#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jhk s GLN 3 N 0.00 0.58 -0.14 9.51 -0.21 -1.26 -5.04 119.66 123.10 1jhk s GLN 3 Ca 0.00 -0.17 0.01 0.00 0.02 0.00 0.00 55.36 55.22 1jhk s GLN 3 Cb 0.00 0.25 -0.00 0.00 1.00 0.00 0.00 33.01 34.26 1jhk s GLN 3 CO 0.00 -0.15 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.34 1jhk s LEU 4 N -1.16 2.41 -0.05 2.90 1.43 -1.26 -2.93 118.68 120.02 1jhk s LEU 4 Ca -0.12 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.54 1jhk s LEU 4 Cb -0.05 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 1jhk s LEU 4 CO 0.03 0.11 -0.17 -0.69 0.23 0.00 0.00 176.35 175.85 1jhk s VAL 5 N 0.68 2.78 0.26 -1.59 1.01 -0.88 -4.09 120.40 118.57 1jhk s VAL 5 Ca -0.08 -0.82 0.11 0.00 0.00 0.00 0.00 61.98 61.18 1jhk s VAL 5 Cb -0.16 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 1jhk s VAL 5 CO 0.02 0.58 -0.11 -1.10 0.00 0.00 0.00 175.10 174.49 1jhk s GLN 6 N -0.54 1.96 0.61 2.72 -0.21 -1.26 -0.98 119.66 121.96 1jhk s GLN 6 Ca 0.07 -1.58 -0.17 0.00 0.02 0.00 0.00 55.36 53.70 1jhk s GLN 6 Cb -0.11 -1.96 -0.02 0.00 1.00 0.00 0.00 33.01 31.91 1jhk s GLN 6 CO 0.01 0.35 1.12 -1.54 -2.12 0.00 0.00 175.29 173.12 1jhk s SER 7 N -3.50 5.32 1.40 5.90 1.04 -0.97 -4.99 113.70 117.90 1jhk s SER 7 Ca 0.30 2.10 -0.21 0.00 0.48 0.00 0.00 55.95 58.62 1jhk s SER 7 Cb -0.06 -2.57 0.32 0.00 0.10 0.00 0.00 66.02 63.82 1jhk s SER 7 CO 0.17 -1.49 0.73 0.61 0.98 0.00 0.00 173.24 174.24 1jhk n GLY 8 N -0.19 -3.88 3.41 7.32 0.00 -1.26 -4.72 105.19 105.88 1jhk n GLY 8 Ca 0.11 -1.26 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 1jhk n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jhk n PRO 9 N -5.15 -0.42 -3.98 1.61 -0.04 -1.26 -4.71 135.00 121.05 1jhk n PRO 9 Ca 0.12 -0.08 -0.12 0.00 -0.04 0.00 0.00 63.50 63.38 1jhk n PRO 9 Cb 0.51 -1.86 -0.13 0.00 -0.04 0.00 0.00 33.50 31.98 1jhk n PRO 9 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1jhk s GLU 10 N -3.65 0.25 -0.11 0.54 0.41 -0.06 -4.97 118.70 111.12 1jhk s GLU 10 Ca 0.57 -0.37 -0.02 0.00 -0.41 0.00 0.00 54.97 54.74 1jhk s GLU 10 Cb -0.20 -0.06 0.04 0.00 -1.78 0.00 0.00 34.13 32.13 1jhk s GLU 10 CO 0.67 0.00 0.01 -1.17 -0.49 0.00 0.00 175.26 174.29 1jhk s LEU 11 N -0.81 0.77 0.22 1.80 2.96 -1.26 -1.70 118.68 120.65 1jhk s LEU 11 Ca -0.07 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.56 1jhk s LEU 11 Cb -0.06 -0.49 -0.05 0.00 0.50 0.00 0.00 46.19 46.09 1jhk s LEU 11 CO -0.00 -0.23 -0.04 -0.54 -1.32 0.00 0.00 176.35 174.22 1jhk s LYS 12 N 1.93 1.30 0.09 1.98 -0.14 -0.57 -5.00 119.74 119.33 1jhk s LYS 12 Ca 0.03 -1.63 -0.02 0.00 -1.36 0.00 0.00 55.97 52.99 1jhk s LYS 12 Cb -0.14 -0.72 -0.05 0.00 -1.68 0.00 0.00 37.83 35.25 1jhk s LYS 12 CO -0.06 -0.02 0.27 0.15 -0.76 0.00 0.00 175.35 174.93 1jhk s LYS 13 N -3.80 3.51 -0.13 1.68 1.02 -1.26 -1.81 119.74 118.94 1jhk s LYS 13 Ca 0.25 -0.31 -0.39 0.00 0.02 0.00 0.00 55.97 55.55 1jhk s LYS 13 Cb 0.04 -2.97 -0.16 0.00 -0.52 0.00 0.00 37.83 34.22 1jhk s LYS 13 CO 0.07 0.55 1.57 -2.30 -0.92 0.00 0.00 175.35 174.33 1jhk n PRO 14 N 0.21 1.11 -0.15 -1.68 -0.02 -1.26 -1.42 135.00 131.79 1jhk n PRO 14 Ca -0.04 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1jhk n PRO 14 Cb 0.51 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1jhk n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jhk n GLY 15 N 3.49 0.62 0.15 -1.23 0.00 0.30 -4.90 105.19 103.62 1jhk n GLY 15 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 1jhk n GLY 15 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jhk n GLU 16 N -2.02 0.64 -4.27 1.61 1.02 -0.50 -4.34 120.64 112.78 1jhk n GLU 16 Ca 0.00 -0.11 -0.23 0.00 -0.02 0.00 0.00 57.16 56.80 1jhk n GLU 16 Cb 0.00 -0.02 -0.12 0.00 -0.02 0.00 0.00 31.44 31.27 1jhk n GLU 16 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1jhk s THR 17 N 0.21 1.63 -0.04 2.62 2.01 -1.26 -2.23 115.64 118.58 1jhk s THR 17 Ca 0.03 -1.53 -0.05 0.00 0.31 0.00 0.00 61.69 60.45 1jhk s THR 17 Cb -0.00 -1.50 0.01 0.00 0.01 0.00 0.00 72.50 71.02 1jhk s THR 17 CO 0.02 -0.10 0.14 0.54 -0.69 0.00 0.00 174.62 174.53 1jhk s VAL 18 N -1.22 0.02 -0.14 3.82 0.11 -1.05 -5.01 120.40 116.92 1jhk s VAL 18 Ca 0.06 -0.14 0.02 0.00 -2.93 0.00 0.00 61.98 58.99 1jhk s VAL 18 Cb -0.10 -0.25 0.01 0.00 -1.53 0.00 0.00 36.38 34.52 1jhk s VAL 18 CO 0.04 -0.08 -0.20 -0.13 -3.33 0.00 0.00 175.10 171.40 1jhk s ARG 19 N -0.20 2.89 -0.19 1.54 0.52 -1.26 -1.59 118.95 120.65 1jhk s ARG 19 Ca -0.03 -0.80 -0.04 0.00 -0.52 0.00 0.00 55.73 54.34 1jhk s ARG 19 Cb -0.02 -2.38 -0.02 0.00 0.52 0.00 0.00 34.95 33.04 1jhk s ARG 19 CO 0.00 -0.07 -0.02 0.42 0.02 0.00 0.00 175.30 175.65 1jhk s ILE 20 N 0.96 3.81 0.16 1.52 1.01 -0.26 -4.95 121.20 123.45 1jhk s ILE 20 Ca -0.04 -0.37 -0.02 0.00 0.00 0.00 0.00 60.65 60.22 1jhk s ILE 20 Cb -0.15 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.57 1jhk s ILE 20 CO -0.05 0.45 0.35 -0.94 0.00 0.00 0.00 174.94 174.76 1jhk s SER 21 N 0.89 6.41 -0.29 3.58 1.04 -1.26 -1.47 113.70 122.59 1jhk s SER 21 Ca 0.00 0.43 -0.03 0.00 0.48 0.00 0.00 55.95 56.83 1jhk s SER 21 Cb -0.14 -2.02 0.11 0.00 0.10 0.00 0.00 66.02 64.06 1jhk s SER 21 CO 0.02 0.02 0.17 0.00 0.98 0.00 0.00 173.24 174.43 1jhk s LYS 23 N 2.08 3.56 0.59 0.00 -2.85 -0.15 -1.01 119.74 121.97 1jhk s LYS 23 Ca 0.10 -0.56 -0.05 0.00 -1.00 0.00 0.00 55.97 54.46 1jhk s LYS 23 Cb -0.16 -2.95 0.02 0.00 -2.06 0.00 0.00 37.83 32.68 1jhk s LYS 23 CO -0.33 0.09 0.89 0.00 0.10 0.00 0.00 175.35 176.10 1jhk s ALA 24 N 0.76 3.35 -0.15 0.59 0.00 -1.11 -2.08 121.76 123.12 1jhk s ALA 24 Ca -0.02 -0.80 0.19 0.00 0.00 0.00 0.00 51.96 51.34 1jhk s ALA 24 Cb -0.15 -2.54 -0.27 0.00 0.00 0.00 0.00 23.12 20.17 1jhk s ALA 24 CO 0.02 -0.84 0.19 -1.13 0.00 0.00 0.00 175.76 173.99 1jhk n SER 25 N -2.58 0.07 -0.04 0.00 3.41 -1.15 -4.71 113.62 108.61 1jhk n SER 25 Ca 0.05 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.62 1jhk n SER 25 Cb 0.58 1.29 -0.07 0.00 -0.26 0.00 0.00 64.21 65.75 1jhk n SER 25 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1jhk n ASP 26 N -2.60 2.88 -0.69 4.04 8.00 -1.26 -5.05 116.55 121.87 1jhk n ASP 26 Ca -0.24 -0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.26 1jhk n ASP 26 Cb 0.98 0.66 -0.00 0.00 -0.02 0.00 0.00 41.12 42.74 1jhk n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jhk n TYR 27 N -2.35 -0.24 0.00 1.24 0.18 -1.26 -5.16 117.16 109.57 1jhk n TYR 27 Ca -0.14 0.13 0.00 0.00 1.88 0.00 0.00 57.90 59.77 1jhk n TYR 27 Cb 0.78 -0.22 0.00 0.00 -0.38 0.00 0.00 39.34 39.52 1jhk n TYR 27 CO 0.00 0.00 0.00 -2.37 -2.08 0.00 0.00 176.86 172.41 1jhk n THR 31 N -2.79 0.00 0.00 -3.48 5.66 -1.26 -5.16 114.28 107.25 1jhk n THR 31 Ca -0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1jhk n THR 31 Cb 0.04 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.82 1jhk n THR 31 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1jhk n SER 32 N 0.00 0.00 0.00 1.09 3.41 -1.26 -4.80 113.62 112.06 1jhk n SER 32 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1jhk n SER 32 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1jhk n SER 32 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jhk n GLY 33 N 0.00 1.94 3.20 5.00 0.00 -1.26 -4.64 105.19 109.42 1jhk n GLY 33 Ca 0.00 -2.16 -0.12 0.00 0.00 0.00 0.00 46.02 43.74 1jhk n GLY 33 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1jhk s MET 34 N -1.59 1.09 0.08 1.61 0.00 -0.72 -4.21 119.30 115.57 1jhk s MET 34 Ca 0.00 -1.55 -0.00 0.00 0.00 0.00 0.00 55.69 54.14 1jhk s MET 34 Cb 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 34.83 34.85 1jhk s MET 34 CO 0.00 -0.26 -0.02 1.14 0.00 0.00 0.00 175.02 175.87 1jhk s GLN 35 N -4.04 0.73 0.02 3.16 -2.07 0.59 0.93 119.66 118.97 1jhk s GLN 35 Ca 0.29 -1.29 0.07 0.00 -1.82 0.00 0.00 55.36 52.61 1jhk s GLN 35 Cb 0.07 0.11 -0.02 0.00 -1.09 0.00 0.00 33.01 32.08 1jhk s GLN 35 CO 0.06 -0.12 -0.21 -1.58 -1.32 0.00 0.00 175.29 172.12 1jhk s TRP 36 N -3.87 1.86 0.01 9.60 0.52 -0.49 -1.04 118.94 125.54 1jhk s TRP 36 Ca 0.12 -0.37 0.04 0.00 0.02 0.00 0.00 56.10 55.91 1jhk s TRP 36 Cb 0.07 -1.15 -0.01 0.00 -1.15 0.00 0.00 33.47 31.23 1jhk s TRP 36 CO -0.06 0.04 -0.13 0.08 0.02 0.00 0.00 176.95 176.90 1jhk s VAL 37 N -0.67 0.99 -0.01 4.03 1.01 -0.08 -1.00 120.40 124.67 1jhk s VAL 37 Ca 0.08 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1jhk s VAL 37 Cb -0.09 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 1jhk s VAL 37 CO 0.01 0.16 -0.07 -1.58 0.00 0.00 0.00 175.10 173.61 1jhk s GLN 38 N -0.61 2.57 -0.24 2.72 0.74 0.39 -0.67 119.66 124.56 1jhk s GLN 38 Ca 0.03 -0.70 -0.04 0.00 0.05 0.00 0.00 55.36 54.70 1jhk s GLN 38 Cb -0.06 -2.50 0.09 0.00 1.10 0.00 0.00 33.01 31.64 1jhk s GLN 38 CO 0.00 0.61 0.15 -1.14 -0.55 0.00 0.00 175.29 174.36 1jhk s GLN 39 N -1.28 0.16 0.48 1.67 0.74 -0.32 0.17 119.66 121.28 1jhk s GLN 39 Ca 0.16 -0.22 -0.20 0.00 0.05 0.00 0.00 55.36 55.15 1jhk s GLN 39 Cb -0.11 -1.33 -0.09 0.00 1.10 0.00 0.00 33.01 32.58 1jhk s GLN 39 CO 0.06 -0.85 1.03 -1.64 -0.55 0.00 0.00 175.29 173.35 1jhk s MET 40 N 2.18 3.83 -0.27 1.67 -1.94 -1.26 -1.43 119.30 122.08 1jhk s MET 40 Ca 0.06 1.34 -0.41 0.00 -1.71 0.00 0.00 55.69 54.97 1jhk s MET 40 Cb -0.16 -2.10 -0.17 0.00 2.01 0.00 0.00 34.83 34.41 1jhk s MET 40 CO -0.23 -0.40 1.62 -0.35 -0.01 0.00 0.00 175.02 175.64 1jhk n PRO 41 N -0.95 0.81 -0.90 2.03 -0.04 -1.26 -0.30 135.00 134.38 1jhk n PRO 41 Ca 0.09 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1jhk n PRO 41 Cb 0.53 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 1jhk n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jhk n GLY 42 N 3.77 0.47 3.91 0.55 0.00 -1.26 -5.00 105.19 107.63 1jhk n GLY 42 Ca 0.26 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.06 1jhk n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jhk s LYS 43 N -0.56 2.42 0.76 1.61 -0.14 0.58 -5.14 119.74 119.28 1jhk s LYS 43 Ca 0.00 -1.69 -0.13 0.00 -1.36 0.00 0.00 55.97 52.79 1jhk s LYS 43 Cb 0.00 -2.35 0.18 0.00 -1.68 0.00 0.00 37.83 33.98 1jhk s LYS 43 CO 0.00 -0.43 0.93 0.41 -0.76 0.00 0.00 175.35 175.51 1jhk n GLY 44 N -1.73 -1.70 3.74 -3.33 0.00 -1.26 -4.64 105.19 96.27 1jhk n GLY 44 Ca 0.04 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 1jhk n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jhk s LEU 45 N 0.00 4.43 -0.06 0.99 1.43 -1.26 -4.31 118.68 119.90 1jhk s LEU 45 Ca 0.54 1.43 0.04 0.00 -1.03 0.00 0.00 54.13 55.11 1jhk s LEU 45 Cb -0.02 -3.23 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1jhk s LEU 45 CO 0.39 -0.01 -0.18 -0.75 0.23 0.00 0.00 176.35 176.03 1jhk s LYS 46 N 0.07 2.01 0.03 1.70 2.20 0.13 -4.97 119.74 120.90 1jhk s LYS 46 Ca 0.39 -0.63 -0.28 0.00 -0.36 0.00 0.00 55.97 55.09 1jhk s LYS 46 Cb -0.20 -1.67 -0.04 0.00 -1.51 0.00 0.00 37.83 34.40 1jhk s LYS 46 CO 0.23 0.20 0.88 -0.46 -0.36 0.00 0.00 175.35 175.84 1jhk s TRP 47 N 0.21 3.71 -0.17 4.03 -0.00 -1.26 0.15 118.94 125.60 1jhk s TRP 47 Ca -0.08 1.61 -0.03 0.00 -0.00 0.00 0.00 56.10 57.60 1jhk s TRP 47 Cb -0.14 -2.98 -0.23 0.00 -0.00 0.00 0.00 33.47 30.12 1jhk s TRP 47 CO 0.04 0.13 0.13 -0.89 -0.00 0.00 0.00 176.95 176.36 1jhk n ILE 48 N 3.30 1.66 -1.89 5.86 5.41 -0.17 -4.73 119.36 128.79 1jhk n ILE 48 Ca 0.02 -0.63 0.00 0.00 1.00 0.00 0.00 62.75 63.14 1jhk n ILE 48 Cb 0.50 -1.59 0.00 0.00 -0.71 0.00 0.00 39.64 37.84 1jhk n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1jhk n GLY 49 N 2.09 -1.33 3.20 7.39 0.00 -1.22 -1.35 105.19 113.98 1jhk n GLY 49 Ca -0.37 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 1jhk n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1jhk s TRP 50 N -2.39 0.65 -0.12 1.61 1.48 -0.27 -1.39 118.94 118.51 1jhk s TRP 50 Ca 0.00 -1.04 0.01 0.00 -1.06 0.00 0.00 56.10 54.01 1jhk s TRP 50 Cb 0.00 -0.33 0.02 0.00 -1.16 0.00 0.00 33.47 32.00 1jhk s TRP 50 CO 0.00 -0.56 -0.14 -1.17 -4.06 0.00 0.00 176.95 171.02 1jhk s LEU 51 N -3.00 1.64 -0.94 -4.66 2.96 0.26 -0.86 118.68 114.09 1jhk s LEU 51 Ca 0.19 -0.43 -0.24 0.00 -0.22 0.00 0.00 54.13 53.43 1jhk s LEU 51 Cb 0.06 -1.08 0.04 0.00 0.50 0.00 0.00 46.19 45.71 1jhk s LEU 51 CO -0.01 -0.02 1.43 0.21 -1.32 0.00 0.00 176.35 176.64 1jhk s ASN 52 N 1.23 6.34 0.55 3.68 3.84 -0.77 -1.75 114.94 128.06 1jhk s ASN 52 Ca -0.01 -1.14 0.32 0.00 0.21 0.00 0.00 52.86 52.24 1jhk s ASN 52 Cb -0.14 -2.57 1.48 0.00 -0.55 0.00 0.00 41.25 39.48 1jhk s ASN 52 CO -0.05 -1.65 1.87 0.71 -2.79 0.00 0.00 177.10 175.19 1jhk h THR 52 N 6.62 0.51 -0.07 -5.21 1.35 -1.88 0.97 112.91 115.19 1jhk h THR 52 Ca 0.07 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.87 1jhk h THR 52 Cb 1.02 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1jhk h THR 52 CO 1.38 0.00 -0.16 -0.61 -0.25 0.00 0.00 175.52 175.87 1jhk h GLN 53 N 0.00 0.24 -0.01 4.72 4.15 -1.89 -3.30 115.11 119.02 1jhk h GLN 53 Ca 0.42 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.68 1jhk h GLN 53 Cb 1.73 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.44 1jhk h GLN 53 CO -0.00 0.76 -0.46 -1.13 -1.93 0.00 0.00 178.83 176.07 1jhk n SER 54 N -4.58 1.87 0.00 -0.69 3.41 -0.72 -4.95 113.62 107.95 1jhk n SER 54 Ca -0.08 -1.42 0.00 0.00 -0.26 0.00 0.00 58.87 57.12 1jhk n SER 54 Cb 0.39 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 1jhk n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jhk n GLY 55 N 1.41 0.31 3.63 5.00 0.00 0.33 -4.95 105.19 110.91 1jhk n GLY 55 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1jhk n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jhk s VAL 56 N -1.85 4.53 0.31 1.61 1.01 -1.21 -4.81 120.40 119.99 1jhk s VAL 56 Ca 0.00 1.56 -0.13 0.00 0.00 0.00 0.00 61.98 63.41 1jhk s VAL 56 Cb 0.00 -4.39 -0.08 0.00 0.00 0.00 0.00 36.38 31.91 1jhk s VAL 56 CO 0.00 -0.50 0.69 -2.16 0.00 0.00 0.00 175.10 173.14 1jhk s PRO 57 N 3.60 3.92 -0.12 2.72 0.04 -1.26 -1.85 135.00 142.04 1jhk s PRO 57 Ca 0.43 0.54 -0.03 0.00 0.04 0.00 0.00 61.00 61.99 1jhk s PRO 57 Cb -0.12 -2.48 0.04 0.00 0.04 0.00 0.00 34.50 31.99 1jhk s PRO 57 CO 0.17 0.17 0.04 -2.00 0.04 0.00 0.00 177.00 175.42 1jhk s GLU 58 N -3.06 0.37 0.27 4.56 2.12 -0.04 -4.99 118.70 117.94 1jhk s GLU 58 Ca 0.52 -0.03 0.08 0.00 0.36 0.00 0.00 54.97 55.89 1jhk s GLU 58 Cb -0.10 -1.40 -0.04 0.00 0.26 0.00 0.00 34.13 32.85 1jhk s GLU 58 CO 0.20 -0.49 0.19 0.71 -0.54 0.00 0.00 175.26 175.33 1jhk s TYR 59 N 2.02 3.00 0.13 5.30 2.02 -1.26 -1.11 117.35 127.44 1jhk s TYR 59 Ca 0.03 -0.18 -0.09 0.00 -0.37 0.00 0.00 57.07 56.46 1jhk s TYR 59 Cb -0.14 -1.46 -0.06 0.00 -0.40 0.00 0.00 41.96 39.89 1jhk s TYR 59 CO -0.06 0.46 0.44 0.00 -1.57 0.00 0.00 175.55 174.81 1jhk s ALA 60 N -2.21 3.70 0.14 3.71 0.00 -0.46 -4.90 121.76 121.74 1jhk s ALA 60 Ca 0.34 -0.38 -0.14 0.00 0.00 0.00 0.00 51.96 51.78 1jhk s ALA 60 Cb -0.07 -2.29 0.11 0.00 0.00 0.00 0.00 23.12 20.87 1jhk s ALA 60 CO 0.24 0.57 1.03 0.39 0.00 0.00 0.00 175.76 178.00 1jhk n GLU 61 N 0.46 -0.19 0.00 0.00 -0.58 -1.26 -0.14 120.64 118.93 1jhk n GLU 61 Ca -0.04 1.02 0.06 0.00 -0.42 0.00 0.00 57.16 57.77 1jhk n GLU 61 Cb 0.52 -1.51 0.32 0.00 -0.57 0.00 0.00 31.44 30.20 1jhk n GLU 61 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1jhk n ASP 62 N -4.94 0.00 -0.01 1.62 8.00 -1.26 -2.70 116.55 117.26 1jhk n ASP 62 Ca 0.05 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1jhk n ASP 62 Cb 0.24 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1jhk n ASP 62 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1jhk n PHE 63 N -1.24 0.00 -2.38 1.24 3.72 0.80 -4.99 117.46 114.62 1jhk n PHE 63 Ca 0.06 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.05 1jhk n PHE 63 Cb 0.09 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 1jhk n PHE 63 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1jhk s LYS 64 N -0.04 4.46 0.00 -1.08 1.02 -1.05 -2.66 119.74 120.38 1jhk s LYS 64 Ca 0.00 1.85 0.00 0.00 0.02 0.00 0.00 55.97 57.84 1jhk s LYS 64 Cb 0.00 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.03 1jhk s LYS 64 CO 0.00 -0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.67 1jhk n GLY 65 N 2.69 2.81 0.01 -3.33 0.00 -1.26 -4.76 105.19 101.35 1jhk n GLY 65 Ca 0.07 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.48 1jhk n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jhk n ARG 66 N 0.00 0.13 -4.91 1.61 1.74 -1.25 -4.91 116.66 109.07 1jhk n ARG 66 Ca 0.00 -0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.74 1jhk n ARG 66 Cb 0.00 -1.53 -0.13 0.00 -1.02 0.00 0.00 32.46 29.78 1jhk n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1jhk s PHE 67 N -3.09 2.69 -0.11 -1.55 0.40 -1.09 -4.00 117.98 111.22 1jhk s PHE 67 Ca 0.06 -0.21 -0.09 0.00 -0.60 0.00 0.00 56.93 56.09 1jhk s PHE 67 Cb 0.16 -1.63 0.03 0.00 0.51 0.00 0.00 43.02 42.08 1jhk s PHE 67 CO 0.81 0.15 0.28 0.00 0.70 0.00 0.00 175.22 177.17 1jhk s ALA 68 N -0.65 -0.70 -0.04 5.36 0.00 -0.62 -4.82 121.76 120.28 1jhk s ALA 68 Ca 0.10 0.87 -0.04 0.00 0.00 0.00 0.00 51.96 52.90 1jhk s ALA 68 Cb -0.11 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 1jhk s ALA 68 CO 0.01 -0.15 0.16 -0.06 0.00 0.00 0.00 175.76 175.71 1jhk s PHE 69 N 0.40 3.53 0.15 0.00 0.08 -1.26 -1.70 117.98 119.19 1jhk s PHE 69 Ca -0.02 0.39 -0.10 0.00 0.12 0.00 0.00 56.93 57.32 1jhk s PHE 69 Cb -0.04 -1.85 -0.00 0.00 -0.57 0.00 0.00 43.02 40.56 1jhk s PHE 69 CO -0.02 0.66 0.29 -1.54 -0.10 0.00 0.00 175.22 174.52 1jhk s SER 70 N -1.64 0.01 0.30 1.36 1.04 -0.82 -4.97 113.70 108.97 1jhk s SER 70 Ca 0.23 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1jhk s SER 70 Cb -0.12 0.43 -0.00 0.00 0.10 0.00 0.00 66.02 66.43 1jhk s SER 70 CO 0.14 -0.88 0.01 0.18 0.98 0.00 0.00 173.24 173.67 1jhk n LEU 71 N -0.20 0.00 0.00 2.42 4.77 -1.26 0.17 117.00 122.90 1jhk n LEU 71 Ca -0.09 -1.90 0.00 0.00 -0.03 0.00 0.00 56.01 53.99 1jhk n LEU 71 Cb 0.63 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 1jhk n LEU 71 CO 0.23 -0.27 0.00 1.21 -1.33 0.00 0.00 177.39 177.23 1jhk n GLU 72 N -0.73 0.00 -1.11 3.23 0.00 -1.26 -4.84 120.64 115.94 1jhk n GLU 72 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.69 1jhk n GLU 72 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.79 1jhk n GLU 72 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1jhk n THR 76 N -0.31 2.45 -3.31 6.31 -2.24 -1.26 -5.08 114.28 110.85 1jhk n THR 76 Ca 0.00 -1.82 -0.07 0.00 -2.27 0.00 0.00 64.05 59.89 1jhk n THR 76 Cb 0.00 -2.32 -0.06 0.00 -2.10 0.00 0.00 70.33 65.85 1jhk n THR 76 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1jhk s THR 77 N 3.99 -0.68 0.16 4.28 2.01 -1.26 -2.76 115.64 121.39 1jhk s THR 77 Ca 0.51 -0.11 -0.11 0.00 0.31 0.00 0.00 61.69 62.29 1jhk s THR 77 Cb 0.13 -0.88 -0.07 0.00 0.01 0.00 0.00 72.50 71.69 1jhk s THR 77 CO 0.02 -0.14 0.51 0.00 -0.69 0.00 0.00 174.62 174.33 1jhk s ALA 78 N 2.60 3.62 0.21 7.40 0.00 -0.18 -4.47 121.76 130.93 1jhk s ALA 78 Ca 0.13 -0.25 0.11 0.00 0.00 0.00 0.00 51.96 51.95 1jhk s ALA 78 Cb -0.15 -2.42 -0.05 0.00 0.00 0.00 0.00 23.12 20.51 1jhk s ALA 78 CO -0.20 0.51 -0.21 0.71 0.00 0.00 0.00 175.76 176.56 1jhk s TYR 79 N -1.58 2.17 -0.22 0.00 2.02 0.13 -1.04 117.35 118.83 1jhk s TYR 79 Ca 0.40 -0.38 -0.02 0.00 -0.37 0.00 0.00 57.07 56.70 1jhk s TYR 79 Cb -0.13 -1.04 0.07 0.00 -0.40 0.00 0.00 41.96 40.45 1jhk s TYR 79 CO 0.20 0.51 0.03 -1.17 -1.57 0.00 0.00 175.55 173.54 1jhk s LEU 80 N -2.89 1.61 -0.11 -1.29 1.98 -0.54 -1.95 118.68 115.49 1jhk s LEU 80 Ca 0.22 -1.01 -0.02 0.00 -2.89 0.00 0.00 54.13 50.42 1jhk s LEU 80 Cb -0.06 -0.75 -0.03 0.00 0.66 0.00 0.00 46.19 46.00 1jhk s LEU 80 CO 0.10 -0.31 -0.02 -1.58 -1.89 0.00 0.00 176.35 172.65 1jhk s GLN 81 N 1.73 3.23 0.50 1.98 0.74 -0.69 -1.10 119.66 126.06 1jhk s GLN 81 Ca -0.00 -0.47 0.02 0.00 0.05 0.00 0.00 55.36 54.96 1jhk s GLN 81 Cb -0.17 -2.82 -0.02 0.00 1.10 0.00 0.00 33.01 31.10 1jhk s GLN 81 CO -0.10 0.52 0.02 0.42 -0.55 0.00 0.00 175.29 175.60 1jhk s ILE 82 N -0.39 1.26 0.00 -2.34 1.01 -0.62 -1.59 121.20 118.53 1jhk s ILE 82 Ca 0.07 -1.98 0.00 0.00 0.00 0.00 0.00 60.65 58.74 1jhk s ILE 82 Cb -0.12 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.11 1jhk s ILE 82 CO 0.02 0.00 0.00 0.59 0.00 0.00 0.00 174.94 175.55 1jhk n ASN 82 N -1.26 0.00 -4.53 3.58 5.03 -1.15 -2.53 115.26 114.40 1jhk n ASN 82 Ca -0.17 0.00 -0.49 0.00 0.87 0.00 0.00 54.58 54.78 1jhk n ASN 82 Cb 0.67 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.39 1jhk n ASN 82 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1jhk n LEU 82 N -0.26 0.78 -4.50 3.41 4.77 -0.94 -4.43 117.00 115.83 1jhk n LEU 82 Ca 0.00 1.15 -0.27 0.00 -0.03 0.00 0.00 56.01 56.85 1jhk n LEU 82 Cb 0.00 -1.13 -0.11 0.00 -2.33 0.00 0.00 43.42 39.85 1jhk n LEU 82 CO 0.00 -1.75 -0.47 -0.54 -1.33 0.00 0.00 177.39 173.30 1jhk s LYS 83 N -0.61 1.81 0.21 3.23 1.02 -1.26 0.11 119.74 124.25 1jhk s LYS 83 Ca 0.72 -1.34 -0.16 0.00 0.02 0.00 0.00 55.97 55.21 1jhk s LYS 83 Cb -0.91 -2.04 0.22 0.00 -0.52 0.00 0.00 37.83 34.58 1jhk s LYS 83 CO 0.55 0.43 1.61 -0.91 -0.92 0.00 0.00 175.35 176.10 1jhk h ASN 84 N 3.19 -0.82 0.00 2.83 2.35 -1.96 0.42 115.58 121.59 1jhk h ASN 84 Ca -0.47 0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1jhk h ASN 84 Cb 1.20 0.48 0.00 0.00 0.05 0.00 0.00 38.32 40.04 1jhk h ASN 84 CO 0.50 -0.26 0.09 -1.84 -1.65 0.00 0.00 177.43 174.27 1jhk n GLU 85 N -5.45 0.00 0.00 0.81 0.00 -1.26 -1.07 120.64 113.66 1jhk n GLU 85 Ca 0.07 0.38 0.13 0.00 0.00 0.00 0.00 57.16 57.74 1jhk n GLU 85 Cb 0.35 -1.59 0.64 0.00 0.00 0.00 0.00 31.44 30.85 1jhk n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1jhk n ASP 86 N -1.38 0.00 -4.68 -1.84 8.00 0.15 -4.79 116.55 112.01 1jhk n ASP 86 Ca 0.00 0.02 -0.42 0.00 0.71 0.00 0.00 54.79 55.10 1jhk n ASP 86 Cb 0.09 -0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 40.83 1jhk n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1jhk s THR 87 N -2.65 2.87 -1.44 -3.53 2.01 -0.24 -4.86 115.64 107.81 1jhk s THR 87 Ca 0.23 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.40 1jhk s THR 87 Cb 0.17 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.57 1jhk s THR 87 CO 0.41 -0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.34 1jhk n ALA 88 N 6.41 0.00 -2.72 7.40 0.00 -0.55 -4.57 120.51 126.47 1jhk n ALA 88 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.28 1jhk n ALA 88 Cb 0.40 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.75 1jhk n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jhk s THR 89 N -2.59 4.12 -0.12 0.00 2.01 -0.52 -0.40 115.64 118.14 1jhk s THR 89 Ca 0.00 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 61.71 1jhk s THR 89 Cb 0.00 -2.74 -0.01 0.00 0.01 0.00 0.00 72.50 69.76 1jhk s THR 89 CO 0.00 0.57 -0.17 -0.31 -0.69 0.00 0.00 174.62 174.03 1jhk s TYR 90 N -0.56 2.73 0.11 4.92 1.51 0.22 -1.17 117.35 125.11 1jhk s TYR 90 Ca 0.09 -0.78 0.07 0.00 -1.01 0.00 0.00 57.07 55.43 1jhk s TYR 90 Cb -0.12 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.89 1jhk s TYR 90 CO 0.02 -0.28 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.04 1jhk s PHE 91 N 0.35 2.79 0.19 2.71 0.08 0.16 -1.63 117.98 122.63 1jhk s PHE 91 Ca -0.14 -0.14 0.11 0.00 0.12 0.00 0.00 56.93 56.89 1jhk s PHE 91 Cb -0.17 -1.44 -0.04 0.00 -0.57 0.00 0.00 43.02 40.80 1jhk s PHE 91 CO 0.07 0.45 -0.23 0.00 -0.10 0.00 0.00 175.22 175.41 1jhk s ALA 93 N -1.65 -1.79 0.36 0.00 0.00 -0.21 -1.05 121.76 117.42 1jhk s ALA 93 Ca 0.21 1.58 0.04 0.00 0.00 0.00 0.00 51.96 53.78 1jhk s ALA 93 Cb -0.08 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 1jhk s ALA 93 CO 0.10 -0.35 0.13 -0.08 0.00 0.00 0.00 175.76 175.56 1jhk s THR 94 N -0.65 0.59 0.11 0.00 -1.32 -0.43 -0.30 115.64 113.64 1jhk s THR 94 Ca -0.07 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.39 1jhk s THR 94 Cb -0.02 -2.47 -0.04 0.00 -1.51 0.00 0.00 72.50 68.46 1jhk s THR 94 CO 0.06 0.00 0.06 -1.66 -2.21 0.00 0.00 174.62 170.87 1jhk s TRP 95 N -3.36 0.69 0.00 9.09 -2.14 -1.26 -1.47 118.94 120.49 1jhk s TRP 95 Ca 0.30 -1.11 0.00 0.00 2.66 0.00 0.00 56.10 57.95 1jhk s TRP 95 Cb 0.04 -0.40 0.00 0.00 -3.10 0.00 0.00 33.47 30.02 1jhk s TRP 95 CO 0.16 -0.50 0.00 0.41 -2.66 0.00 0.00 176.95 174.36 1jhk n GLY 96 N -0.04 1.88 7.00 3.67 0.00 -1.12 -4.72 105.19 111.85 1jhk n GLY 96 Ca -0.09 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1jhk n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jhk n GLY 97 N 0.00 1.66 0.93 -0.02 0.00 -1.26 -3.39 105.19 103.12 1jhk n GLY 97 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 45.98 1jhk n GLY 97 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jhk n ASN 98 N 9.30 1.54 -2.81 1.61 2.85 -1.26 -5.08 115.26 121.41 1jhk n ASN 98 Ca 0.00 -3.28 -0.04 0.00 -0.11 0.00 0.00 54.58 51.15 1jhk n ASN 98 Cb 0.00 -0.45 0.02 0.00 1.24 0.00 0.00 39.78 40.59 1jhk n ASN 98 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1jhk n SER 99 N -0.59 -1.64 -4.34 1.20 3.41 -1.22 -5.17 113.62 105.27 1jhk n SER 99 Ca 0.15 -1.97 -0.24 0.00 -0.26 0.00 0.00 58.87 56.55 1jhk n SER 99 Cb 0.84 2.69 -0.12 0.00 -0.26 0.00 0.00 64.21 67.37 1jhk n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jhk s ALA 101 N -1.89 2.09 -0.11 7.33 0.00 -1.26 -2.80 121.76 125.10 1jhk s ALA 101 Ca 0.17 -1.44 -0.00 0.00 0.00 0.00 0.00 51.96 50.69 1jhk s ALA 101 Cb -0.03 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.86 1jhk s ALA 101 CO 0.07 0.35 -0.08 0.71 0.00 0.00 0.00 175.76 176.80 1jhk s TYR 102 N -1.57 1.52 0.14 0.00 1.51 -0.54 -5.01 117.35 113.39 1jhk s TYR 102 Ca 0.13 -0.76 0.10 0.00 -1.01 0.00 0.00 57.07 55.54 1jhk s TYR 102 Cb -0.08 -1.25 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 1jhk s TYR 102 CO 0.06 -0.51 -0.22 -1.58 -1.11 0.00 0.00 175.55 172.18 1jhk s TRP 103 N 1.67 2.40 0.80 2.71 0.52 -1.26 -1.32 118.94 124.46 1jhk s TRP 103 Ca 0.04 -0.33 -0.12 0.00 0.02 0.00 0.00 56.10 55.72 1jhk s TRP 103 Cb -0.13 -1.26 0.07 0.00 -1.15 0.00 0.00 33.47 31.00 1jhk s TRP 103 CO -0.08 0.40 1.11 0.20 0.02 0.00 0.00 176.95 178.60 1jhk s GLY 104 N -2.25 1.61 0.21 0.98 0.00 -0.22 -4.53 107.32 103.12 1jhk s GLY 104 Ca 0.17 -0.34 0.23 0.00 0.00 0.00 0.00 44.72 44.78 1jhk s GLY 104 CO 0.09 0.11 1.70 0.61 0.00 0.00 0.00 173.10 175.60 1jhk n GLN 105 N -3.40 0.17 0.00 2.90 0.00 -1.26 -4.76 117.38 111.04 1jhk n GLN 105 Ca 0.07 0.35 0.00 0.00 0.00 0.00 0.00 57.00 57.42 1jhk n GLN 105 Cb 0.57 -1.80 0.00 0.00 0.00 0.00 0.00 30.24 29.02 1jhk n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jhk n GLY 106 N 0.25 2.31 2.71 2.61 0.00 -1.26 -5.05 105.19 106.76 1jhk n GLY 106 Ca 0.03 -1.84 -0.21 0.00 0.00 0.00 0.00 46.02 44.00 1jhk n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jhk s THR 107 N -2.58 0.07 0.12 2.61 2.01 -0.65 -4.84 115.64 112.39 1jhk s THR 107 Ca 0.00 0.30 -0.27 0.00 0.31 0.00 0.00 61.69 62.04 1jhk s THR 107 Cb 0.00 -0.29 -0.07 0.00 0.01 0.00 0.00 72.50 72.15 1jhk s THR 107 CO 0.00 0.21 0.83 -0.89 -0.69 0.00 0.00 174.62 174.08 1jhk s THR 108 N 2.04 4.47 -0.08 -0.82 2.01 -1.26 -0.61 115.64 121.38 1jhk s THR 108 Ca 0.04 1.81 0.01 0.00 0.31 0.00 0.00 61.69 63.86 1jhk s THR 108 Cb -0.12 -4.20 0.02 0.00 0.01 0.00 0.00 72.50 68.21 1jhk s THR 108 CO -0.04 0.43 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.01 1jhk s LEU 109 N -0.55 1.37 -0.15 4.42 2.96 0.46 -0.88 118.68 126.30 1jhk s LEU 109 Ca 0.40 -0.27 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 1jhk s LEU 109 Cb -0.23 -0.77 -0.00 0.00 0.50 0.00 0.00 46.19 45.70 1jhk s LEU 109 CO 0.27 -0.05 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.20 1jhk s THR 110 N 1.18 2.65 -0.31 3.68 2.01 -0.69 -1.49 115.64 122.67 1jhk s THR 110 Ca -0.05 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.20 1jhk s THR 110 Cb -0.14 -2.12 0.08 0.00 0.01 0.00 0.00 72.50 70.33 1jhk s THR 110 CO -0.02 0.52 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.72 1jhk s VAL 111 N 0.82 2.37 0.08 3.82 1.01 -1.26 -1.52 120.40 125.74 1jhk s VAL 111 Ca -0.05 -1.94 -0.11 0.00 0.00 0.00 0.00 61.98 59.88 1jhk s VAL 111 Cb -0.15 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.68 1jhk s VAL 111 CO -0.00 -0.32 0.26 -0.55 0.00 0.00 0.00 175.10 174.49 1jhk s SER 112 N 1.08 -0.01 0.11 3.32 0.15 -0.75 -4.26 113.70 113.34 1jhk s SER 112 Ca 0.01 -0.47 0.24 0.00 0.70 0.00 0.00 55.95 56.43 1jhk s SER 112 Cb -0.20 0.37 0.37 0.00 -1.71 0.00 0.00 66.02 64.85 1jhk s SER 112 CO -0.06 -0.72 1.33 -1.54 1.20 0.00 0.00 173.24 173.45 1jhk n SER 113 N 0.07 0.67 -4.43 5.45 3.41 -1.26 -4.18 113.62 113.36 1jhk n SER 113 Ca -0.16 0.10 -0.36 0.00 -0.26 0.00 0.00 58.87 58.18 1jhk n SER 113 Cb 0.62 0.16 0.07 0.00 -0.26 0.00 0.00 64.21 64.80 1jhk n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jhk n ALA 114 N -1.80 -1.83 -2.77 7.33 0.00 -1.26 -4.98 120.51 115.20 1jhk n ALA 114 Ca 0.03 -0.26 -0.35 0.00 0.00 0.00 0.00 53.44 52.86 1jhk n ALA 114 Cb 0.43 -1.79 -0.08 0.00 0.00 0.00 0.00 19.45 18.01 1jhk n ALA 114 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1jhk s LYS 115 N -2.62 3.99 -0.24 0.00 2.47 -1.26 -5.03 119.74 117.05 1jhk s LYS 115 Ca 0.63 -0.22 -0.34 0.00 -1.56 0.00 0.00 55.97 54.49 1jhk s LYS 115 Cb -0.35 -3.34 -0.10 0.00 -1.46 0.00 0.00 37.83 32.58 1jhk s LYS 115 CO 0.60 0.40 2.09 2.41 0.16 0.00 0.00 175.35 181.02 1jhk n THR 116 N 3.18 0.34 -4.93 3.43 -1.04 -1.26 -4.76 114.28 109.24 1jhk n THR 116 Ca -0.17 -0.25 -0.28 0.00 -2.04 0.00 0.00 64.05 61.31 1jhk n THR 116 Cb 0.53 -1.90 -0.16 0.00 -1.82 0.00 0.00 70.33 66.97 1jhk n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1jhk s THR 117 N 6.48 1.59 0.64 12.58 2.01 0.51 -4.96 115.64 134.48 1jhk s THR 117 Ca 1.02 -0.78 -0.14 0.00 0.31 0.00 0.00 61.69 62.10 1jhk s THR 117 Cb -0.70 -1.38 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 1jhk s THR 117 CO 0.47 0.45 1.06 -2.16 -0.69 0.00 0.00 174.62 173.76 1jhk s PRO 118 N 0.21 3.10 0.55 4.92 0.04 -1.26 -1.35 135.00 141.20 1jhk s PRO 118 Ca -0.09 1.15 -0.11 0.00 0.04 0.00 0.00 61.00 61.99 1jhk s PRO 118 Cb -0.14 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1jhk s PRO 118 CO 0.04 -0.98 0.94 -1.25 0.04 0.00 0.00 177.00 175.79 1jhk s PRO 119 N -4.39 3.67 -0.25 0.56 0.04 -1.26 -4.50 135.00 128.87 1jhk s PRO 119 Ca 0.62 0.65 -0.07 0.00 0.04 0.00 0.00 61.00 62.24 1jhk s PRO 119 Cb -0.16 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.18 1jhk s PRO 119 CO 0.43 -0.38 0.07 -1.12 0.04 0.00 0.00 177.00 176.04 1jhk s SER 120 N -3.84 5.08 -0.23 6.66 0.01 -0.18 -4.94 113.70 116.26 1jhk s SER 120 Ca 0.54 -0.29 -0.09 0.00 1.31 0.00 0.00 55.95 57.42 1jhk s SER 120 Cb -0.11 -1.91 -0.04 0.00 0.21 0.00 0.00 66.02 64.17 1jhk s SER 120 CO 0.45 -0.06 0.11 -0.69 0.41 0.00 0.00 173.24 173.47 1jhk s VAL 121 N 1.59 4.98 0.02 3.43 1.01 -1.26 -1.19 120.40 128.99 1jhk s VAL 121 Ca 0.06 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.17 1jhk s VAL 121 Cb -0.15 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1jhk s VAL 121 CO 0.03 0.37 -0.24 -0.31 0.00 0.00 0.00 175.10 174.96 1jhk s TYR 122 N 1.00 2.40 0.19 5.22 4.12 0.04 -4.96 117.35 125.36 1jhk s TYR 122 Ca 0.06 -0.37 -0.30 0.00 0.02 0.00 0.00 57.07 56.48 1jhk s TYR 122 Cb -0.14 -1.44 -0.08 0.00 -1.52 0.00 0.00 41.96 38.78 1jhk s TYR 122 CO 0.04 0.12 0.99 -1.25 0.02 0.00 0.00 175.55 175.47 1jhk s PRO 123 N -1.12 4.74 -0.42 -1.71 0.04 -1.26 -1.09 135.00 134.17 1jhk s PRO 123 Ca 0.12 1.54 -0.02 0.00 0.04 0.00 0.00 61.00 62.67 1jhk s PRO 123 Cb -0.10 -3.31 0.11 0.00 0.04 0.00 0.00 34.50 31.24 1jhk s PRO 123 CO 0.02 0.31 0.21 -0.51 0.04 0.00 0.00 177.00 177.07 1jhk s LEU 124 N -0.63 5.23 0.17 -3.56 1.43 -0.09 -4.88 118.68 116.34 1jhk s LEU 124 Ca 0.45 -2.10 0.09 0.00 -1.03 0.00 0.00 54.13 51.53 1jhk s LEU 124 Cb -0.26 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1jhk s LEU 124 CO 0.32 -0.52 -0.09 0.00 0.23 0.00 0.00 176.35 176.29 1jhk s ALA 125 N 1.04 2.96 0.28 4.21 0.00 -1.26 -1.48 121.76 127.51 1jhk s ALA 125 Ca 0.09 -1.43 -0.30 0.00 0.00 0.00 0.00 51.96 50.32 1jhk s ALA 125 Cb -0.22 -0.78 -0.13 0.00 0.00 0.00 0.00 23.12 21.99 1jhk s ALA 125 CO -0.04 0.49 1.37 -2.30 0.00 0.00 0.00 175.76 175.28 1jhk n PRO 126 N 0.12 2.09 -0.28 0.00 -0.02 -1.26 -4.95 135.00 130.69 1jhk n PRO 126 Ca -0.11 0.74 0.09 0.00 -2.02 0.00 0.00 63.50 62.20 1jhk n PRO 126 Cb 0.55 -2.37 0.22 0.00 -0.02 0.00 0.00 33.50 31.88 1jhk n PRO 126 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1jhk h GLY 127 N 3.66 1.09 -5.04 -1.23 0.00 -1.99 -3.39 103.07 96.18 1jhk h GLY 127 Ca -0.45 0.04 0.01 0.00 0.00 0.00 0.00 47.33 46.93 1jhk h GLY 127 CO 0.71 -0.33 0.07 -1.59 0.00 0.00 0.00 176.54 175.40 1jhk s THR 132 N -6.03 0.00 0.28 4.70 2.01 -1.26 -5.00 115.64 110.34 1jhk s THR 132 Ca -0.13 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.87 1jhk s THR 132 Cb 0.24 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.81 1jhk s THR 132 CO 0.76 0.00 0.38 0.59 -0.69 0.00 0.00 174.62 175.67 1jhk n ASN 133 N 3.80 0.47 0.19 3.53 5.03 -1.26 -5.00 115.26 122.03 1jhk n ASN 133 Ca -0.18 -1.41 0.13 0.00 0.87 0.00 0.00 54.58 53.99 1jhk n ASN 133 Cb 0.58 -0.25 0.26 0.00 -1.02 0.00 0.00 39.78 39.35 1jhk n ASN 133 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1jhk h SER 134 N -0.26 0.00 -4.18 6.41 4.64 -2.00 -3.41 113.55 114.76 1jhk h SER 134 Ca -0.13 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.50 1jhk h SER 134 Cb 0.46 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.30 1jhk h SER 134 CO 0.13 0.00 -0.88 -0.04 -0.87 0.00 0.00 176.83 175.17 1jhk s MET 135 N -3.22 1.68 -0.01 4.77 -1.94 -1.26 -0.75 119.30 118.58 1jhk s MET 135 Ca 0.07 -1.19 0.01 0.00 -1.71 0.00 0.00 55.69 52.88 1jhk s MET 135 Cb 0.07 -1.96 0.00 0.00 2.01 0.00 0.00 34.83 34.96 1jhk s MET 135 CO 0.64 0.49 -0.03 0.54 -0.01 0.00 0.00 175.02 176.65 1jhk s VAL 136 N -0.89 0.25 -0.20 -6.03 0.11 0.64 -4.73 120.40 109.55 1jhk s VAL 136 Ca 0.12 -0.10 -0.08 0.00 -2.93 0.00 0.00 61.98 59.00 1jhk s VAL 136 Cb -0.10 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 1jhk s VAL 136 CO 0.03 0.09 0.07 -0.89 -3.33 0.00 0.00 175.10 171.08 1jhk s THR 137 N 0.14 4.77 0.44 5.04 2.01 -1.26 -1.39 115.64 125.39 1jhk s THR 137 Ca -0.01 -0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.01 1jhk s THR 137 Cb -0.04 -3.17 -0.05 0.00 0.01 0.00 0.00 72.50 69.26 1jhk s THR 137 CO -0.00 0.42 0.10 -0.76 -0.69 0.00 0.00 174.62 173.69 1jhk s LEU 138 N 0.67 2.83 0.29 4.42 1.43 0.16 -4.62 118.68 123.85 1jhk s LEU 138 Ca 0.04 -1.32 -0.19 0.00 -1.03 0.00 0.00 54.13 51.63 1jhk s LEU 138 Cb -0.13 -1.08 0.06 0.00 0.03 0.00 0.00 46.19 45.07 1jhk s LEU 138 CO 0.02 -0.62 0.87 -0.83 0.23 0.00 0.00 176.35 176.01 1jhk s GLY 139 N -3.86 0.15 -0.06 -3.19 0.00 -0.55 -0.95 107.32 98.87 1jhk s GLY 139 Ca 0.31 -0.46 -0.02 0.00 0.00 0.00 0.00 44.72 44.54 1jhk s GLY 139 CO 0.17 0.49 0.13 0.00 0.00 0.00 0.00 173.10 173.89 1jhk s LEU 141 N 1.19 4.04 -0.45 0.00 2.96 -0.25 -0.83 118.68 125.34 1jhk s LEU 141 Ca -0.09 0.06 -0.06 0.00 -0.22 0.00 0.00 54.13 53.82 1jhk s LEU 141 Cb -0.12 -2.17 0.12 0.00 0.50 0.00 0.00 46.19 44.52 1jhk s LEU 141 CO -0.06 -0.04 0.29 -0.69 -1.32 0.00 0.00 176.35 174.53 1jhk s VAL 142 N 1.65 3.82 0.05 1.68 1.01 0.23 -0.78 120.40 128.07 1jhk s VAL 142 Ca 0.08 -1.93 0.04 0.00 0.00 0.00 0.00 61.98 60.17 1jhk s VAL 142 Cb -0.15 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1jhk s VAL 142 CO 0.10 -0.75 -0.02 -0.75 0.00 0.00 0.00 175.10 173.68 1jhk s LYS 143 N 1.23 2.59 -1.32 2.72 2.20 -0.33 -0.49 119.74 126.34 1jhk s LYS 143 Ca 0.07 -0.76 -0.05 0.00 -0.36 0.00 0.00 55.97 54.87 1jhk s LYS 143 Cb -0.25 -2.56 0.01 0.00 -1.51 0.00 0.00 37.83 33.53 1jhk s LYS 143 CO -0.02 0.57 1.03 0.41 -0.36 0.00 0.00 175.35 176.98 1jhk n GLY 144 N 0.99 -0.44 3.74 5.54 0.00 -0.96 -1.01 105.19 113.05 1jhk n GLY 144 Ca -0.13 0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1jhk n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jhk s TYR 145 N -3.38 2.74 -0.28 1.61 -0.85 -0.39 -4.58 117.35 112.22 1jhk s TYR 145 Ca 0.31 -0.35 -0.22 0.00 -0.52 0.00 0.00 57.07 56.30 1jhk s TYR 145 Cb -0.14 -1.59 0.13 0.00 0.38 0.00 0.00 41.96 40.73 1jhk s TYR 145 CO 0.75 0.36 0.99 0.12 -1.52 0.00 0.00 175.55 176.26 1jhk s PHE 146 N -2.39 -0.54 0.00 -3.49 5.36 -0.46 0.83 117.98 117.30 1jhk s PHE 146 Ca 0.37 1.21 0.00 0.00 -0.96 0.00 0.00 56.93 57.55 1jhk s PHE 146 Cb -0.03 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 43.02 1jhk s PHE 146 CO 0.23 -0.26 0.00 -0.35 -1.46 0.00 0.00 175.22 173.38 1jhk n PRO 147 N 2.81 2.07 -2.80 10.12 -0.04 -1.26 -0.37 135.00 145.54 1jhk n PRO 147 Ca -0.15 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.05 1jhk n PRO 147 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1jhk n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1jhk s GLU 148 N 1.41 3.45 0.00 0.54 0.41 -1.26 -4.80 118.70 118.44 1jhk s GLU 148 Ca 0.00 0.02 0.00 0.00 -0.41 0.00 0.00 54.97 54.58 1jhk s GLU 148 Cb 0.00 -2.44 0.00 0.00 -1.78 0.00 0.00 34.13 29.91 1jhk s GLU 148 CO 0.00 -0.17 0.00 -0.35 -0.49 0.00 0.00 175.26 174.25 1jhk n PRO 149 N -2.17 2.58 -3.63 0.39 -0.04 -1.26 -4.92 135.00 125.94 1jhk n PRO 149 Ca -0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.34 1jhk n PRO 149 Cb 0.56 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.90 1jhk n PRO 149 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1jhk s VAL 150 N 1.58 -0.51 -0.11 0.52 0.11 -1.26 -4.57 120.40 116.16 1jhk s VAL 150 Ca 0.00 0.20 -0.25 0.00 -2.93 0.00 0.00 61.98 59.00 1jhk s VAL 150 Cb 0.00 -0.56 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 1jhk s VAL 150 CO 0.00 0.07 0.77 0.28 -3.33 0.00 0.00 175.10 172.89 1jhk s THR 151 N 2.50 4.97 -0.09 5.04 -1.32 -0.69 -4.92 115.64 121.12 1jhk s THR 151 Ca 0.01 1.56 0.04 0.00 -1.21 0.00 0.00 61.69 62.09 1jhk s THR 151 Cb -0.12 -4.10 -0.00 0.00 -1.51 0.00 0.00 72.50 66.76 1jhk s THR 151 CO -0.11 0.15 -0.23 -0.69 -2.21 0.00 0.00 174.62 171.53 1jhk s VAL 152 N 1.40 2.16 0.27 5.08 1.01 -1.26 -1.02 120.40 128.04 1jhk s VAL 152 Ca 0.39 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1jhk s VAL 152 Cb -0.17 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 1jhk s VAL 152 CO 0.16 0.56 0.10 0.42 0.00 0.00 0.00 175.10 176.34 1jhk s THR 153 N 0.22 0.59 -0.07 3.92 -4.23 -0.40 -4.97 115.64 110.70 1jhk s THR 153 Ca -0.15 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.40 1jhk s THR 153 Cb -0.17 -2.64 0.01 0.00 1.34 0.00 0.00 72.50 71.04 1jhk s THR 153 CO 0.07 0.00 -0.17 0.26 -0.54 0.00 0.00 174.62 174.25 1jhk s TRP 154 N -3.70 1.81 -1.24 3.99 0.52 -1.26 -0.12 118.94 118.94 1jhk s TRP 154 Ca 0.37 -0.66 -0.15 0.00 0.02 0.00 0.00 56.10 55.68 1jhk s TRP 154 Cb 0.08 -1.26 0.00 0.00 -1.15 0.00 0.00 33.47 31.14 1jhk s TRP 154 CO 0.14 -0.28 0.64 0.09 0.02 0.00 0.00 176.95 177.56 1jhk n ASN 155 N 3.56 -3.38 -1.12 2.95 4.13 0.89 -0.97 115.26 121.32 1jhk n ASN 155 Ca -0.21 -1.05 -0.09 0.00 1.68 0.00 0.00 54.58 54.91 1jhk n ASN 155 Cb 0.52 -3.03 -0.04 0.00 -1.54 0.00 0.00 39.78 35.70 1jhk n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1jhk n SER 156 N -2.71 -2.96 0.00 6.41 7.64 -1.26 0.11 113.62 120.85 1jhk n SER 156 Ca -0.17 0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1jhk n SER 156 Cb 0.62 -2.70 0.00 0.00 -1.01 0.00 0.00 64.21 61.12 1jhk n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jhk n GLY 157 N -0.09 2.37 0.34 0.23 0.00 -0.15 -4.95 105.19 102.94 1jhk n GLY 157 Ca -0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.03 1jhk n GLY 157 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jhk h SER 158 N 0.00 0.36 -3.13 1.61 0.02 -0.23 -3.33 113.55 108.85 1jhk h SER 158 Ca 0.00 0.00 -0.76 0.00 -0.84 0.00 0.00 61.79 60.20 1jhk h SER 158 Cb 0.00 -0.07 -0.25 0.00 0.14 0.00 0.00 62.40 62.22 1jhk h SER 158 CO 0.00 0.23 -0.22 -0.76 -1.14 0.00 0.00 176.83 174.94 1jhk s LEU 159 N -9.35 6.17 0.00 5.07 1.43 -1.01 -4.82 118.68 116.17 1jhk s LEU 159 Ca -0.08 -1.83 0.01 0.00 -1.03 0.00 0.00 54.13 51.20 1jhk s LEU 159 Cb 0.19 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 44.22 1jhk s LEU 159 CO 0.74 -0.84 0.29 -1.54 0.23 0.00 0.00 176.35 175.24 1jhk n SER 160 N 5.18 0.59 -4.91 2.29 3.41 -1.25 -4.21 113.62 114.71 1jhk n SER 160 Ca -0.13 -0.79 -0.32 0.00 -0.26 0.00 0.00 58.87 57.37 1jhk n SER 160 Cb 0.40 0.45 -0.04 0.00 -0.26 0.00 0.00 64.21 64.76 1jhk n SER 160 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1jhk s SER 161 N -0.50 6.37 -1.56 4.04 0.15 -1.26 -4.32 113.70 116.62 1jhk s SER 161 Ca 0.00 0.30 -0.04 0.00 0.70 0.00 0.00 55.95 56.91 1jhk s SER 161 Cb 0.00 -1.98 0.01 0.00 -1.71 0.00 0.00 66.02 62.35 1jhk s SER 161 CO 0.01 0.20 0.52 0.61 1.20 0.00 0.00 173.24 175.79 1jhk n GLY 162 N 0.53 -0.52 3.18 9.45 0.00 -1.26 -4.60 105.19 111.97 1jhk n GLY 162 Ca -0.07 0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1jhk n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jhk s VAL 163 N -3.14 1.45 -0.28 1.61 1.01 -1.26 -0.36 120.40 119.43 1jhk s VAL 163 Ca 0.27 -0.82 -0.21 0.00 0.00 0.00 0.00 61.98 61.22 1jhk s VAL 163 Cb -0.12 -1.21 0.08 0.00 0.00 0.00 0.00 36.38 35.13 1jhk s VAL 163 CO 0.34 0.38 0.76 -1.38 0.00 0.00 0.00 175.10 175.20 1jhk s HIS 164 N -0.47 -0.83 -0.20 5.22 -3.43 -0.68 -5.03 115.29 109.87 1jhk s HIS 164 Ca 0.07 1.86 -0.06 0.00 -0.80 0.00 0.00 55.06 56.13 1jhk s HIS 164 Cb -0.07 0.41 -0.03 0.00 -1.43 0.00 0.00 32.58 31.46 1jhk s HIS 164 CO -0.00 -0.41 0.02 0.99 -2.00 0.00 0.00 174.74 173.34 1jhk s THR 165 N 0.84 4.11 0.50 -5.38 2.01 -1.26 -1.26 115.64 115.20 1jhk s THR 165 Ca -0.04 -0.26 -0.20 0.00 0.31 0.00 0.00 61.69 61.51 1jhk s THR 165 Cb -0.05 -2.86 -0.08 0.00 0.01 0.00 0.00 72.50 69.52 1jhk s THR 165 CO -0.08 0.42 1.04 -0.36 -0.69 0.00 0.00 174.62 174.96 1jhk s PHE 166 N 0.95 2.98 0.56 4.92 0.08 -0.82 -5.00 117.98 121.64 1jhk s PHE 166 Ca 0.02 1.57 -0.21 0.00 0.12 0.00 0.00 56.93 58.43 1jhk s PHE 166 Cb -0.14 -3.07 -0.04 0.00 -0.57 0.00 0.00 43.02 39.19 1jhk s PHE 166 CO 0.02 -0.89 1.28 -2.14 -0.10 0.00 0.00 175.22 173.40 1jhk s PRO 167 N -3.29 3.12 0.37 0.24 0.02 -1.26 -4.47 135.00 129.73 1jhk s PRO 167 Ca 0.67 2.04 -0.26 0.00 0.02 0.00 0.00 61.00 63.48 1jhk s PRO 167 Cb -0.17 -2.15 -0.09 0.00 0.02 0.00 0.00 34.50 32.12 1jhk s PRO 167 CO 0.21 -1.15 1.11 0.00 -0.33 0.00 0.00 177.00 176.85 1jhk s ALA 168 N -1.42 3.18 -0.05 -1.55 0.00 -1.26 -4.82 121.76 115.84 1jhk s ALA 168 Ca 0.73 0.86 0.02 0.00 0.00 0.00 0.00 51.96 53.57 1jhk s ALA 168 Cb -0.36 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 1jhk s ALA 168 CO 0.41 -0.34 -0.09 0.14 0.00 0.00 0.00 175.76 175.88 1jhk s VAL 169 N -1.44 3.52 -0.31 0.00 -7.23 0.04 -4.90 120.40 110.07 1jhk s VAL 169 Ca 0.55 -0.59 -0.19 0.00 -1.81 0.00 0.00 61.98 59.93 1jhk s VAL 169 Cb -0.28 -2.44 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 1jhk s VAL 169 CO 0.35 0.56 0.58 -0.22 -0.31 0.00 0.00 175.10 176.06 1jhk s LEU 170 N -0.89 4.18 -0.13 1.32 2.96 -1.26 -1.29 118.68 123.57 1jhk s LEU 170 Ca 0.13 0.30 0.01 0.00 -0.22 0.00 0.00 54.13 54.35 1jhk s LEU 170 Cb -0.11 -2.72 0.02 0.00 0.50 0.00 0.00 46.19 43.88 1jhk s LEU 170 CO 0.02 -0.45 -0.16 -1.58 -1.32 0.00 0.00 176.35 172.86 1jhk s GLN 171 N 2.51 2.33 5.92 1.98 0.74 0.84 -4.96 119.66 129.02 1jhk s GLN 171 Ca 0.23 -0.59 0.00 0.00 0.05 0.00 0.00 55.36 55.05 1jhk s GLN 171 Cb -0.15 -2.03 0.00 0.00 1.10 0.00 0.00 33.01 31.93 1jhk s GLN 171 CO 0.12 -0.12 0.00 0.45 -0.55 0.00 0.00 175.29 175.19 1jhk n SER 172 N 4.40 0.00 0.00 6.67 2.88 -1.26 -1.40 113.62 124.91 1jhk n SER 172 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1jhk n SER 172 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1jhk n SER 172 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1jhk n ASP 173 N 10.23 0.63 -4.56 -3.46 8.00 -1.26 -5.07 116.55 121.05 1jhk n ASP 173 Ca 0.00 -1.28 -0.27 0.00 0.71 0.00 0.00 54.79 53.95 1jhk n ASP 173 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 1jhk n ASP 173 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1jhk s LEU 174 N -0.28 2.93 0.03 0.64 1.43 -0.49 -4.85 118.68 118.09 1jhk s LEU 174 Ca 0.00 -0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 52.50 1jhk s LEU 174 Cb 0.00 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 1jhk s LEU 174 CO 0.00 0.11 0.19 -0.31 0.23 0.00 0.00 176.35 176.57 1jhk s TYR 175 N -1.66 3.51 0.00 0.29 1.51 0.24 -0.11 117.35 121.14 1jhk s TYR 175 Ca 0.24 0.29 0.02 0.00 -1.01 0.00 0.00 57.07 56.61 1jhk s TYR 175 Cb -0.09 -1.78 -0.01 0.00 -0.11 0.00 0.00 41.96 39.97 1jhk s TYR 175 CO 0.15 0.61 -0.06 0.99 -1.11 0.00 0.00 175.55 176.12 1jhk s THR 176 N -1.42 0.50 0.12 -0.71 2.01 -0.41 -1.26 115.64 114.47 1jhk s THR 176 Ca 0.31 -0.39 -0.22 0.00 0.31 0.00 0.00 61.69 61.70 1jhk s THR 176 Cb -0.13 -0.44 0.06 0.00 0.01 0.00 0.00 72.50 72.00 1jhk s THR 176 CO 0.23 0.06 0.55 -0.22 -0.69 0.00 0.00 174.62 174.55 1jhk s LEU 177 N -0.37 -0.31 0.07 4.42 0.20 0.35 -0.78 118.68 122.25 1jhk s LEU 177 Ca 0.01 0.01 0.02 0.00 0.69 0.00 0.00 54.13 54.85 1jhk s LEU 177 Cb -0.04 2.38 -0.03 0.00 -0.43 0.00 0.00 46.19 48.07 1jhk s LEU 177 CO -0.00 -0.89 -0.06 -0.94 -0.29 0.00 0.00 176.35 174.17 1jhk s SER 178 N -2.55 0.93 -0.03 3.68 1.04 -1.26 0.78 113.70 116.29 1jhk s SER 178 Ca -0.00 -0.82 0.06 0.00 0.48 0.00 0.00 55.95 55.67 1jhk s SER 178 Cb -0.00 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.19 1jhk s SER 178 CO -0.10 -0.38 -0.22 -0.55 0.98 0.00 0.00 173.24 172.98 1jhk s SER 179 N -2.43 2.61 -0.08 7.02 0.15 -0.01 -1.95 113.70 119.00 1jhk s SER 179 Ca 0.02 -0.41 0.01 0.00 0.70 0.00 0.00 55.95 56.27 1jhk s SER 179 Cb -0.01 -0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 63.82 1jhk s SER 179 CO -0.03 0.24 -0.10 -0.55 1.20 0.00 0.00 173.24 174.00 1jhk s SER 180 N -0.34 4.37 -0.02 5.45 0.15 -0.39 -1.24 113.70 121.69 1jhk s SER 180 Ca 0.04 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1jhk s SER 180 Cb -0.10 -1.16 0.02 0.00 -1.71 0.00 0.00 66.02 63.07 1jhk s SER 180 CO 0.01 0.32 0.01 0.54 1.20 0.00 0.00 173.24 175.31 1jhk s VAL 181 N -0.56 0.07 -0.22 4.45 0.11 -0.12 -1.69 120.40 122.44 1jhk s VAL 181 Ca 0.08 0.10 -0.03 0.00 -2.93 0.00 0.00 61.98 59.21 1jhk s VAL 181 Cb -0.12 -0.16 0.00 0.00 -1.53 0.00 0.00 36.38 34.58 1jhk s VAL 181 CO 0.02 0.10 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.93 1jhk s THR 182 N 0.81 3.09 0.24 5.04 2.01 0.51 0.37 115.64 127.71 1jhk s THR 182 Ca -0.07 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.30 1jhk s THR 182 Cb -0.11 -2.43 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 1jhk s THR 182 CO -0.02 0.39 -0.01 0.68 -0.69 0.00 0.00 174.62 174.97 1jhk s VAL 183 N 1.42 1.16 0.27 3.82 -7.23 -0.48 -4.66 120.40 114.70 1jhk s VAL 183 Ca 0.05 -2.05 -0.29 0.00 -1.81 0.00 0.00 61.98 57.87 1jhk s VAL 183 Cb -0.15 -2.37 -0.10 0.00 0.56 0.00 0.00 36.38 34.33 1jhk s VAL 183 CO -0.05 -0.32 1.26 -2.84 -0.31 0.00 0.00 175.10 172.84 1jhk s PRO 184 N -3.84 4.43 0.65 4.82 0.02 -1.26 -0.26 135.00 139.56 1jhk s PRO 184 Ca 0.29 2.06 0.40 0.00 0.02 0.00 0.00 61.00 63.77 1jhk s PRO 184 Cb 0.05 -3.14 2.23 0.00 0.02 0.00 0.00 34.50 33.66 1jhk s PRO 184 CO 0.09 -0.12 2.31 0.77 -0.33 0.00 0.00 177.00 179.73 1jhk h SER 185 N 4.17 0.00 1.12 2.53 0.02 -1.17 0.47 113.55 120.70 1jhk h SER 185 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1jhk h SER 185 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1jhk h SER 185 CO 0.70 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.85 1jhk n SER 186 N -3.26 0.40 -0.09 3.07 3.41 -1.26 -3.58 113.62 112.31 1jhk n SER 186 Ca -0.03 0.55 -0.21 0.00 -0.26 0.00 0.00 58.87 58.92 1jhk n SER 186 Cb 0.10 -0.65 -0.12 0.00 -0.26 0.00 0.00 64.21 63.28 1jhk n SER 186 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1jhk n THR 187 N -1.89 1.59 -4.86 6.66 -1.04 0.16 -4.79 114.28 110.11 1jhk n THR 187 Ca 0.06 -0.51 -0.31 0.00 -2.04 0.00 0.00 64.05 61.25 1jhk n THR 187 Cb 0.35 -1.66 -0.14 0.00 -1.82 0.00 0.00 70.33 67.06 1jhk n THR 187 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1jhk s TRP 188 N -2.51 2.45 -1.77 -1.42 -0.00 -0.92 0.20 118.94 114.96 1jhk s TRP 188 Ca -0.31 -0.33 0.31 0.00 -0.00 0.00 0.00 56.10 55.77 1jhk s TRP 188 Cb 0.09 -1.45 1.71 0.00 -0.00 0.00 0.00 33.47 33.82 1jhk s TRP 188 CO 0.63 0.16 2.14 -0.35 -0.00 0.00 0.00 176.95 179.53 1jhk n PRO 189 N 1.82 0.77 -0.08 5.86 -0.04 -1.26 -4.50 135.00 137.57 1jhk n PRO 189 Ca -0.17 -0.03 -0.10 0.00 -0.04 0.00 0.00 63.50 63.17 1jhk n PRO 189 Cb 0.52 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 1jhk n PRO 189 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1jhk h SER 190 N 0.07 -1.28 -2.91 3.54 0.02 -1.86 -3.40 113.55 107.73 1jhk h SER 190 Ca 0.00 0.19 -0.63 0.00 -0.84 0.00 0.00 61.79 60.52 1jhk h SER 190 Cb 0.14 0.56 -0.06 0.00 0.14 0.00 0.00 62.40 63.18 1jhk h SER 190 CO 0.00 -0.38 -0.32 -1.61 -1.14 0.00 0.00 176.83 173.39 1jhk s GLU 191 N -5.91 3.70 0.28 3.45 2.02 0.52 -5.05 118.70 117.71 1jhk s GLU 191 Ca -0.15 0.14 -0.30 0.00 0.02 0.00 0.00 54.97 54.68 1jhk s GLU 191 Cb 0.11 -3.15 -0.11 0.00 0.10 0.00 0.00 34.13 31.08 1jhk s GLU 191 CO 0.66 0.69 1.56 0.99 0.02 0.00 0.00 175.26 179.17 1jhk s THR 192 N -1.16 2.22 -0.18 3.63 2.01 -1.26 -4.38 115.64 116.52 1jhk s THR 192 Ca 0.24 0.19 -0.01 0.00 0.31 0.00 0.00 61.69 62.42 1jhk s THR 192 Cb -0.14 -3.12 0.05 0.00 0.01 0.00 0.00 72.50 69.29 1jhk s THR 192 CO 0.12 0.03 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.36 1jhk s VAL 193 N 0.07 1.05 -0.01 3.82 1.01 -1.26 -4.97 120.40 120.10 1jhk s VAL 193 Ca 0.63 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.96 1jhk s VAL 193 Cb -0.46 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1jhk s VAL 193 CO 0.46 0.02 -0.17 -0.89 0.00 0.00 0.00 175.10 174.53 1jhk s THR 194 N 1.65 1.31 -0.08 3.92 2.01 -1.26 -0.07 115.64 123.11 1jhk s THR 194 Ca -0.01 -0.71 -0.04 0.00 0.31 0.00 0.00 61.69 61.25 1jhk s THR 194 Cb -0.16 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 1jhk s THR 194 CO -0.07 0.37 0.09 0.00 -0.69 0.00 0.00 174.62 174.32 1jhk s ASN 196 N -1.16 4.56 -0.21 0.00 -0.87 0.83 -1.76 114.94 116.34 1jhk s ASN 196 Ca 0.17 -0.90 -0.05 0.00 -1.57 0.00 0.00 52.86 50.50 1jhk s ASN 196 Cb -0.12 -1.71 -0.02 0.00 -0.02 0.00 0.00 41.25 39.38 1jhk s ASN 196 CO 0.06 -0.16 0.00 -0.69 -2.57 0.00 0.00 177.10 173.74 1jhk s VAL 197 N 1.35 3.89 -0.06 1.60 1.01 0.91 -1.28 120.40 127.81 1jhk s VAL 197 Ca -0.00 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.69 1jhk s VAL 197 Cb -0.17 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1jhk s VAL 197 CO -0.03 0.42 -0.18 0.00 0.00 0.00 0.00 175.10 175.31 1jhk s ALA 198 N 1.16 2.49 -0.48 5.51 0.00 -0.19 0.04 121.76 130.28 1jhk s ALA 198 Ca 0.03 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.02 1jhk s ALA 198 Cb -0.14 -0.89 0.14 0.00 0.00 0.00 0.00 23.12 22.23 1jhk s ALA 198 CO 0.01 0.47 0.29 -1.58 0.00 0.00 0.00 175.76 174.95 1jhk s HIS 199 N -0.41 2.24 0.27 0.00 2.46 -0.17 -1.70 115.29 117.96 1jhk s HIS 199 Ca 0.04 -2.62 -0.10 0.00 0.47 0.00 0.00 55.06 52.85 1jhk s HIS 199 Cb -0.12 -1.99 0.41 0.00 -0.13 0.00 0.00 32.58 30.75 1jhk s HIS 199 CO 0.02 -0.75 1.57 -1.35 -2.47 0.00 0.00 174.74 171.76 1jhk h PRO 200 N 6.38 -0.00 -0.89 2.88 0.11 -1.80 -1.08 132.00 137.59 1jhk h PRO 200 Ca 0.04 0.00 0.21 0.00 0.11 0.00 0.00 66.00 66.36 1jhk h PRO 200 Cb 0.90 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.88 1jhk h PRO 200 CO 0.53 -0.00 0.40 0.00 -0.21 0.00 0.00 178.00 178.71 1jhk h ALA 201 N 1.87 1.42 -0.18 -0.75 0.00 -1.91 0.16 119.26 119.87 1jhk h ALA 201 Ca 0.44 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1jhk h ALA 201 Cb 0.69 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1jhk h ALA 201 CO -0.99 -0.31 0.00 0.43 0.00 0.00 0.00 179.25 178.38 1jhk n SER 202 N -5.03 2.91 -3.79 0.00 7.64 -0.52 -4.94 113.62 109.91 1jhk n SER 202 Ca 0.22 -1.92 -0.23 0.00 1.01 0.00 0.00 58.87 57.95 1jhk n SER 202 Cb 0.63 -0.11 0.01 0.00 -1.01 0.00 0.00 64.21 63.74 1jhk n SER 202 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1jhk n SER 203 N 1.20 -0.92 -4.53 6.43 7.64 0.57 -4.96 113.62 119.05 1jhk n SER 203 Ca 0.17 -0.88 -0.28 0.00 1.01 0.00 0.00 58.87 58.89 1jhk n SER 203 Cb 0.55 -3.72 -0.10 0.00 -1.01 0.00 0.00 64.21 59.93 1jhk n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1jhk s THR 204 N -3.76 3.03 -0.14 0.44 2.01 -0.95 -5.00 115.64 111.26 1jhk s THR 204 Ca 0.01 -1.63 -0.06 0.00 0.31 0.00 0.00 61.69 60.32 1jhk s THR 204 Cb -0.01 -2.46 0.06 0.00 0.01 0.00 0.00 72.50 70.10 1jhk s THR 204 CO 0.84 -0.04 0.32 -0.54 -0.69 0.00 0.00 174.62 174.50 1jhk s LYS 205 N -2.59 0.25 0.00 4.92 1.02 -1.26 -1.00 119.74 121.08 1jhk s LYS 205 Ca 0.22 0.75 0.04 0.00 0.02 0.00 0.00 55.97 57.01 1jhk s LYS 205 Cb -0.09 0.01 -0.01 0.00 -0.52 0.00 0.00 37.83 37.21 1jhk s LYS 205 CO 0.13 -0.22 -0.14 0.08 -0.92 0.00 0.00 175.35 174.29 1jhk s VAL 206 N 1.90 1.10 -0.08 3.17 1.01 0.11 -4.99 120.40 122.62 1jhk s VAL 206 Ca -0.05 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1jhk s VAL 206 Cb -0.11 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.34 1jhk s VAL 206 CO -0.10 0.22 -0.18 -1.81 0.00 0.00 0.00 175.10 173.23 1jhk s ASP 207 N -0.56 2.40 -0.16 3.32 1.01 -1.26 -0.06 116.67 121.35 1jhk s ASP 207 Ca 0.04 -0.42 0.00 0.00 0.71 0.00 0.00 52.55 52.88 1jhk s ASP 207 Cb -0.06 -1.09 0.03 0.00 1.01 0.00 0.00 42.92 42.81 1jhk s ASP 207 CO 0.00 0.10 -0.12 -0.54 0.21 0.00 0.00 175.17 174.82 1jhk s LYS 208 N 0.50 2.08 0.17 8.23 -0.14 -0.72 -4.97 119.74 124.89 1jhk s LYS 208 Ca -0.16 -0.61 -0.30 0.00 -1.36 0.00 0.00 55.97 53.54 1jhk s LYS 208 Cb -0.17 -2.14 -0.07 0.00 -1.68 0.00 0.00 37.83 33.77 1jhk s LYS 208 CO 0.06 -0.31 1.03 0.21 -0.76 0.00 0.00 175.35 175.58 1jhk s LYS 209 N 1.49 4.67 -0.68 1.68 2.20 -1.26 -1.39 119.74 126.46 1jhk s LYS 209 Ca 0.03 1.60 -0.22 0.00 -0.36 0.00 0.00 55.97 57.02 1jhk s LYS 209 Cb -0.14 -3.30 0.08 0.00 -1.51 0.00 0.00 37.83 32.95 1jhk s LYS 209 CO -0.10 0.20 0.95 0.42 -0.36 0.00 0.00 175.35 176.46 1jhk s ILE 210 N -0.36 4.40 -0.16 5.43 -1.09 0.90 -4.87 121.20 125.46 1jhk s ILE 210 Ca 0.47 -0.52 -0.14 0.00 -2.23 0.00 0.00 60.65 58.22 1jhk s ILE 210 Cb -0.27 -4.68 -0.05 0.00 -1.58 0.00 0.00 42.46 35.89 1jhk s ILE 210 CO 0.33 -1.43 0.31 -0.69 -1.23 0.00 0.00 174.94 172.23 1jhk s VAL 211 N 3.82 5.29 0.62 2.92 1.01 -1.26 -4.71 120.40 128.10 1jhk s VAL 211 Ca 0.22 0.58 -0.19 0.00 0.00 0.00 0.00 61.98 62.60 1jhk s VAL 211 Cb -0.17 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1jhk s VAL 211 CO 0.08 0.39 1.29 -2.16 0.00 0.00 0.00 175.10 174.70 1jhk s PRO 212 N 0.46 2.71 0.00 2.72 0.04 -1.26 -4.84 135.00 134.83 1jhk s PRO 212 Ca 0.17 2.06 0.26 0.00 0.04 0.00 0.00 61.00 63.54 1jhk s PRO 212 Cb -0.13 -1.92 1.56 0.00 0.04 0.00 0.00 34.50 34.04 1jhk s PRO 212 CO 0.04 -1.48 1.91 0.54 0.04 0.00 0.00 177.00 178.06