 -0.39 -0.06 0.00 -0.15 0.00 0.00 55.06 54.77 3hkn s HIS 96 Cb 0.06 -0.89 -0.03 0.00 1.11 0.00 0.00 32.58 32.83 3hkn s HIS 96 CO 0.10 -0.21 0.26 1.67 -0.85 0.00 0.00 174.74 175.72 3hkn s TRP 97 N 0.56 0.81 0.39 1.40 -2.14 -1.22 -0.81 118.94 117.93 3hkn s TRP 97 Ca -0.11 -1.10 0.03 0.00 2.66 0.00 0.00 56.10 57.59 3hkn s TRP 97 Cb -0.14 -0.26 0.03 0.00 -3.10 0.00 0.00 33.47 30.01 3hkn s TRP 97 CO 0.02 -0.77 0.29 0.41 -2.66 0.00 0.00 176.95 174.24 3hkn n GLY 98 N -0.30 2.84 0.04 3.67 0.00 -1.15 -0.69 105.19 109.61 3hkn n GLY 98 Ca -0.00 -2.26 0.12 0.00 0.00 0.00 0.00 46.02 43.87 3hkn n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hkn n SER 99 N -1.88 0.64 -4.10 1.61 3.41 -1.26 -4.31 113.62 107.73 3hkn n SER 99 Ca -0.02 -0.09 -0.12 0.00 -0.26 0.00 0.00 58.87 58.39 3hkn n SER 99 Cb 0.44 0.51 -0.11 0.00 -0.26 0.00 0.00 64.21 64.80 3hkn n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hkn s LEU 100 N -3.97 2.36 0.62 1.04 1.43 -1.26 -5.05 118.68 113.84 3hkn s LEU 100 Ca 0.05 -0.73 0.38 0.00 -1.03 0.00 0.00 54.13 52.80 3hkn s LEU 100 Cb 0.14 -0.10 2.04 0.00 0.03 0.00 0.00 46.19 48.30 3hkn s LEU 100 CO 0.76 -0.32 2.26 0.44 0.23 0.00 0.00 176.35 179.73 3hkn h ASP 101 N 3.90 0.00 -0.09 2.29 3.32 -1.92 -2.64 116.42 121.29 3hkn h ASP 101 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3hkn h ASP 101 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3hkn h ASP 101 CO 0.50 0.02 0.00 0.61 -1.72 0.00 0.00 179.24 178.65 3hkn n GLY 102 N -0.94 -0.44 3.34 2.75 0.00 -1.26 -3.40 105.19 105.24 3hkn n GLY 102 Ca -0.02 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 3hkn n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hkn s GLN 103 N -1.89 1.11 0.00 1.61 -2.07 -1.00 -4.63 119.66 112.79 3hkn s GLN 103 Ca 0.24 -0.83 0.00 0.00 -1.82 0.00 0.00 55.36 52.96 3hkn s GLN 103 Cb 0.12 0.45 0.00 0.00 -1.09 0.00 0.00 33.01 32.49 3hkn s GLN 103 CO 0.19 -0.43 0.00 0.41 -1.32 0.00 0.00 175.29 174.14 3hkn n GLY 104 N -0.22 2.57 3.83 2.60 0.00 -0.97 -3.13 105.19 109.87 3hkn n GLY 104 Ca -0.14 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 3hkn n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hkn s SER 105 N 0.00 5.77 -0.20 1.61 1.04 -0.60 -3.40 113.70 117.92 3hkn s SER 105 Ca 0.00 1.59 -0.16 0.00 0.48 0.00 0.00 55.95 57.86 3hkn s SER 105 Cb 0.00 -2.50 -0.11 0.00 0.10 0.00 0.00 66.02 63.51 3hkn s SER 105 CO 0.00 -1.18 -0.11 -0.62 0.98 0.00 0.00 173.24 172.32 3hkn n GLU 106 N -2.72 0.53 -1.96 4.02 1.02 -1.26 -4.82 120.64 115.45 3hkn n GLU 106 Ca 0.07 0.44 -0.32 0.00 -0.02 0.00 0.00 57.16 57.33 3hkn n GLU 106 Cb 0.54 -1.63 0.01 0.00 -0.02 0.00 0.00 31.44 30.34 3hkn n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3hkn s HIS 107 N -2.44 3.20 0.14 -0.32 3.76 -1.26 -4.28 115.29 114.08 3hkn s HIS 107 Ca -0.27 1.45 0.05 0.00 -0.15 0.00 0.00 55.06 56.14 3hkn s HIS 107 Cb 0.06 -2.89 -0.04 0.00 1.11 0.00 0.00 32.58 30.82 3hkn s HIS 107 CO 0.44 -0.95 -0.12 0.95 -0.85 0.00 0.00 174.74 174.22 3hkn s THR 108 N -2.75 1.26 -0.24 1.30 -4.23 -1.19 -4.70 115.64 105.09 3hkn s THR 108 Ca 0.60 -1.96 0.02 0.00 -1.18 0.00 0.00 61.69 59.17 3hkn s THR 108 Cb -0.14 -1.75 0.05 0.00 1.34 0.00 0.00 72.50 72.00 3hkn s THR 108 CO 0.43 -0.64 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.07 3hkn s VAL 109 N -2.93 1.99 -1.49 2.29 1.01 -0.73 -0.18 120.40 120.36 3hkn s VAL 109 Ca 0.15 -1.41 -0.12 0.00 0.00 0.00 0.00 61.98 60.60 3hkn s VAL 109 Cb -0.00 -2.08 0.07 0.00 0.00 0.00 0.00 36.38 34.36 3hkn s VAL 109 CO 0.02 0.06 0.98 0.47 0.00 0.00 0.00 175.10 176.62 3hkn n ASP 110 N 4.52 -4.59 0.00 3.32 8.00 -0.14 -0.51 116.55 127.15 3hkn n ASP 110 Ca -0.15 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.60 3hkn n ASP 110 Cb 0.44 -4.03 0.00 0.00 -0.02 0.00 0.00 41.12 37.51 3hkn n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hkn n LYS 111 N -4.68 0.00 -2.40 -1.24 4.76 -1.26 -4.99 118.16 108.34 3hkn n LYS 111 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 3hkn n LYS 111 Cb 0.55 -2.72 -0.03 0.00 -1.84 0.00 0.00 35.03 30.99 3hkn n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3hkn s LYS 112 N -0.17 4.41 -0.13 1.97 2.20 0.33 -4.99 119.74 123.37 3hkn s LYS 112 Ca 0.00 1.78 -0.07 0.00 -0.36 0.00 0.00 55.97 57.33 3hkn s LYS 112 Cb 0.00 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.90 3hkn s LYS 112 CO 0.00 -0.31 0.11 0.15 -0.36 0.00 0.00 175.35 174.95 3hkn s LYS 113 N 1.28 3.50 0.43 4.03 1.02 -1.26 -1.77 119.74 126.96 3hkn s LYS 113 Ca 0.59 -0.19 0.07 0.00 0.02 0.00 0.00 55.97 56.45 3hkn s LYS 113 Cb -0.29 -3.16 0.01 0.00 -0.52 0.00 0.00 37.83 33.87 3hkn s LYS 113 CO 0.28 0.68 0.59 0.71 -0.92 0.00 0.00 175.35 176.69 3hkn s TYR 114 N -0.76 2.86 0.41 3.18 2.02 -1.26 -4.61 117.35 119.20 3hkn s TYR 114 Ca 0.13 -0.31 0.14 0.00 -0.37 0.00 0.00 57.07 56.66 3hkn s TYR 114 Cb -0.12 -2.38 0.87 0.00 -0.40 0.00 0.00 41.96 39.93 3hkn s TYR 114 CO 0.03 -0.43 1.91 0.00 -1.57 0.00 0.00 175.55 175.48 3hkn h ALA 115 N 0.59 1.52 -2.60 3.71 0.00 -1.42 -1.50 119.26 119.55 3hkn h ALA 115 Ca -0.41 -0.25 0.13 0.00 0.00 0.00 0.00 54.91 54.37 3hkn h ALA 115 Cb 1.28 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 3hkn h ALA 115 CO 0.47 0.35 0.43 0.00 0.00 0.00 0.00 179.25 180.50 3hkn s ALA 116 N -4.39 -1.42 -0.09 0.00 0.00 -1.12 -2.92 121.76 111.81 3hkn s ALA 116 Ca -0.03 -0.19 -0.05 0.00 0.00 0.00 0.00 51.96 51.69 3hkn s ALA 116 Cb 0.15 0.71 0.04 0.00 0.00 0.00 0.00 23.12 24.02 3hkn s ALA 116 CO 0.71 -1.04 0.22 -2.00 0.00 0.00 0.00 175.76 173.65 3hkn s GLU 117 N -3.01 0.18 -0.14 0.00 2.12 0.01 -1.31 118.70 116.55 3hkn s GLU 117 Ca 0.15 0.47 -0.10 0.00 0.36 0.00 0.00 54.97 55.85 3hkn s GLU 117 Cb -0.03 -0.11 -0.05 0.00 0.26 0.00 0.00 34.13 34.20 3hkn s GLU 117 CO 0.05 -0.15 0.18 -1.17 -0.54 0.00 0.00 175.26 173.63 3hkn s LEU 118 N 1.13 4.31 -0.19 2.70 2.96 0.52 -1.17 118.68 128.95 3hkn s LEU 118 Ca -0.08 0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.27 3hkn s LEU 118 Cb -0.10 -2.16 0.03 0.00 0.50 0.00 0.00 46.19 44.46 3hkn s LEU 118 CO -0.07 0.28 -0.16 -1.00 -1.32 0.00 0.00 176.35 174.08 3hkn s HIS 119 N -0.33 2.64 -0.36 5.38 3.76 -0.09 -0.88 115.29 125.41 3hkn s HIS 119 Ca 0.13 -1.63 -0.12 0.00 -0.15 0.00 0.00 55.06 53.29 3hkn s HIS 119 Cb -0.12 -1.80 0.01 0.00 1.11 0.00 0.00 32.58 31.78 3hkn s HIS 119 CO 0.03 -0.78 0.22 -0.51 -0.85 0.00 0.00 174.74 172.85 3hkn s LEU 120 N 1.33 4.62 -0.13 0.89 1.43 -0.33 -1.99 118.68 124.50 3hkn s LEU 120 Ca 0.02 -0.75 -0.17 0.00 -1.03 0.00 0.00 54.13 52.20 3hkn s LEU 120 Cb -0.14 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 3hkn s LEU 120 CO -0.11 -0.32 0.42 -0.69 0.23 0.00 0.00 176.35 175.88 3hkn s VAL 121 N 1.63 5.23 0.06 -1.59 1.01 0.14 -1.24 120.40 125.64 3hkn s VAL 121 Ca 0.04 0.82 0.05 0.00 0.00 0.00 0.00 61.98 62.90 3hkn s VAL 121 Cb -0.18 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3hkn s VAL 121 CO 0.08 0.35 -0.14 -1.00 0.00 0.00 0.00 175.10 174.38 3hkn s HIS 122 N 0.58 1.25 0.06 5.22 3.76 -0.50 -0.98 115.29 124.68 3hkn s HIS 122 Ca 0.23 -0.42 0.09 0.00 -0.15 0.00 0.00 55.06 54.81 3hkn s HIS 122 Cb -0.14 -0.72 -0.03 0.00 1.11 0.00 0.00 32.58 32.80 3hkn s HIS 122 CO 0.08 0.06 -0.24 1.67 -0.85 0.00 0.00 174.74 175.45 3hkn s TRP 123 N -1.10 2.13 -0.17 1.40 1.48 -0.29 -1.26 118.94 121.12 3hkn s TRP 123 Ca -0.00 -0.40 -0.29 0.00 -1.06 0.00 0.00 56.10 54.35 3hkn s TRP 123 Cb -0.09 -1.25 -0.04 0.00 -1.16 0.00 0.00 33.47 30.93 3hkn s TRP 123 CO 0.02 0.16 1.79 1.21 -4.06 0.00 0.00 176.95 176.06 3hkn s ASN 124 N -1.40 6.23 0.64 -2.66 3.84 0.65 -0.98 114.94 121.26 3hkn s ASN 124 Ca 0.10 1.86 0.39 0.00 0.21 0.00 0.00 52.86 55.42 3hkn s ASN 124 Cb -0.10 -2.53 2.19 0.00 -0.55 0.00 0.00 41.25 40.26 3hkn s ASN 124 CO 0.03 -1.35 2.33 0.71 -2.79 0.00 0.00 177.10 176.03 3hkn h THR 125 N 6.23 0.21 0.00 -5.21 1.35 -1.56 -2.24 112.91 111.69 3hkn h THR 125 Ca -0.38 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 3hkn h THR 125 Cb 1.18 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 3hkn h THR 125 CO 0.98 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.54 3hkn n LYS 126 N -3.39 0.15 -0.27 4.72 2.85 -1.26 -2.15 118.16 118.81 3hkn n LYS 126 Ca -0.03 0.58 0.12 0.00 -1.05 0.00 0.00 58.31 57.92 3hkn n LYS 126 Cb 0.08 -1.92 0.27 0.00 -0.65 0.00 0.00 35.03 32.81 3hkn n LYS 126 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3hkn n TYR 127 N -2.22 0.72 0.00 5.58 4.01 -0.84 -5.00 117.16 119.40 3hkn n TYR 127 Ca -0.00 -0.36 0.00 0.00 -0.16 0.00 0.00 57.90 57.38 3hkn n TYR 127 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 3hkn n TYR 127 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hkn n GLY 128 N 1.56 1.52 3.39 2.72 0.00 -0.91 -4.51 105.19 108.96 3hkn n GLY 128 Ca 0.22 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 3hkn n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3hkn s ASP 129 N 0.00 -0.02 0.20 1.61 1.47 -1.26 -5.05 116.67 113.61 3hkn s ASP 129 Ca 0.00 -0.82 -0.10 0.00 1.18 0.00 0.00 52.55 52.80 3hkn s ASP 129 Cb 0.00 0.48 0.22 0.00 -0.34 0.00 0.00 42.92 43.28 3hkn s ASP 129 CO 0.00 -0.95 1.78 0.15 0.68 0.00 0.00 175.17 176.83 3hkn h PHE 130 N 2.45 0.53 -0.88 2.11 3.57 -1.94 -1.98 116.94 120.80 3hkn h PHE 130 Ca -0.31 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.29 3hkn h PHE 130 Cb 1.24 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.77 3hkn h PHE 130 CO 0.39 0.22 0.57 0.78 -2.23 0.00 0.00 178.31 178.04 3hkn h GLY 131 N 0.54 1.26 1.38 2.40 0.00 -1.97 -1.97 103.07 104.71 3hkn h GLY 131 Ca 0.28 -0.39 -0.24 0.00 0.00 0.00 0.00 47.33 46.98 3hkn h GLY 131 CO -0.21 0.26 -0.98 0.50 0.00 0.00 0.00 176.54 176.11 3hkn h LYS 132 N 0.95 0.56 -0.94 4.80 1.79 -1.74 -3.32 116.57 118.67 3hkn h LYS 132 Ca 0.39 -0.59 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 3hkn h LYS 132 Cb 0.26 0.17 -0.05 0.00 -1.58 0.00 0.00 32.23 31.03 3hkn h LYS 132 CO -0.15 1.21 0.59 0.00 -1.08 0.00 0.00 179.45 180.03 3hkn h ALA 133 N 0.59 1.27 0.00 3.86 0.00 -0.71 -2.26 119.26 122.01 3hkn h ALA 133 Ca -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3hkn h ALA 133 Cb 1.62 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3hkn h ALA 133 CO 0.18 0.65 0.00 1.33 0.00 0.00 0.00 179.25 181.41 3hkn n VAL 134 N -4.37 1.18 -0.07 0.00 0.24 -0.80 -1.36 118.33 113.14 3hkn n VAL 134 Ca 0.11 0.29 0.10 0.00 -2.04 0.00 0.00 64.34 62.80 3hkn n VAL 134 Cb 0.04 -1.11 0.29 0.00 -1.47 0.00 0.00 33.84 31.58 3hkn n VAL 134 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hkn n GLN 135 N -1.46 2.61 -4.80 7.34 6.02 -0.85 -4.66 117.38 121.58 3hkn n GLN 135 Ca 0.03 -2.33 -0.29 0.00 -0.01 0.00 0.00 57.00 54.40 3hkn n GLN 135 Cb 0.12 -1.54 -0.14 0.00 1.02 0.00 0.00 30.24 29.69 3hkn n GLN 135 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3hkn s GLN 136 N -1.25 1.69 0.58 -1.09 -1.52 -0.46 -5.03 119.66 112.58 3hkn s GLN 136 Ca 0.43 -1.12 0.29 0.00 -1.95 0.00 0.00 55.36 53.00 3hkn s GLN 136 Cb 0.23 -1.90 1.76 0.00 -0.22 0.00 0.00 33.01 32.88 3hkn s GLN 136 CO 0.28 0.49 2.24 -1.00 -0.25 0.00 0.00 175.29 177.04 3hkn h PRO 137 N 4.67 0.00 -0.50 2.91 0.13 -1.85 -2.11 132.00 135.24 3hkn h PRO 137 Ca -0.47 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.29 3hkn h PRO 137 Cb 1.15 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.97 3hkn h PRO 137 CO 0.43 0.01 -0.76 -0.40 -0.23 0.00 0.00 178.00 177.05 3hkn n ASP 138 N -3.88 3.72 0.08 1.44 5.75 -1.26 -4.17 116.55 118.22 3hkn n ASP 138 Ca -0.03 -3.62 -0.14 0.00 -0.01 0.00 0.00 54.79 50.99 3hkn n ASP 138 Cb 0.09 -0.40 -0.07 0.00 -1.03 0.00 0.00 41.12 39.72 3hkn n ASP 138 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3hkn h GLY 139 N 1.86 0.41 -3.00 6.12 0.00 -1.20 -3.43 103.07 103.83 3hkn h GLY 139 Ca 0.22 -0.78 -0.51 0.00 0.00 0.00 0.00 47.33 46.26 3hkn h GLY 139 CO 0.50 0.69 -0.77 1.08 0.00 0.00 0.00 176.54 178.04 3hkn s LEU 140 N -7.56 2.48 -0.09 3.11 1.43 0.48 -0.26 118.68 118.28 3hkn s LEU 140 Ca -0.05 -0.92 -0.01 0.00 -1.03 0.00 0.00 54.13 52.12 3hkn s LEU 140 Cb 0.08 -0.80 0.03 0.00 0.03 0.00 0.00 46.19 45.53 3hkn s LEU 140 CO 0.87 -0.07 -0.01 0.00 0.23 0.00 0.00 176.35 177.37 3hkn s ALA 141 N -2.35 0.82 -0.16 4.21 0.00 -0.39 -0.90 121.76 122.99 3hkn s ALA 141 Ca 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 51.96 51.90 3hkn s ALA 141 Cb -0.04 -0.80 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 3hkn s ALA 141 CO 0.07 -0.50 -0.12 0.08 0.00 0.00 0.00 175.76 175.29 3hkn s VAL 142 N 1.92 3.00 -0.29 0.00 1.01 -0.93 -1.41 120.40 123.71 3hkn s VAL 142 Ca 0.05 -0.66 -0.18 0.00 0.00 0.00 0.00 61.98 61.19 3hkn s VAL 142 Cb -0.13 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 3hkn s VAL 142 CO -0.06 0.50 0.50 -0.22 0.00 0.00 0.00 175.10 175.83 3hkn s LEU 143 N 0.72 4.15 -0.15 3.92 2.96 -0.37 -1.63 118.68 128.27 3hkn s LEU 143 Ca -0.06 0.30 -0.06 0.00 -0.22 0.00 0.00 54.13 54.10 3hkn s LEU 143 Cb -0.15 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 3hkn s LEU 143 CO 0.02 -0.35 0.03 -0.83 -1.32 0.00 0.00 176.35 173.90 3hkn s GLY 144 N 1.64 1.87 -0.09 7.98 0.00 0.53 -1.19 107.32 118.07 3hkn s GLY 144 Ca 0.20 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 44.16 3hkn s GLY 144 CO 0.11 -0.11 -0.07 -0.42 0.00 0.00 0.00 173.10 172.60 3hkn s ILE 145 N 0.05 0.91 0.44 0.90 1.09 -0.06 -0.96 121.20 123.56 3hkn s ILE 145 Ca 0.04 -0.26 -0.22 0.00 -1.10 0.00 0.00 60.65 59.11 3hkn s ILE 145 Cb -0.12 -0.91 -0.10 0.00 -1.06 0.00 0.00 42.46 40.27 3hkn s ILE 145 CO 0.01 0.33 1.00 -0.36 -0.10 0.00 0.00 174.94 175.83 3hkn s PHE 146 N 1.36 3.20 -0.08 3.97 0.08 -1.26 -0.36 117.98 124.89 3hkn s PHE 146 Ca -0.02 1.62 0.04 0.00 0.12 0.00 0.00 56.93 58.69 3hkn s PHE 146 Cb -0.14 -2.99 -0.00 0.00 -0.57 0.00 0.00 43.02 39.32 3hkn s PHE 146 CO -0.04 -0.47 -0.23 -0.51 -0.10 0.00 0.00 175.22 173.88 3hkn s LEU 147 N -3.12 2.03 0.13 -0.37 1.02 -0.43 -0.97 118.68 116.97 3hkn s LEU 147 Ca 0.63 -0.50 0.10 0.00 0.02 0.00 0.00 54.13 54.37 3hkn s LEU 147 Cb -0.15 -1.31 -0.04 0.00 0.02 0.00 0.00 46.19 44.71 3hkn s LEU 147 CO 0.19 0.17 -0.25 -1.59 0.02 0.00 0.00 176.35 174.89 3hkn s LYS 148 N 0.22 1.34 -0.21 1.70 -2.85 -0.64 -2.01 119.74 117.30 3hkn s LYS 148 Ca -0.13 -1.33 -0.27 0.00 -1.00 0.00 0.00 55.97 53.23 3hkn s LYS 148 Cb -0.16 -1.74 -0.00 0.00 -2.06 0.00 0.00 37.83 33.87 3hkn s LYS 148 CO 0.07 0.40 0.92 0.08 0.10 0.00 0.00 175.35 176.92 3hkn s VAL 149 N -1.23 4.78 0.00 1.79 1.01 -1.26 -1.34 120.40 124.15 3hkn s VAL 149 Ca 0.13 1.79 0.00 0.00 0.00 0.00 0.00 61.98 63.91 3hkn s VAL 149 Cb -0.09 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.08 3hkn s VAL 149 CO 0.06 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.69 3hkn n GLY 150 N 3.47 1.37 3.86 4.51 0.00 0.54 -4.89 105.19 114.06 3hkn n GLY 150 Ca 0.08 0.36 -0.31 0.00 0.00 0.00 0.00 46.02 46.15 3hkn n GLY 150 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hkn s SER 151 N 2.00 6.58 0.63 1.61 1.04 -1.26 -4.08 113.70 120.23 3hkn s SER 151 Ca 0.00 1.32 -0.18 0.00 0.48 0.00 0.00 55.95 57.58 3hkn s SER 151 Cb 0.00 -2.40 -0.01 0.00 0.10 0.00 0.00 66.02 63.70 3hkn s SER 151 CO 0.00 -0.47 1.21 0.00 0.98 0.00 0.00 173.24 174.96 3hkn s ALA 152 N -2.46 2.43 -0.44 5.32 0.00 -1.26 -2.36 121.76 123.00 3hkn s ALA 152 Ca 0.55 0.96 -0.09 0.00 0.00 0.00 0.00 51.96 53.37 3hkn s ALA 152 Cb -0.10 -3.45 0.09 0.00 0.00 0.00 0.00 23.12 19.66 3hkn s ALA 152 CO 0.30 -1.36 0.29 0.21 0.00 0.00 0.00 175.76 175.20 3hkn s LYS 153 N -3.53 2.58 0.25 0.00 2.47 -1.21 -4.80 119.74 115.50 3hkn s LYS 153 Ca 0.76 -1.55 -0.04 0.00 -1.56 0.00 0.00 55.97 53.58 3hkn s LYS 153 Cb -0.30 -3.83 0.50 0.00 -1.46 0.00 0.00 37.83 32.74 3hkn s LYS 153 CO 0.37 -1.03 1.65 -1.35 0.16 0.00 0.00 175.35 175.15 3hkn h PRO 154 N 8.43 0.17 0.00 4.03 0.11 -1.91 0.65 132.00 143.48 3hkn h PRO 154 Ca -0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3hkn h PRO 154 Cb 1.08 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3hkn h PRO 154 CO 0.79 0.11 0.00 0.41 -0.21 0.00 0.00 178.00 179.10 3hkn n GLY 155 N -1.39 -0.87 0.02 -0.55 0.00 -1.25 -2.41 105.19 98.73 3hkn n GLY 155 Ca 0.15 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.30 3hkn n GLY 155 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hkn n LEU 156 N -1.71 0.30 -0.02 0.99 7.94 0.21 -4.44 117.00 120.28 3hkn n LEU 156 Ca 0.02 -0.06 0.04 0.00 -1.11 0.00 0.00 56.01 54.90 3hkn n LEU 156 Cb 0.11 -0.01 0.42 0.00 0.53 0.00 0.00 43.42 44.47 3hkn n LEU 156 CO 0.10 0.03 1.17 -0.61 -1.11 0.00 0.00 177.39 176.97 3hkn h GLN 157 N 0.00 0.55 -0.54 1.96 5.75 -1.35 -1.28 115.11 120.21 3hkn h GLN 157 Ca 0.00 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 3hkn h GLN 157 Cb 0.89 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.29 3hkn h GLN 157 CO 0.00 0.36 0.28 -0.22 -2.65 0.00 0.00 178.83 176.60 3hkn h LYS 158 N 0.57 0.74 -0.11 1.69 3.64 -1.78 0.19 116.57 121.51 3hkn h LYS 158 Ca 0.17 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 3hkn h LYS 158 Cb -0.02 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3hkn h LYS 158 CO -0.04 0.56 -0.30 0.28 -2.27 0.00 0.00 179.45 177.68 3hkn h VAL 159 N 0.75 1.39 -0.68 2.00 2.07 -1.55 -3.20 116.25 117.02 3hkn h VAL 159 Ca 0.19 -1.62 0.01 0.00 0.82 0.00 0.00 66.70 66.10 3hkn h VAL 159 Cb 0.05 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 3hkn h VAL 159 CO -0.03 0.47 0.45 0.58 0.02 0.00 0.00 177.57 179.07 3hkn h VAL 160 N -0.03 1.18 0.00 2.57 2.07 -0.71 -2.63 116.25 118.69 3hkn h VAL 160 Ca -0.01 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 3hkn h VAL 160 Cb 0.92 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3hkn h VAL 160 CO 0.07 0.17 -0.20 0.44 0.02 0.00 0.00 177.57 178.07 3hkn h ASP 161 N 0.92 0.00 0.12 0.57 3.32 -0.65 -3.09 116.42 117.62 3hkn h ASP 161 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3hkn h ASP 161 Cb -0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3hkn h ASP 161 CO -0.05 0.20 -0.56 0.55 -1.72 0.00 0.00 179.24 177.66 3hkn n VAL 162 N -3.88 0.00 0.19 -1.35 3.14 -1.00 -4.41 118.33 111.02 3hkn n VAL 162 Ca -0.02 -0.13 0.14 0.00 -2.96 0.00 0.00 64.34 61.37 3hkn n VAL 162 Cb 0.29 0.85 0.74 0.00 -1.06 0.00 0.00 33.84 34.65 3hkn n VAL 162 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3hkn h LEU 163 N 1.20 0.00 -1.96 6.55 3.38 -1.47 -1.16 115.31 121.86 3hkn h LEU 163 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3hkn h LEU 163 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3hkn h LEU 163 CO 0.00 0.00 -0.08 0.44 0.09 0.00 0.00 178.44 178.89 3hkn h ASP 164 N 0.00 0.00 0.51 -0.43 3.32 -1.81 -2.46 116.42 115.56 3hkn h ASP 164 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3hkn h ASP 164 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3hkn h ASP 164 CO -0.00 0.08 -0.28 -1.54 -1.72 0.00 0.00 179.24 175.79 3hkn n SER 165 N -3.43 0.50 -2.57 6.45 3.41 -0.44 -4.01 113.62 113.53 3hkn n SER 165 Ca -0.01 -0.31 -0.11 0.00 -0.26 0.00 0.00 58.87 58.18 3hkn n SER 165 Cb 0.23 0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.24 3hkn n SER 165 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3hkn n ILE 166 N -1.22 1.62 -0.36 -1.33 -5.35 -0.93 -4.66 119.36 107.13 3hkn n ILE 166 Ca 0.09 -3.51 0.01 0.00 -0.27 0.00 0.00 62.75 59.07 3hkn n ILE 166 Cb 0.32 0.26 0.16 0.00 -1.74 0.00 0.00 39.64 38.64 3hkn n ILE 166 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3hkn h LYS 167 N 2.61 1.12 -6.20 6.28 3.64 -1.67 -3.43 116.57 118.93 3hkn h LYS 167 Ca 0.04 -0.07 -0.54 0.00 -1.27 0.00 0.00 60.65 58.81 3hkn h LYS 167 Cb 1.26 -0.25 -0.08 0.00 -0.41 0.00 0.00 32.23 32.74 3hkn h LYS 167 CO 0.48 0.74 -0.62 0.95 -2.27 0.00 0.00 179.45 178.74 3hkn s THR 168 N -6.06 3.69 0.15 1.00 -4.23 -1.26 -0.39 115.64 108.54 3hkn s THR 168 Ca -0.13 -1.79 -0.34 0.00 -1.18 0.00 0.00 61.69 58.25 3hkn s THR 168 Cb 0.19 -2.98 -0.14 0.00 1.34 0.00 0.00 72.50 70.91 3hkn s THR 168 CO 0.81 -0.37 1.49 1.17 -0.54 0.00 0.00 174.62 177.18 3hkn n LYS 169 N -0.97 1.88 0.00 3.99 4.81 -0.48 -2.13 118.16 125.27 3hkn n LYS 169 Ca -0.07 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 3hkn n LYS 169 Cb 0.59 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.24 3hkn n LYS 169 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hkn n GLY 170 N 3.03 3.41 3.77 3.14 0.00 0.34 -4.46 105.19 114.42 3hkn n GLY 170 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3hkn n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkn s LYS 171 N -0.83 4.40 0.05 1.61 -0.14 -0.91 -4.85 119.74 119.08 3hkn s LYS 171 Ca 0.00 1.72 -0.05 0.00 -1.36 0.00 0.00 55.97 56.28 3hkn s LYS 171 Cb 0.00 -2.91 -0.02 0.00 -1.68 0.00 0.00 37.83 33.23 3hkn s LYS 171 CO 0.00 0.02 0.08 -1.54 -0.76 0.00 0.00 175.35 173.15 3hkn s SER 172 N -1.13 0.25 0.02 2.83 1.04 -1.26 -1.03 113.70 114.41 3hkn s SER 172 Ca 0.50 -0.67 -0.05 0.00 0.48 0.00 0.00 55.95 56.21 3hkn s SER 172 Cb -0.29 0.23 -0.01 0.00 0.10 0.00 0.00 66.02 66.06 3hkn s SER 172 CO 0.36 -0.56 0.10 0.00 0.98 0.00 0.00 173.24 174.12 3hkn s ALA 173 N -3.11 -0.16 0.42 5.32 0.00 -0.26 -4.94 121.76 119.03 3hkn s ALA 173 Ca -0.01 -0.36 -0.26 0.00 0.00 0.00 0.00 51.96 51.33 3hkn s ALA 173 Cb 0.02 0.17 -0.09 0.00 0.00 0.00 0.00 23.12 23.22 3hkn s ALA 173 CO -0.07 -0.24 1.37 -0.51 0.00 0.00 0.00 175.76 176.31 3hkn s ASP 174 N -1.67 6.17 -0.43 0.00 1.01 -1.26 -1.41 116.67 119.08 3hkn s ASP 174 Ca -0.11 2.80 0.08 0.00 0.71 0.00 0.00 52.55 56.02 3hkn s ASP 174 Cb -0.06 -2.65 0.28 0.00 1.01 0.00 0.00 42.92 41.50 3hkn s ASP 174 CO -0.01 -0.96 0.80 0.33 0.21 0.00 0.00 175.17 175.54 3hkn n PHE 175 N 0.07 -1.75 -3.01 4.23 7.35 -0.66 -4.73 117.46 118.96 3hkn n PHE 175 Ca 0.04 -2.73 -0.24 0.00 -0.76 0.00 0.00 57.45 53.76 3hkn n PHE 175 Cb 0.42 0.66 0.00 0.00 0.35 0.00 0.00 39.48 40.92 3hkn n PHE 175 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3hkn s THR 176 N -0.50 4.45 -1.52 -2.13 -4.23 -1.25 -3.23 115.64 107.23 3hkn s THR 176 Ca 0.32 -0.35 -0.06 0.00 -1.18 0.00 0.00 61.69 60.43 3hkn s THR 176 Cb 0.25 -3.65 0.01 0.00 1.34 0.00 0.00 72.50 70.45 3hkn s THR 176 CO -0.14 -0.49 0.70 0.59 -0.54 0.00 0.00 174.62 174.75 3hkn n ASN 177 N -2.05 -6.06 -4.77 3.99 4.13 -1.26 -4.96 115.26 104.28 3hkn n ASN 177 Ca -0.00 -0.34 -0.36 0.00 1.68 0.00 0.00 54.58 55.56 3hkn n ASN 177 Cb 0.57 -4.88 -0.07 0.00 -1.54 0.00 0.00 39.78 33.85 3hkn n ASN 177 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3hkn s PHE 178 N -3.20 3.47 -0.44 3.10 5.36 -1.26 -5.03 117.98 119.98 3hkn s PHE 178 Ca 0.36 0.42 -0.15 0.00 -0.96 0.00 0.00 56.93 56.60 3hkn s PHE 178 Cb -0.16 -2.13 0.05 0.00 -0.34 0.00 0.00 43.02 40.43 3hkn s PHE 178 CO 0.45 0.40 0.34 0.34 -1.46 0.00 0.00 175.22 175.28 3hkn s ASP 179 N 0.02 6.11 0.48 6.13 -1.08 -1.26 -4.45 116.67 122.62 3hkn s ASP 179 Ca 0.11 -1.11 0.33 0.00 -0.52 0.00 0.00 52.55 51.35 3hkn s ASP 179 Cb -0.12 -2.16 1.62 0.00 -1.46 0.00 0.00 42.92 40.80 3hkn s ASP 179 CO 0.00 -0.54 1.99 1.55 0.52 0.00 0.00 175.17 178.69 3hkn h PRO 180 N 8.68 0.00 0.00 4.34 0.13 -1.95 -2.36 132.00 140.83 3hkn h PRO 180 Ca -0.28 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3hkn h PRO 180 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 3hkn h PRO 180 CO 0.80 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 178.56 3hkn h ARG 181 N 0.00 0.00 0.00 0.86 3.08 -1.92 -1.30 114.38 115.10 3hkn h ARG 181 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hkn h ARG 181 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3hkn h ARG 181 CO 0.00 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 3hkn n GLY 182 N -1.09 -0.89 0.63 0.04 0.00 -0.89 -2.91 105.19 100.09 3hkn n GLY 182 Ca -0.03 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 45.95 3hkn n GLY 182 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hkn n LEU 183 N -1.13 2.27 -4.83 0.99 4.77 -0.49 -3.96 117.00 114.62 3hkn n LEU 183 Ca 0.15 -0.95 -0.36 0.00 -0.03 0.00 0.00 56.01 54.82 3hkn n LEU 183 Cb 0.13 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 3hkn n LEU 183 CO 0.15 0.41 0.30 -0.76 -1.33 0.00 0.00 177.39 176.16 3hkn s LEU 184 N -1.60 4.39 1.06 2.23 1.43 -1.14 -4.95 118.68 120.09 3hkn s LEU 184 Ca 0.19 1.23 -0.17 0.00 -1.03 0.00 0.00 54.13 54.35 3hkn s LEU 184 Cb 0.14 -3.29 0.24 0.00 0.03 0.00 0.00 46.19 43.31 3hkn s LEU 184 CO 0.26 0.12 1.25 -2.16 0.23 0.00 0.00 176.35 176.06 3hkn s PRO 185 N -1.77 -0.09 0.03 1.29 0.04 -1.26 -4.98 135.00 128.25 3hkn s PRO 185 Ca 0.37 -0.32 -0.23 0.00 0.04 0.00 0.00 61.00 60.87 3hkn s PRO 185 Cb -0.17 -1.75 -0.16 0.00 0.04 0.00 0.00 34.50 32.46 3hkn s PRO 185 CO 0.20 -2.92 1.41 0.93 0.04 0.00 0.00 177.00 176.66 3hkn h GLU 186 N -2.01 0.14 -6.34 4.56 5.08 -1.92 -3.44 114.58 110.65 3hkn h GLU 186 Ca -0.44 -0.05 -0.56 0.00 -1.00 0.00 0.00 59.36 57.31 3hkn h GLU 186 Cb 1.25 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.46 3hkn h GLU 186 CO 0.35 0.46 -0.07 0.45 -1.00 0.00 0.00 179.01 179.20 3hkn s SER 187 N -5.71 6.83 -0.11 1.42 0.15 -1.26 -4.99 113.70 110.03 3hkn s SER 187 Ca -0.15 1.09 0.15 0.00 0.70 0.00 0.00 55.95 57.75 3hkn s SER 187 Cb 0.04 -2.29 0.55 0.00 -1.71 0.00 0.00 66.02 62.60 3hkn s SER 187 CO 0.70 0.10 1.46 0.18 1.20 0.00 0.00 173.24 176.87 3hkn n LEU 188 N 0.79 4.01 -4.77 3.45 4.77 -1.26 -4.73 117.00 119.26 3hkn n LEU 188 Ca -0.05 -2.57 -0.40 0.00 -0.03 0.00 0.00 56.01 52.96 3hkn n LEU 188 Cb 0.52 -0.48 0.02 0.00 -2.33 0.00 0.00 43.42 41.14 3hkn n LEU 188 CO 0.42 0.73 1.06 -1.81 -1.33 0.00 0.00 177.39 176.46 3hkn s ASP 189 N -1.31 5.88 0.27 -1.43 1.01 -1.26 -4.91 116.67 114.93 3hkn s ASP 189 Ca 0.40 2.90 -0.12 0.00 0.71 0.00 0.00 52.55 56.45 3hkn s ASP 189 Cb 0.28 -2.65 -0.00 0.00 1.01 0.00 0.00 42.92 41.56 3hkn s ASP 189 CO 0.16 -1.17 0.50 -0.72 0.21 0.00 0.00 175.17 174.15 3hkn s TYR 190 N -1.21 0.43 0.13 4.23 -0.85 -1.26 -1.30 117.35 117.51 3hkn s TYR 190 Ca 0.61 -0.79 0.10 0.00 -0.52 0.00 0.00 57.07 56.47 3hkn s TYR 190 Cb -0.43 0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.06 3hkn s TYR 190 CO 0.56 -1.04 -0.23 -1.58 -1.52 0.00 0.00 175.55 171.73 3hkn s TRP 191 N -3.81 2.40 -0.04 -3.49 0.51 -0.17 -0.79 118.94 113.55 3hkn s TRP 191 Ca 0.23 -0.33 -0.07 0.00 -2.12 0.00 0.00 56.10 53.81 3hkn s TRP 191 Cb -0.01 -1.28 0.01 0.00 -0.81 0.00 0.00 33.47 31.38 3hkn s TRP 191 CO 0.10 0.36 0.17 -0.08 -0.51 0.00 0.00 176.95 177.00 3hkn s THR 192 N -1.11 0.03 0.15 2.01 -1.32 0.42 -0.91 115.64 114.92 3hkn s THR 192 Ca 0.16 -0.29 -0.23 0.00 -1.21 0.00 0.00 61.69 60.12 3hkn s THR 192 Cb -0.10 -0.34 0.07 0.00 -1.51 0.00 0.00 72.50 70.61 3hkn s THR 192 CO 0.08 -0.16 0.59 -0.72 -2.21 0.00 0.00 174.62 172.20 3hkn s TYR 193 N -0.54 -0.52 -0.09 9.09 1.13 -1.02 -1.31 117.35 124.08 3hkn s TYR 193 Ca -0.06 0.33 -0.25 0.00 -1.41 0.00 0.00 57.07 55.68 3hkn s TYR 193 Cb -0.04 0.54 -0.03 0.00 -1.10 0.00 0.00 41.96 41.33 3hkn s TYR 193 CO 0.01 -0.83 0.77 -1.25 -2.51 0.00 0.00 175.55 171.74 3hkn s PRO 194 N -3.67 4.41 0.00 -3.49 0.04 -1.26 -1.25 135.00 129.77 3hkn s PRO 194 Ca 0.01 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.02 3hkn s PRO 194 Cb -0.01 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 31.04 3hkn s PRO 194 CO -0.12 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.26 3hkn n GLY 195 N 3.21 5.12 3.29 0.56 0.00 0.99 -4.83 105.19 113.52 3hkn n GLY 195 Ca 0.01 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 44.91 3hkn n GLY 195 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hkn s SER 196 N 1.20 1.69 0.51 1.61 1.04 -1.08 -2.52 113.70 116.15 3hkn s SER 196 Ca 0.00 -1.75 -0.20 0.00 0.48 0.00 0.00 55.95 54.48 3hkn s SER 196 Cb 0.00 0.55 -0.07 0.00 0.10 0.00 0.00 66.02 66.60 3hkn s SER 196 CO 0.00 -1.06 1.10 -0.76 0.98 0.00 0.00 173.24 173.50 3hkn s LEU 197 N -3.38 3.81 0.00 2.42 1.43 -0.40 -4.46 118.68 118.10 3hkn s LEU 197 Ca 0.40 2.09 0.21 0.00 -1.03 0.00 0.00 54.13 55.80 3hkn s LEU 197 Cb 0.02 -4.54 0.55 0.00 0.03 0.00 0.00 46.19 42.25 3hkn s LEU 197 CO 0.27 -1.02 1.45 0.35 0.23 0.00 0.00 176.35 177.63 3hkn n THR 198 N -1.10 0.42 -4.16 5.49 -2.24 -1.26 -4.47 114.28 106.96 3hkn n THR 198 Ca 0.10 -0.58 -0.13 0.00 -2.27 0.00 0.00 64.05 61.17 3hkn n THR 198 Cb 0.51 0.64 -0.11 0.00 -2.10 0.00 0.00 70.33 69.27 3hkn n THR 198 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3hkn s THR 199 N -1.58 0.82 0.44 4.28 -4.23 -1.26 -4.69 115.64 109.42 3hkn s THR 199 Ca 0.35 -1.63 -0.23 0.00 -1.18 0.00 0.00 61.69 59.01 3hkn s THR 199 Cb 0.20 -1.32 -0.10 0.00 1.34 0.00 0.00 72.50 72.61 3hkn s THR 199 CO 0.28 -0.61 0.88 -2.65 -0.54 0.00 0.00 174.62 171.98 3hkn n PRO 200 N 0.55 1.08 0.00 3.99 -0.02 -1.26 -0.38 135.00 138.96 3hkn n PRO 200 Ca -0.16 0.39 0.04 0.00 -2.02 0.00 0.00 63.50 61.75 3hkn n PRO 200 Cb 0.58 -1.91 0.22 0.00 -0.02 0.00 0.00 33.50 32.37 3hkn n PRO 200 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3hkn n PRO 201 N 0.14 0.69 -2.59 0.52 -0.04 -1.26 -4.99 135.00 127.47 3hkn n PRO 201 Ca 0.10 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.40 3hkn n PRO 201 Cb 0.40 -1.16 -0.00 0.00 -0.04 0.00 0.00 33.50 32.69 3hkn n PRO 201 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hkn n LEU 202 N -0.66 -1.56 -4.75 1.53 4.77 0.49 -4.90 117.00 111.91 3hkn n LEU 202 Ca 0.05 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.64 3hkn n LEU 202 Cb 0.03 -2.44 -0.01 0.00 -2.33 0.00 0.00 43.42 38.67 3hkn n LEU 202 CO 0.04 -0.08 1.10 0.18 -1.33 0.00 0.00 177.39 177.30 3hkn n LEU 203 N -3.09 4.33 -4.01 2.23 4.77 -1.26 -4.35 117.00 115.62 3hkn n LEU 203 Ca -0.15 1.20 -0.43 0.00 -0.03 0.00 0.00 56.01 56.60 3hkn n LEU 203 Cb 0.62 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 3hkn n LEU 203 CO 0.27 -0.02 1.71 -0.62 -1.33 0.00 0.00 177.39 177.40 3hkn n GLU 204 N 0.89 3.69 -0.18 3.23 1.02 -1.26 -1.27 120.64 126.75 3hkn n GLU 204 Ca 0.04 -3.75 0.04 0.00 -0.02 0.00 0.00 57.16 53.46 3hkn n GLU 204 Cb 0.37 -2.88 0.05 0.00 -0.02 0.00 0.00 31.44 28.97 3hkn n GLU 204 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hkn s VAL 206 N -1.25 3.17 -0.39 0.00 1.01 -1.05 -0.39 120.40 121.50 3hkn s VAL 206 Ca 0.12 -0.65 -0.14 0.00 0.00 0.00 0.00 61.98 61.31 3hkn s VAL 206 Cb 0.11 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 34.21 3hkn s VAL 206 CO 0.01 0.55 0.27 -0.89 0.00 0.00 0.00 175.10 175.04 3hkn s THR 207 N -0.17 5.08 0.05 3.92 2.01 -0.08 -0.00 115.64 126.45 3hkn s THR 207 Ca 0.00 -0.66 -0.24 0.00 0.31 0.00 0.00 61.69 61.10 3hkn s THR 207 Cb -0.13 -3.81 -0.06 0.00 0.01 0.00 0.00 72.50 68.51 3hkn s THR 207 CO 0.03 -0.25 0.75 0.26 -0.69 0.00 0.00 174.62 174.71 3hkn s TRP 208 N 1.65 3.74 -0.27 4.92 0.52 -0.38 -2.18 118.94 126.94 3hkn s TRP 208 Ca 0.04 1.45 0.00 0.00 0.02 0.00 0.00 56.10 57.61 3hkn s TRP 208 Cb -0.19 -2.79 0.08 0.00 -1.15 0.00 0.00 33.47 29.42 3hkn s TRP 208 CO 0.09 0.30 0.04 0.42 0.02 0.00 0.00 176.95 177.82 3hkn s ILE 209 N -0.15 1.21 -0.24 2.03 -1.09 -0.65 -2.44 121.20 119.88 3hkn s ILE 209 Ca 0.37 -1.35 -0.06 0.00 -2.23 0.00 0.00 60.65 57.38 3hkn s ILE 209 Cb -0.20 -1.75 -0.02 0.00 -1.58 0.00 0.00 42.46 38.90 3hkn s ILE 209 CO 0.22 -0.42 0.04 -0.69 -1.23 0.00 0.00 174.94 172.86 3hkn s VAL 210 N 1.49 4.09 0.30 2.92 1.01 -0.09 -0.34 120.40 129.79 3hkn s VAL 210 Ca 0.04 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 3hkn s VAL 210 Cb -0.18 -2.90 -0.10 0.00 0.00 0.00 0.00 36.38 33.20 3hkn s VAL 210 CO -0.14 0.37 1.18 -0.76 0.00 0.00 0.00 175.10 175.74 3hkn s LEU 211 N 1.52 4.49 0.08 3.92 1.43 -0.13 -1.00 118.68 128.99 3hkn s LEU 211 Ca 0.06 2.43 -0.18 0.00 -1.03 0.00 0.00 54.13 55.42 3hkn s LEU 211 Cb -0.15 -3.65 -0.09 0.00 0.03 0.00 0.00 46.19 42.33 3hkn s LEU 211 CO 0.02 -0.31 1.46 0.50 0.23 0.00 0.00 176.35 178.24 3hkn h LYS 212 N 3.60 0.52 -5.71 1.70 3.64 -1.54 -3.43 116.57 115.35 3hkn h LYS 212 Ca -0.48 -0.22 -0.60 0.00 -1.27 0.00 0.00 60.65 58.09 3hkn h LYS 212 Cb 1.22 -0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.92 3hkn h LYS 212 CO 0.66 0.76 0.32 -2.00 -2.27 0.00 0.00 179.45 176.92 3hkn s GLU 213 N -4.65 4.18 0.71 1.90 2.12 -1.26 -5.01 118.70 116.69 3hkn s GLU 213 Ca -0.13 0.79 -0.11 0.00 0.36 0.00 0.00 54.97 55.87 3hkn s GLU 213 Cb 0.07 -3.62 0.02 0.00 0.26 0.00 0.00 34.13 30.86 3hkn s GLU 213 CO 0.77 -0.42 1.09 -1.25 -0.54 0.00 0.00 175.26 174.92 3hkn s PRO 214 N 2.49 2.83 0.20 4.30 0.04 -1.26 -4.68 135.00 138.92 3hkn s PRO 214 Ca 0.32 0.50 0.06 0.00 0.04 0.00 0.00 61.00 61.92 3hkn s PRO 214 Cb -0.16 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 3hkn s PRO 214 CO 0.09 -1.07 0.15 0.96 0.04 0.00 0.00 177.00 177.17 3hkn s ILE 215 N -3.33 4.43 -0.12 0.56 -5.25 -0.14 -4.90 121.20 112.45 3hkn s ILE 215 Ca 0.58 -1.21 -0.06 0.00 -0.99 0.00 0.00 60.65 58.97 3hkn s ILE 215 Cb -0.11 -3.31 -0.04 0.00 2.95 0.00 0.00 42.46 41.95 3hkn s ILE 215 CO 0.52 -0.19 0.09 -0.44 -1.79 0.00 0.00 174.94 173.13 3hkn s SER 216 N -3.35 5.99 0.08 4.36 0.01 -1.26 -1.61 113.70 117.91 3hkn s SER 216 Ca 0.31 0.34 0.06 0.00 1.31 0.00 0.00 55.95 57.97 3hkn s SER 216 Cb -0.09 -1.89 -0.03 0.00 0.21 0.00 0.00 66.02 64.22 3hkn s SER 216 CO 0.24 0.38 -0.16 0.68 0.41 0.00 0.00 173.24 174.79 3hkn s VAL 217 N -0.84 1.24 0.62 3.43 -7.23 -0.45 -3.31 120.40 113.86 3hkn s VAL 217 Ca 0.13 -1.35 -0.11 0.00 -1.81 0.00 0.00 61.98 58.85 3hkn s VAL 217 Cb -0.12 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 3hkn s VAL 217 CO 0.03 -0.18 1.03 -0.94 -0.31 0.00 0.00 175.10 174.73 3hkn s SER 218 N -1.76 6.19 0.31 4.85 1.04 -1.19 -0.34 113.70 122.80 3hkn s SER 218 Ca -0.00 1.43 -0.01 0.00 0.48 0.00 0.00 55.95 57.85 3hkn s SER 218 Cb -0.10 -2.47 0.48 0.00 0.10 0.00 0.00 66.02 64.03 3hkn s SER 218 CO 0.03 -0.90 1.96 0.77 0.98 0.00 0.00 173.24 176.08 3hkn h SER 219 N -0.34 0.88 -0.82 7.02 4.64 -1.94 -1.76 113.55 121.24 3hkn h SER 219 Ca -0.44 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 60.82 3hkn h SER 219 Cb 1.19 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 63.02 3hkn h SER 219 CO 0.62 0.66 0.43 -0.33 -0.87 0.00 0.00 176.83 177.34 3hkn h GLU 220 N 1.03 1.15 -0.21 4.77 3.07 -1.95 -0.98 114.58 121.46 3hkn h GLU 220 Ca 0.27 -0.14 -0.03 0.00 -0.50 0.00 0.00 59.36 58.96 3hkn h GLU 220 Cb -0.08 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.60 3hkn h GLU 220 CO -0.06 0.86 0.01 1.96 -1.40 0.00 0.00 179.01 180.38 3hkn h GLN 221 N 1.14 0.36 -0.76 2.33 4.20 -1.72 -2.84 115.11 117.82 3hkn h GLN 221 Ca 0.29 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 3hkn h GLN 221 Cb 0.05 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 3hkn h GLN 221 CO -0.04 0.55 0.34 -0.39 -0.67 0.00 0.00 178.83 178.62 3hkn h VAL 222 N 0.13 1.24 -0.85 -0.54 -1.51 -1.17 -2.52 116.25 111.04 3hkn h VAL 222 Ca 0.06 -0.72 0.07 0.00 -1.23 0.00 0.00 66.70 64.88 3hkn h VAL 222 Cb 0.38 0.30 -0.06 0.00 -2.13 0.00 0.00 31.29 29.78 3hkn h VAL 222 CO 0.01 0.30 0.55 -0.07 -1.23 0.00 0.00 177.57 177.13 3hkn h LEU 223 N 1.09 0.81 -0.95 4.19 3.38 -1.07 -0.81 115.31 121.95 3hkn h LEU 223 Ca 0.26 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.13 3hkn h LEU 223 Cb 0.14 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3hkn h LEU 223 CO -0.03 0.51 -0.46 0.11 0.09 0.00 0.00 178.44 178.66 3hkn h LYS 224 N 0.91 0.14 -0.66 1.13 1.57 -1.22 -2.49 116.57 115.96 3hkn h LYS 224 Ca 0.37 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 3hkn h LYS 224 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 3hkn h LYS 224 CO -0.14 0.58 0.34 0.74 -0.57 0.00 0.00 179.45 180.40 3hkn h PHE 225 N 0.12 0.92 0.00 -1.35 -1.00 -1.01 -2.22 116.94 112.40 3hkn h PHE 225 Ca 0.01 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.75 3hkn h PHE 225 Cb 0.86 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 40.13 3hkn h PHE 225 CO 0.01 0.67 0.00 0.54 -1.61 0.00 0.00 178.31 177.92 3hkn n ARG 226 N -4.50 0.38 0.00 1.51 1.74 -0.89 -2.51 116.66 112.39 3hkn n ARG 226 Ca 0.05 0.07 0.12 0.00 -0.77 0.00 0.00 57.85 57.32 3hkn n ARG 226 Cb 0.11 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.24 3hkn n ARG 226 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3hkn n LYS 227 N -1.17 0.29 -1.19 5.56 5.02 -0.83 -4.49 118.16 121.35 3hkn n LYS 227 Ca 0.11 -0.19 -0.30 0.00 -2.02 0.00 0.00 58.31 55.90 3hkn n LYS 227 Cb 0.11 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 33.75 3hkn n LYS 227 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hkn s LEU 228 N -2.84 2.41 -0.01 -0.35 1.43 -1.04 -4.86 118.68 113.42 3hkn s LEU 228 Ca 0.14 1.58 0.08 0.00 -1.03 0.00 0.00 54.13 54.90 3hkn s LEU 228 Cb 0.18 -4.05 -0.02 0.00 0.03 0.00 0.00 46.19 42.33 3hkn s LEU 228 CO 0.68 -2.56 -0.25 0.20 0.23 0.00 0.00 176.35 174.65 3hkn s ASN 229 N -3.37 2.99 0.10 2.29 0.02 0.48 -0.06 114.94 117.39 3hkn s ASN 229 Ca 0.63 -0.48 -0.08 0.00 -1.02 0.00 0.00 52.86 51.91 3hkn s ASN 229 Cb -0.18 -0.32 -0.16 0.00 0.02 0.00 0.00 41.25 40.60 3hkn s ASN 229 CO 0.57 0.30 1.24 -0.26 0.02 0.00 0.00 177.10 178.97 3hkn h PHE 230 N 5.38 0.75 -4.29 2.20 0.04 -1.28 -3.35 116.94 116.39 3hkn h PHE 230 Ca -0.43 -0.43 -0.49 0.00 2.80 0.00 0.00 57.97 59.42 3hkn h PHE 230 Cb 1.13 -0.08 0.11 0.00 2.20 0.00 0.00 35.95 39.31 3hkn h PHE 230 CO 0.41 1.26 0.34 0.54 -0.60 0.00 0.00 178.31 180.26 3hkn s ASN 231 N -7.18 4.62 0.52 2.17 4.22 -1.26 -4.35 114.94 113.69 3hkn s ASN 231 Ca -0.07 1.40 -0.02 0.00 -2.14 0.00 0.00 52.86 52.03 3hkn s ASN 231 Cb 0.08 -2.16 0.01 0.00 1.28 0.00 0.00 41.25 40.45 3hkn s ASN 231 CO 0.89 -1.90 0.78 -0.83 -2.04 0.00 0.00 177.10 174.00 3hkn s GLY 232 N -3.83 1.61 0.31 0.45 0.00 -1.26 -1.38 107.32 103.22 3hkn s GLY 232 Ca 0.60 -0.93 -0.29 0.00 0.00 0.00 0.00 44.72 44.10 3hkn s GLY 232 CO 0.55 -0.70 1.36 -2.21 0.00 0.00 0.00 173.10 172.10 3hkn n GLU 233 N -2.33 2.19 -0.97 2.90 2.13 -1.26 -2.38 120.64 120.91 3hkn n GLU 233 Ca 0.03 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.63 3hkn n GLU 233 Cb 0.58 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 29.89 3hkn n GLU 233 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hkn n GLY 234 N 1.25 0.43 3.38 8.31 0.00 -1.26 -5.05 105.19 112.26 3hkn n GLY 234 Ca 0.07 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 45.16 3hkn n GLY 234 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hkn s GLU 235 N -1.33 1.41 0.25 1.61 2.02 -1.00 -5.10 118.70 116.55 3hkn s GLU 235 Ca 0.00 -1.65 -0.31 0.00 0.02 0.00 0.00 54.97 53.04 3hkn s GLU 235 Cb 0.00 -1.21 -0.14 0.00 0.10 0.00 0.00 34.13 32.88 3hkn s GLU 235 CO 0.00 0.18 1.31 -2.30 0.02 0.00 0.00 175.26 174.47 3hkn n PRO 236 N -0.44 1.83 -2.38 0.39 -0.02 -1.26 -4.88 135.00 128.23 3hkn n PRO 236 Ca -0.07 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 3hkn n PRO 236 Cb 0.61 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 3hkn n PRO 236 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3hkn s GLU 237 N -0.70 4.37 -0.22 -0.52 2.12 -1.26 -4.76 118.70 117.73 3hkn s GLU 237 Ca 0.66 1.79 -0.00 0.00 0.36 0.00 0.00 54.97 57.78 3hkn s GLU 237 Cb -0.68 -3.47 0.06 0.00 0.26 0.00 0.00 34.13 30.30 3hkn s GLU 237 CO 0.53 -0.40 -0.03 -1.21 -0.54 0.00 0.00 175.26 173.60 3hkn s GLU 238 N 1.78 1.39 0.30 4.30 2.02 -1.26 -5.05 118.70 122.16 3hkn s GLU 238 Ca 0.59 -0.83 -0.30 0.00 0.02 0.00 0.00 54.97 54.45 3hkn s GLU 238 Cb -0.28 -2.45 -0.11 0.00 0.10 0.00 0.00 34.13 31.39 3hkn s GLU 238 CO 0.26 -0.60 1.50 -0.51 0.02 0.00 0.00 175.26 175.93 3hkn s LEU 239 N 1.52 4.36 -0.91 1.80 1.43 -1.26 -0.91 118.68 124.70 3hkn s LEU 239 Ca -0.04 2.85 -0.25 0.00 -1.03 0.00 0.00 54.13 55.66 3hkn s LEU 239 Cb -0.18 -3.64 0.04 0.00 0.03 0.00 0.00 46.19 42.44 3hkn s LEU 239 CO -0.07 -0.80 1.39 -0.32 0.23 0.00 0.00 176.35 176.78 3hkn s MET 240 N -0.85 3.43 0.05 1.70 -2.45 0.92 -4.62 119.30 117.47 3hkn s MET 240 Ca 0.59 -0.78 -0.06 0.00 -1.25 0.00 0.00 55.69 54.19 3hkn s MET 240 Cb -0.45 -4.91 -0.01 0.00 1.25 0.00 0.00 34.83 30.71 3hkn s MET 240 CO 0.49 -2.19 0.12 0.14 1.05 0.00 0.00 175.02 174.63 3hkn s VAL 241 N 5.30 0.14 -1.30 10.11 -7.23 -1.26 -4.51 120.40 121.65 3hkn s VAL 241 Ca 0.42 -1.12 -0.02 0.00 -1.81 0.00 0.00 61.98 59.45 3hkn s VAL 241 Cb -0.03 -1.00 0.01 0.00 0.56 0.00 0.00 36.38 35.92 3hkn s VAL 241 CO -0.00 -0.62 0.86 0.47 -0.31 0.00 0.00 175.10 175.49 3hkn n ASP 242 N 0.60 -2.16 -2.93 4.85 8.00 0.14 -4.87 116.55 120.18 3hkn n ASP 242 Ca -0.18 -0.73 -0.36 0.00 0.71 0.00 0.00 54.79 54.23 3hkn n ASP 242 Cb 0.59 -4.46 0.00 0.00 -0.02 0.00 0.00 41.12 37.24 3hkn n ASP 242 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3hkn n ASN 243 N -3.06 7.23 -4.26 -2.24 6.94 -1.08 -4.91 115.26 113.89 3hkn n ASN 243 Ca -0.24 -3.58 -0.26 0.00 -0.02 0.00 0.00 54.58 50.48 3hkn n ASN 243 Cb 0.65 -1.15 -0.14 0.00 -2.36 0.00 0.00 39.78 36.78 3hkn n ASN 243 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3hkn s TRP 244 N -3.18 1.83 -0.01 -2.53 1.48 -1.26 -4.57 118.94 110.70 3hkn s TRP 244 Ca 0.53 -0.38 -0.13 0.00 -1.06 0.00 0.00 56.10 55.05 3hkn s TRP 244 Cb 0.37 -1.09 -0.05 0.00 -1.16 0.00 0.00 33.47 31.54 3hkn s TRP 244 CO -0.30 0.10 0.37 0.50 -4.06 0.00 0.00 176.95 173.57 3hkn s ARG 245 N -1.24 3.84 0.78 3.25 3.52 -1.26 -4.99 118.95 122.85 3hkn s ARG 245 Ca 0.08 0.32 -0.11 0.00 -0.13 0.00 0.00 55.73 55.88 3hkn s ARG 245 Cb -0.09 -3.20 0.06 0.00 -1.56 0.00 0.00 34.95 30.16 3hkn s ARG 245 CO 0.02 0.70 1.09 -1.25 -0.81 0.00 0.00 175.30 175.05 3hkn s PRO 246 N -1.12 2.21 0.35 5.12 0.04 -1.26 -4.63 135.00 135.70 3hkn s PRO 246 Ca 0.23 0.65 -0.28 0.00 0.04 0.00 0.00 61.00 61.64 3hkn s PRO 246 Cb -0.16 -1.93 -0.12 0.00 0.04 0.00 0.00 34.50 32.33 3hkn s PRO 246 CO 0.12 -1.54 1.38 0.00 0.04 0.00 0.00 177.00 177.01 3hkn n ALA 247 N -3.38 1.78 -2.65 8.56 0.00 -1.26 -4.38 120.51 119.19 3hkn n ALA 247 Ca 0.07 0.35 -0.22 0.00 0.00 0.00 0.00 53.44 53.64 3hkn n ALA 247 Cb 0.56 -2.33 -0.05 0.00 0.00 0.00 0.00 19.45 17.63 3hkn n ALA 247 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3hkn s GLN 248 N -1.92 2.59 0.24 0.00 -1.52 0.77 -4.94 119.66 114.88 3hkn s GLN 248 Ca 0.55 -1.31 -0.31 0.00 -1.95 0.00 0.00 55.36 52.34 3hkn s GLN 248 Cb -0.53 -2.35 -0.13 0.00 -0.22 0.00 0.00 33.01 29.79 3hkn s GLN 248 CO 0.62 0.27 1.56 -2.30 -0.25 0.00 0.00 175.29 175.20 3hkn n PRO 249 N -1.13 2.42 0.08 2.91 -0.02 -1.26 -4.53 135.00 133.47 3hkn n PRO 249 Ca -0.05 0.86 -0.05 0.00 -2.02 0.00 0.00 63.50 62.24 3hkn n PRO 249 Cb 0.59 -2.62 0.12 0.00 -0.02 0.00 0.00 33.50 31.57 3hkn n PRO 249 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3hkn h LEU 250 N 5.19 0.31 0.00 2.45 5.85 -1.95 -3.43 115.31 123.74 3hkn h LEU 250 Ca -0.45 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.09 3hkn h LEU 250 Cb 1.24 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3hkn h LEU 250 CO 0.83 0.83 0.00 0.29 -0.34 0.00 0.00 178.44 180.05 3hkn n LYS 251 N -3.89 0.00 -1.52 1.25 5.02 -1.26 -3.19 118.16 114.57 3hkn n LYS 251 Ca -0.02 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.93 3hkn n LYS 251 Cb 0.61 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.57 3hkn n LYS 251 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hkn n ASN 252 N 1.54 7.74 -4.04 4.39 5.03 -1.26 -4.89 115.26 123.77 3hkn n ASN 252 Ca 0.00 -2.83 -0.13 0.00 0.87 0.00 0.00 54.58 52.50 3hkn n ASN 252 Cb 0.00 -1.43 -0.12 0.00 -1.02 0.00 0.00 39.78 37.21 3hkn n ASN 252 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3hkn s ARG 253 N 0.41 0.49 -0.03 3.52 0.52 -1.19 -5.11 118.95 117.56 3hkn s ARG 253 Ca 0.63 -0.70 0.07 0.00 -0.52 0.00 0.00 55.73 55.21 3hkn s ARG 253 Cb 0.23 -0.24 -0.02 0.00 0.52 0.00 0.00 34.95 35.44 3hkn s ARG 253 CO -0.08 0.04 -0.23 -1.14 0.02 0.00 0.00 175.30 173.91 3hkn s GLN 254 N -1.46 2.20 -0.21 3.54 0.74 -1.26 -5.03 119.66 118.18 3hkn s GLN 254 Ca -0.10 -0.88 -0.10 0.00 0.05 0.00 0.00 55.36 54.33 3hkn s GLN 254 Cb -0.09 -2.12 -0.05 0.00 1.10 0.00 0.00 33.01 31.84 3hkn s GLN 254 CO 0.00 0.57 0.15 0.42 -0.55 0.00 0.00 175.29 175.89 3hkn s ILE 255 N -0.65 5.39 -0.02 -2.34 1.09 -1.26 -4.69 121.20 118.71 3hkn s ILE 255 Ca 0.10 0.22 -0.01 0.00 -1.10 0.00 0.00 60.65 59.87 3hkn s ILE 255 Cb -0.10 -3.49 -0.04 0.00 -1.06 0.00 0.00 42.46 37.77 3hkn s ILE 255 CO -0.01 0.41 0.07 -0.54 -0.10 0.00 0.00 174.94 174.78 3hkn s LYS 256 N 0.55 3.06 -0.01 2.79 1.02 -0.43 -1.56 119.74 125.17 3hkn s LYS 256 Ca 0.09 -0.46 0.04 0.00 0.02 0.00 0.00 55.97 55.66 3hkn s LYS 256 Cb -0.12 -2.86 -0.03 0.00 -0.52 0.00 0.00 37.83 34.30 3hkn s LYS 256 CO 0.00 0.66 -0.11 0.00 -0.92 0.00 0.00 175.35 174.98 3hkn s ALA 257 N -1.14 2.83 -2.09 5.17 0.00 0.15 -0.44 121.76 126.24 3hkn s ALA 257 Ca 0.21 -1.04 0.28 0.00 0.00 0.00 0.00 51.96 51.42 3hkn s ALA 257 Cb -0.12 -1.01 1.13 0.00 0.00 0.00 0.00 23.12 23.13 3hkn s ALA 257 CO 0.12 0.59 1.79 -1.13 0.00 0.00 0.00 175.76 177.12 3hkn n SER 258 N 1.81 0.99 -4.19 0.00 3.41 0.03 -1.01 113.62 114.67 3hkn n SER 258 Ca -0.16 -1.11 -0.11 0.00 -0.26 0.00 0.00 58.87 57.23 3hkn n SER 258 Cb 0.52 0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.39 3hkn n SER 258 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3hkn s PHE 259 N -2.21 1.01 -2.65 7.33 -0.71 -1.26 -4.89 117.98 114.60 3hkn s PHE 259 Ca 0.34 -1.16 0.27 0.00 -1.04 0.00 0.00 56.93 55.34 3hkn s PHE 259 Cb 0.21 -0.57 0.79 0.00 -1.21 0.00 0.00 43.02 42.23 3hkn s PHE 259 CO 0.41 -0.41 1.60 1.63 -1.34 0.00 0.00 175.22 177.11