#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkh s GLU 6 N 0.00 1.36 -0.30 6.28 0.41 -1.26 -5.08 118.70 120.11 1jkh s GLU 6 Ca 0.00 1.21 -0.07 0.00 -0.41 0.00 0.00 54.97 55.70 1jkh s GLU 6 Cb 0.00 -1.79 0.17 0.00 -1.78 0.00 0.00 34.13 30.73 1jkh s GLU 6 CO 0.00 -2.28 0.77 0.95 -0.49 0.00 0.00 175.26 174.21 1jkh s THR 7 N -2.78 -0.77 0.00 3.63 -4.23 -1.26 -4.71 115.64 105.52 1jkh s THR 7 Ca 0.64 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.85 1jkh s THR 7 Cb -0.20 -1.00 -0.05 0.00 1.34 0.00 0.00 72.50 72.60 1jkh s THR 7 CO 0.58 0.00 1.22 0.54 -0.54 0.00 0.00 174.62 176.42 1jkh s VAL 8 N 2.84 4.10 0.01 2.29 0.11 -1.26 -4.90 120.40 123.58 1jkh s VAL 8 Ca 0.09 1.47 -0.30 0.00 -2.93 0.00 0.00 61.98 60.31 1jkh s VAL 8 Cb -0.12 -3.95 -0.06 0.00 -1.53 0.00 0.00 36.38 30.72 1jkh s VAL 8 CO -0.18 0.05 1.53 -2.16 -3.33 0.00 0.00 175.10 171.01 1jkh s PRO 9 N 1.75 4.23 -0.04 1.54 0.04 -1.26 -4.47 135.00 136.79 1jkh s PRO 9 Ca 0.58 2.12 0.03 0.00 0.04 0.00 0.00 61.00 63.77 1jkh s PRO 9 Cb -0.27 -3.67 -0.03 0.00 0.04 0.00 0.00 34.50 30.57 1jkh s PRO 9 CO 0.26 -0.68 -0.13 0.08 0.04 0.00 0.00 177.00 176.56 1jkh s VAL 10 N 2.83 3.19 0.25 -0.36 1.01 -1.26 -5.11 120.40 120.96 1jkh s VAL 10 Ca 0.69 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.99 1jkh s VAL 10 Cb -0.34 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1jkh s VAL 10 CO 0.28 0.56 0.00 -0.54 0.00 0.00 0.00 175.10 175.41 1jkh s LYS 11 N -0.84 1.42 0.37 2.72 1.02 -1.26 -4.69 119.74 118.48 1jkh s LYS 11 Ca 0.12 -1.73 -0.13 0.00 0.02 0.00 0.00 55.97 54.25 1jkh s LYS 11 Cb -0.11 -0.71 -0.08 0.00 -0.52 0.00 0.00 37.83 36.42 1jkh s LYS 11 CO 0.01 -0.10 0.76 -0.51 -0.92 0.00 0.00 175.35 174.60 1jkh s LEU 12 N -3.35 3.93 0.18 3.17 1.43 -1.26 -1.38 118.68 121.39 1jkh s LEU 12 Ca 0.30 1.22 -0.33 0.00 -1.03 0.00 0.00 54.13 54.29 1jkh s LEU 12 Cb 0.06 -4.07 -0.15 0.00 0.03 0.00 0.00 46.19 42.06 1jkh s LEU 12 CO 0.10 -0.32 1.31 0.29 0.23 0.00 0.00 176.35 177.97 1jkh n LYS 13 N -0.88 1.55 -1.19 1.70 5.02 0.68 -4.57 118.16 120.46 1jkh n LYS 13 Ca 0.03 0.55 -0.47 0.00 -2.02 0.00 0.00 58.31 56.41 1jkh n LYS 13 Cb 0.54 -2.15 -0.06 0.00 -0.02 0.00 0.00 35.03 33.33 1jkh n LYS 13 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1jkh n PRO 14 N 2.14 0.00 -0.21 1.97 -0.02 -1.26 -0.85 135.00 136.77 1jkh n PRO 14 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1jkh n PRO 14 Cb 0.26 -1.15 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 1jkh n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jkh n GLY 15 N 1.48 1.94 3.88 -1.23 0.00 -1.26 -5.00 105.19 105.00 1jkh n GLY 15 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1jkh n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jkh s MET 16 N -0.06 3.22 0.28 1.61 -1.94 -0.03 -5.10 119.30 117.29 1jkh s MET 16 Ca 0.00 0.58 0.04 0.00 -1.71 0.00 0.00 55.69 54.60 1jkh s MET 16 Cb 0.00 -2.06 -0.06 0.00 2.01 0.00 0.00 34.83 34.72 1jkh s MET 16 CO 0.00 -0.80 0.03 0.34 -0.01 0.00 0.00 175.02 174.58 1jkh s ASP 17 N -4.27 2.15 0.80 3.03 2.15 -1.26 -4.88 116.67 114.39 1jkh s ASP 17 Ca 0.56 -1.31 -0.13 0.00 0.43 0.00 0.00 52.55 52.10 1jkh s ASP 17 Cb -0.11 -0.04 0.08 0.00 -0.30 0.00 0.00 42.92 42.55 1jkh s ASP 17 CO 0.53 -0.56 1.20 0.61 -0.17 0.00 0.00 175.17 176.78 1jkh n GLY 18 N -0.57 0.00 3.76 2.66 0.00 -1.26 -4.97 105.19 104.81 1jkh n GLY 18 Ca -0.03 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 1jkh n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jkh s PRO 19 N -4.08 4.57 -0.48 1.61 0.04 -1.26 -4.95 135.00 130.46 1jkh s PRO 19 Ca 0.74 1.76 0.08 0.00 0.04 0.00 0.00 61.00 63.62 1jkh s PRO 19 Cb -0.30 -3.10 0.35 0.00 0.04 0.00 0.00 34.50 31.50 1jkh s PRO 19 CO 0.50 0.17 0.86 1.63 0.04 0.00 0.00 177.00 180.20 1jkh n LYS 20 N 1.01 2.22 -3.20 4.56 5.02 -1.25 -0.38 118.16 126.14 1jkh n LYS 20 Ca -0.00 -4.17 -0.39 0.00 -2.02 0.00 0.00 58.31 51.73 1jkh n LYS 20 Cb 0.45 -1.98 -0.06 0.00 -0.02 0.00 0.00 35.03 33.43 1jkh n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1jkh s VAL 21 N -3.61 4.95 0.43 -0.18 1.01 -0.57 -4.89 120.40 117.54 1jkh s VAL 21 Ca 0.44 1.23 -0.22 0.00 0.00 0.00 0.00 61.98 63.43 1jkh s VAL 21 Cb 0.32 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 1jkh s VAL 21 CO -0.11 0.39 1.03 -1.59 0.00 0.00 0.00 175.10 174.82 1jkh s LYS 22 N -0.03 4.07 -0.19 2.72 -2.85 -1.26 -4.13 119.74 118.07 1jkh s LYS 22 Ca 0.31 1.41 -0.25 0.00 -1.00 0.00 0.00 55.97 56.44 1jkh s LYS 22 Cb -0.18 -2.36 -0.01 0.00 -2.06 0.00 0.00 37.83 33.22 1jkh s LYS 22 CO 0.17 -0.21 0.83 -1.14 0.10 0.00 0.00 175.35 175.10 1jkh s GLN 23 N -2.80 4.26 0.75 1.78 2.00 -1.26 -4.65 119.66 119.74 1jkh s GLN 23 Ca 0.61 0.99 -0.11 0.00 -2.00 0.00 0.00 55.36 54.84 1jkh s GLN 23 Cb -0.18 -3.60 0.04 0.00 0.80 0.00 0.00 33.01 30.07 1jkh s GLN 23 CO 0.23 -0.39 1.08 1.67 -0.50 0.00 0.00 175.29 177.39 1jkh s TRP 24 N 2.37 2.98 0.41 1.67 -2.14 -1.26 -4.99 118.94 117.97 1jkh s TRP 24 Ca 0.37 1.22 -0.26 0.00 2.66 0.00 0.00 56.10 60.10 1jkh s TRP 24 Cb -0.16 -3.04 -0.08 0.00 -3.10 0.00 0.00 33.47 27.09 1jkh s TRP 24 CO 0.11 -1.53 1.25 -1.25 -2.66 0.00 0.00 176.95 172.87 1jkh s PRO 25 N -5.14 3.98 0.28 3.25 0.04 -1.26 -4.98 135.00 131.18 1jkh s PRO 25 Ca 0.60 2.04 0.11 0.00 0.04 0.00 0.00 61.00 63.79 1jkh s PRO 25 Cb -0.14 -2.72 -0.05 0.00 0.04 0.00 0.00 34.50 31.63 1jkh s PRO 25 CO 0.54 -0.44 -0.14 -0.51 0.04 0.00 0.00 177.00 176.50 1jkh s LEU 26 N -2.47 2.77 0.54 -3.56 1.43 -1.26 -5.13 118.68 111.00 1jkh s LEU 26 Ca 0.57 -0.94 -0.13 0.00 -1.03 0.00 0.00 54.13 52.60 1jkh s LEU 26 Cb -0.35 -1.26 -0.06 0.00 0.03 0.00 0.00 46.19 44.55 1jkh s LEU 26 CO 0.45 0.00 0.97 0.42 0.23 0.00 0.00 176.35 178.42 1jkh s THR 27 N -2.47 4.65 0.14 5.49 -4.23 -1.26 -4.88 115.64 113.09 1jkh s THR 27 Ca 0.31 0.97 -0.27 0.00 -1.18 0.00 0.00 61.69 61.51 1jkh s THR 27 Cb -0.05 -3.79 -0.02 0.00 1.34 0.00 0.00 72.50 69.99 1jkh s THR 27 CO 0.17 -0.86 1.59 -0.08 -0.54 0.00 0.00 174.62 174.90 1jkh h GLU 28 N 0.44 -0.39 -0.78 3.99 4.81 -2.00 -0.40 114.58 120.25 1jkh h GLU 28 Ca -0.46 0.03 0.18 0.00 -0.13 0.00 0.00 59.36 58.98 1jkh h GLU 28 Cb 1.19 0.09 -0.12 0.00 0.63 0.00 0.00 28.75 30.54 1jkh h GLU 28 CO 0.62 -0.26 0.19 1.49 -0.73 0.00 0.00 179.01 180.32 1jkh h GLU 29 N -0.40 0.25 0.00 1.92 4.81 -2.00 0.15 114.58 119.31 1jkh h GLU 29 Ca 0.11 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.21 1jkh h GLU 29 Cb 0.59 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 1jkh h GLU 29 CO -0.45 0.16 -0.53 0.87 -0.73 0.00 0.00 179.01 178.34 1jkh h LYS 30 N 0.26 0.00 0.20 1.92 1.57 -1.71 -2.60 116.57 116.21 1jkh h LYS 30 Ca 0.45 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.22 1jkh h LYS 30 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1jkh h LYS 30 CO -0.55 0.53 -0.10 0.82 -0.57 0.00 0.00 179.45 179.58 1jkh h ILE 31 N 0.00 0.81 -0.44 1.86 2.04 0.83 -2.63 117.51 119.98 1jkh h ILE 31 Ca -0.01 -0.96 0.09 0.00 1.00 0.00 0.00 64.86 64.98 1jkh h ILE 31 Cb 0.97 1.31 -0.10 0.00 -0.74 0.00 0.00 36.82 38.26 1jkh h ILE 31 CO 0.07 0.19 -0.30 0.11 0.00 0.00 0.00 178.15 178.21 1jkh h LYS 32 N -0.82 -0.20 -0.95 2.37 1.57 -0.91 0.07 116.57 117.70 1jkh h LYS 32 Ca -0.03 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.89 1jkh h LYS 32 Cb 0.52 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.79 1jkh h LYS 32 CO 0.05 -0.14 0.60 0.00 -0.57 0.00 0.00 179.45 179.39 1jkh h ALA 33 N 0.89 1.65 0.00 3.86 0.00 -1.53 -1.42 119.26 122.71 1jkh h ALA 33 Ca 0.19 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1jkh h ALA 33 Cb 0.53 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1jkh h ALA 33 CO -0.56 0.10 -0.57 -0.07 0.00 0.00 0.00 179.25 178.15 1jkh h LEU 34 N 0.87 0.00 -0.12 0.00 3.38 -0.65 -1.21 115.31 117.57 1jkh h LEU 34 Ca 0.47 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.34 1jkh h LEU 34 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1jkh h LEU 34 CO -0.24 0.57 -0.34 0.58 0.09 0.00 0.00 178.44 179.10 1jkh h VAL 35 N 0.00 1.38 0.17 1.22 2.07 -0.13 -0.29 116.25 120.67 1jkh h VAL 35 Ca -0.01 -1.65 -0.00 0.00 0.82 0.00 0.00 66.70 65.87 1jkh h VAL 35 Cb 1.02 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 1jkh h VAL 35 CO 0.07 0.49 -0.26 -0.33 0.02 0.00 0.00 177.57 177.56 1jkh h GLU 36 N 0.04 -0.44 -0.69 1.57 5.08 -1.24 -1.36 114.58 117.53 1jkh h GLU 36 Ca -0.01 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.48 1jkh h GLU 36 Cb 0.96 0.10 -0.11 0.00 0.50 0.00 0.00 28.75 30.20 1jkh h GLU 36 CO 0.07 -0.29 -0.45 0.82 -1.00 0.00 0.00 179.01 178.16 1jkh h ILE 37 N -0.46 0.06 -0.32 3.13 2.04 -1.24 -1.62 117.51 119.11 1jkh h ILE 37 Ca -0.02 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 1jkh h ILE 37 Cb 0.42 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1jkh h ILE 37 CO -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 178.15 178.03 1jkh h THR 39 N 0.48 1.24 0.75 0.00 2.02 -0.30 0.86 112.91 117.96 1jkh h THR 39 Ca 0.10 -0.61 -0.04 0.00 0.77 0.00 0.00 66.41 66.64 1jkh h THR 39 Cb 0.37 0.17 0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1jkh h THR 39 CO 0.02 0.27 -0.36 -0.08 0.37 0.00 0.00 175.52 175.73 1jkh h GLU 40 N 1.12 -0.98 -0.08 6.66 4.22 -0.84 -1.27 114.58 123.42 1jkh h GLU 40 Ca 0.28 0.07 0.02 0.00 0.08 0.00 0.00 59.36 59.81 1jkh h GLU 40 Cb 0.04 0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1jkh h GLU 40 CO -0.04 -0.64 0.12 0.52 -2.18 0.00 0.00 179.01 176.79 1jkh h MET 41 N -1.08 0.00 -0.02 1.92 2.86 -1.20 -0.69 114.93 116.72 1jkh h MET 41 Ca -0.10 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.36 1jkh h MET 41 Cb 0.79 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.46 1jkh h MET 41 CO 0.17 0.00 -0.66 1.49 1.06 0.00 0.00 176.91 178.97 1jkh h GLU 42 N 0.00 0.49 -0.74 1.72 4.81 -0.34 0.13 114.58 120.65 1jkh h GLU 42 Ca 0.04 -0.50 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 1jkh h GLU 42 Cb 0.27 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 1jkh h GLU 42 CO -0.00 1.14 0.38 0.87 -0.73 0.00 0.00 179.01 180.66 1jkh h LYS 43 N 0.04 1.03 -0.17 1.92 1.79 0.00 -2.22 116.57 118.96 1jkh h LYS 43 Ca -0.08 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 1jkh h LYS 43 Cb 1.35 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 1jkh h LYS 43 CO 0.13 0.78 0.00 0.39 -1.08 0.00 0.00 179.45 179.67 1jkh n GLU 44 N -4.34 1.38 -0.48 3.15 1.02 -0.53 -4.90 120.64 115.94 1jkh n GLU 44 Ca 0.07 -0.59 0.00 0.00 -0.02 0.00 0.00 57.16 56.62 1jkh n GLU 44 Cb 0.12 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1jkh n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jkh n GLY 45 N 0.76 1.40 0.37 0.62 0.00 -0.83 -4.88 105.19 102.62 1jkh n GLY 45 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.12 1jkh n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jkh h LYS 46 N 1.89 0.99 -4.71 1.61 1.57 -0.98 -3.42 116.57 113.51 1jkh h LYS 46 Ca 0.00 -0.06 -0.29 0.00 -1.87 0.00 0.00 60.65 58.43 1jkh h LYS 46 Cb 0.00 -0.22 -0.15 0.00 0.08 0.00 0.00 32.23 31.94 1jkh h LYS 46 CO 0.00 0.66 -0.61 0.96 -0.57 0.00 0.00 179.45 179.89 1jkh s ILE 47 N -5.91 0.20 -0.10 1.86 -4.36 -0.96 -0.96 121.20 110.97 1jkh s ILE 47 Ca -0.11 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.17 1jkh s ILE 47 Cb 0.20 -2.55 0.03 0.00 1.25 0.00 0.00 42.46 41.39 1jkh s ILE 47 CO 0.80 0.00 0.30 -0.44 0.24 0.00 0.00 174.94 175.84 1jkh s SER 48 N -3.23 -0.30 0.59 4.36 0.01 -0.97 -4.38 113.70 109.77 1jkh s SER 48 Ca 0.38 0.56 -0.19 0.00 1.31 0.00 0.00 55.95 58.01 1jkh s SER 48 Cb 0.07 0.59 -0.04 0.00 0.21 0.00 0.00 66.02 66.86 1jkh s SER 48 CO 0.13 -0.14 1.23 -0.54 0.41 0.00 0.00 173.24 174.33 1jkh s LYS 49 N 0.01 2.96 0.40 12.44 1.02 -1.26 -2.10 119.74 133.22 1jkh s LYS 49 Ca -0.01 1.89 0.06 0.00 0.02 0.00 0.00 55.97 57.93 1jkh s LYS 49 Cb -0.02 -1.96 -0.07 0.00 -0.52 0.00 0.00 37.83 35.25 1jkh s LYS 49 CO 0.01 -1.23 0.02 0.96 -0.92 0.00 0.00 175.35 174.18 1jkh s ILE 50 N -1.54 1.85 0.19 2.17 -4.36 -0.46 -4.87 121.20 114.19 1jkh s ILE 50 Ca 0.77 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 59.18 1jkh s ILE 50 Cb -0.32 -2.94 0.03 0.00 1.25 0.00 0.00 42.46 40.49 1jkh s ILE 50 CO 0.35 0.00 0.27 0.61 0.24 0.00 0.00 174.94 176.41 1jkh n GLY 51 N -0.95 1.52 0.11 6.27 0.00 -1.26 -4.81 105.19 106.08 1jkh n GLY 51 Ca -0.05 -2.10 0.13 0.00 0.00 0.00 0.00 46.02 44.00 1jkh n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jkh n PRO 52 N -1.45 0.27 0.21 1.61 -0.04 -1.26 -3.15 135.00 131.19 1jkh n PRO 52 Ca 0.05 0.24 0.15 0.00 -0.04 0.00 0.00 63.50 63.90 1jkh n PRO 52 Cb 0.18 -1.82 0.65 0.00 -0.04 0.00 0.00 33.50 32.47 1jkh n PRO 52 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1jkh h GLU 53 N 0.00 0.00 -5.31 0.54 9.09 -2.04 -3.37 114.58 113.49 1jkh h GLU 53 Ca 0.00 0.00 -0.63 0.00 0.05 0.00 0.00 59.36 58.78 1jkh h GLU 53 Cb 0.72 0.00 -0.14 0.00 -1.65 0.00 0.00 28.75 27.68 1jkh h GLU 53 CO 0.00 0.00 -0.01 1.21 0.05 0.00 0.00 179.01 180.26 1jkh s ASN 54 N -4.87 6.37 0.00 3.06 3.84 -1.19 -4.94 114.94 117.22 1jkh s ASN 54 Ca 0.02 0.20 0.22 0.00 0.21 0.00 0.00 52.86 53.51 1jkh s ASN 54 Cb 0.09 -2.28 0.10 0.00 -0.55 0.00 0.00 41.25 38.61 1jkh s ASN 54 CO 0.43 -0.42 1.15 -0.81 -2.79 0.00 0.00 177.10 174.66 1jkh n PRO 55 N 5.71 1.81 -1.91 0.43 -0.04 -1.26 -4.93 135.00 134.80 1jkh n PRO 55 Ca -0.04 -1.49 -0.30 0.00 -0.04 0.00 0.00 63.50 61.63 1jkh n PRO 55 Cb 0.49 -1.44 0.04 0.00 -0.04 0.00 0.00 33.50 32.55 1jkh n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1jkh s TYR 56 N -2.11 3.33 -0.24 0.54 2.02 -1.26 -4.82 117.35 114.81 1jkh s TYR 56 Ca 0.23 1.04 -0.27 0.00 -0.37 0.00 0.00 57.07 57.70 1jkh s TYR 56 Cb 0.18 -3.04 0.13 0.00 -0.40 0.00 0.00 41.96 38.83 1jkh s TYR 56 CO 0.40 -1.15 1.03 1.21 -1.57 0.00 0.00 175.55 175.47 1jkh s ASN 57 N -4.35 -0.41 0.01 2.29 3.84 0.49 -4.73 114.94 112.08 1jkh s ASN 57 Ca 0.58 0.67 0.04 0.00 0.21 0.00 0.00 52.86 54.36 1jkh s ASN 57 Cb -0.11 0.64 -0.01 0.00 -0.55 0.00 0.00 41.25 41.22 1jkh s ASN 57 CO 0.52 -0.22 -0.13 -0.89 -2.79 0.00 0.00 177.10 173.59 1jkh s THR 58 N -0.26 1.05 0.40 -5.21 2.01 0.43 -1.51 115.64 112.54 1jkh s THR 58 Ca 0.02 -0.73 -0.25 0.00 0.31 0.00 0.00 61.69 61.04 1jkh s THR 58 Cb -0.03 -0.91 -0.09 0.00 0.01 0.00 0.00 72.50 71.48 1jkh s THR 58 CO -0.04 0.17 1.11 -2.84 -0.69 0.00 0.00 174.62 172.34 1jkh s PRO 59 N -0.64 4.11 0.04 4.92 0.02 -1.26 -3.92 135.00 138.27 1jkh s PRO 59 Ca 0.04 1.69 -0.01 0.00 0.02 0.00 0.00 61.00 62.74 1jkh s PRO 59 Cb -0.06 -2.63 -0.03 0.00 0.02 0.00 0.00 34.50 31.79 1jkh s PRO 59 CO 0.00 -0.23 -0.02 0.14 -0.33 0.00 0.00 177.00 176.56 1jkh s VAL 60 N -1.51 0.18 0.00 3.83 -7.23 -1.26 -1.59 120.40 112.82 1jkh s VAL 60 Ca 0.57 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 1jkh s VAL 60 Cb -0.27 -1.05 0.00 0.00 0.56 0.00 0.00 36.38 35.62 1jkh s VAL 60 CO 0.34 -0.81 0.00 2.22 -0.31 0.00 0.00 175.10 176.54 1jkh n PHE 61 N 0.65 -0.41 -4.06 2.82 -0.00 0.88 -4.92 117.46 112.43 1jkh n PHE 61 Ca -0.18 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 57.14 1jkh n PHE 61 Cb 0.59 0.00 -0.13 0.00 -0.00 0.00 0.00 39.48 39.94 1jkh n PHE 61 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1jkh s ALA 62 N -1.27 0.36 0.28 1.98 0.00 -1.26 -0.56 121.76 121.29 1jkh s ALA 62 Ca 0.00 -0.39 0.04 0.00 0.00 0.00 0.00 51.96 51.62 1jkh s ALA 62 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 1jkh s ALA 62 CO 0.00 0.02 0.16 0.44 0.00 0.00 0.00 175.76 176.38 1jkh n ILE 63 N 2.39 0.00 -3.42 0.00 -5.35 0.48 -4.90 119.36 108.56 1jkh n ILE 63 Ca -0.17 -1.81 -0.21 0.00 -0.27 0.00 0.00 62.75 60.28 1jkh n ILE 63 Cb 0.57 0.77 -0.10 0.00 -1.74 0.00 0.00 39.64 39.14 1jkh n ILE 63 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1jkh s LYS 64 N -3.10 0.48 -0.42 6.28 1.02 -1.26 0.46 119.74 123.19 1jkh s LYS 64 Ca 0.23 -0.75 -0.29 0.00 0.02 0.00 0.00 55.97 55.17 1jkh s LYS 64 Cb 0.01 -0.90 0.02 0.00 -0.52 0.00 0.00 37.83 36.44 1jkh s LYS 64 CO 0.16 -1.14 1.22 -1.59 -0.92 0.00 0.00 175.35 173.08 1jkh s LYS 65 N 1.66 3.75 -0.02 1.68 -2.85 -1.26 -4.65 119.74 118.06 1jkh s LYS 65 Ca 0.14 0.80 -0.01 0.00 -1.00 0.00 0.00 55.97 55.90 1jkh s LYS 65 Cb -0.17 -3.91 0.00 0.00 -2.06 0.00 0.00 37.83 31.69 1jkh s LYS 65 CO -0.14 -1.34 0.01 1.63 0.10 0.00 0.00 175.35 175.62 1jkh n LYS 66 N 7.72 -1.17 -2.92 1.78 4.76 -1.26 -4.55 118.16 122.51 1jkh n LYS 66 Ca 0.13 1.24 -0.09 0.00 -2.87 0.00 0.00 58.31 56.72 1jkh n LYS 66 Cb 0.48 -1.24 0.01 0.00 -1.84 0.00 0.00 35.03 32.44 1jkh n LYS 66 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1jkh n ASP 67 N 2.00 -7.77 -3.69 4.39 10.43 -1.26 -5.07 116.55 115.57 1jkh n ASP 67 Ca -0.02 0.41 -0.11 0.00 2.57 0.00 0.00 54.79 57.64 1jkh n ASP 67 Cb 0.21 -5.14 -0.09 0.00 1.84 0.00 0.00 41.12 37.94 1jkh n ASP 67 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1jkh s SER 68 N -2.59 -0.60 -0.04 -2.24 0.01 -1.26 -5.02 113.70 101.95 1jkh s SER 68 Ca 0.23 1.08 -0.04 0.00 1.31 0.00 0.00 55.95 58.53 1jkh s SER 68 Cb -0.06 1.03 -0.27 0.00 0.21 0.00 0.00 66.02 66.92 1jkh s SER 68 CO 0.78 -0.20 0.69 0.74 0.41 0.00 0.00 173.24 175.66 1jkh h THR 69 N 4.83 0.96 -3.60 1.44 2.02 -1.98 -3.46 112.91 113.11 1jkh h THR 69 Ca -0.31 -2.63 -0.51 0.00 0.77 0.00 0.00 66.41 63.73 1jkh h THR 69 Cb 1.19 2.67 -0.01 0.00 -1.74 0.00 0.00 68.15 70.26 1jkh h THR 69 CO 0.21 0.81 0.42 -1.59 0.37 0.00 0.00 175.52 175.74 1jkh s LYS 70 N -2.59 4.67 0.65 6.66 0.00 -1.26 -5.05 119.74 122.82 1jkh s LYS 70 Ca -0.13 1.60 -0.11 0.00 0.00 0.00 0.00 55.97 57.33 1jkh s LYS 70 Cb 0.07 -3.31 -0.02 0.00 0.00 0.00 0.00 37.83 34.57 1jkh s LYS 70 CO 0.83 0.19 1.05 -1.58 0.00 0.00 0.00 175.35 175.85 1jkh s TRP 71 N -0.34 3.47 -0.05 1.78 0.52 -1.26 -4.77 118.94 118.29 1jkh s TRP 71 Ca 0.47 1.25 0.03 0.00 0.02 0.00 0.00 56.10 57.87 1jkh s TRP 71 Cb -0.27 -2.83 0.01 0.00 -1.15 0.00 0.00 33.47 29.23 1jkh s TRP 71 CO 0.33 -0.90 -0.13 0.50 0.02 0.00 0.00 176.95 176.77 1jkh s ARG 72 N -5.20 1.53 0.13 4.98 3.52 0.17 -4.94 118.95 119.14 1jkh s ARG 72 Ca 0.56 -0.44 -0.30 0.00 -0.13 0.00 0.00 55.73 55.42 1jkh s ARG 72 Cb -0.11 -1.32 -0.07 0.00 -1.56 0.00 0.00 34.95 31.89 1jkh s ARG 72 CO 0.54 0.12 1.17 0.21 -0.81 0.00 0.00 175.30 176.53 1jkh s LYS 73 N 0.35 4.49 -0.08 5.12 2.20 -1.26 -0.39 119.74 130.18 1jkh s LYS 73 Ca -0.08 1.79 0.01 0.00 -0.36 0.00 0.00 55.97 57.33 1jkh s LYS 73 Cb -0.13 -3.29 0.02 0.00 -1.51 0.00 0.00 37.83 32.92 1jkh s LYS 73 CO 0.02 -0.12 -0.09 -1.17 -0.36 0.00 0.00 175.35 173.64 1jkh s LEU 74 N 0.26 1.42 -0.12 5.43 2.96 0.27 -4.91 118.68 123.99 1jkh s LEU 74 Ca 0.54 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 1jkh s LEU 74 Cb -0.30 -0.76 -0.01 0.00 0.50 0.00 0.00 46.19 45.62 1jkh s LEU 74 CO 0.33 -0.03 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.46 1jkh s VAL 75 N 1.06 2.66 -1.19 1.68 1.01 -1.26 -0.08 120.40 124.28 1jkh s VAL 75 Ca -0.08 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 60.96 1jkh s VAL 75 Cb -0.14 -2.08 0.16 0.00 0.00 0.00 0.00 36.38 34.31 1jkh s VAL 75 CO -0.01 0.54 1.42 -0.62 0.00 0.00 0.00 175.10 176.43 1jkh s ASP 76 N 0.36 7.02 -0.02 3.32 3.68 -0.62 -4.84 116.67 125.57 1jkh s ASP 76 Ca -0.14 -2.87 0.03 0.00 2.13 0.00 0.00 52.55 51.70 1jkh s ASP 76 Cb -0.17 -2.41 0.10 0.00 -1.45 0.00 0.00 42.92 38.99 1jkh s ASP 76 CO 0.07 -0.80 0.88 0.49 0.13 0.00 0.00 175.17 175.93 1jkh n PHE 77 N 5.91 0.22 -0.24 -5.34 3.01 -1.26 -4.41 117.46 115.35 1jkh n PHE 77 Ca 0.36 -0.09 -0.01 0.00 1.01 0.00 0.00 57.45 58.73 1jkh n PHE 77 Cb 0.44 -0.08 0.06 0.00 -0.01 0.00 0.00 39.48 39.88 1jkh n PHE 77 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jkh h ARG 78 N 0.59 -0.05 -0.44 -1.08 3.08 -1.88 0.69 114.38 115.29 1jkh h ARG 78 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 1jkh h ARG 78 Cb 0.42 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1jkh h ARG 78 CO 0.03 -0.03 -0.08 0.93 -1.07 0.00 0.00 179.97 179.75 1jkh h GLU 79 N -0.05 0.78 -0.46 0.04 4.39 -1.99 -1.13 114.58 116.16 1jkh h GLU 79 Ca 0.31 -0.24 -0.13 0.00 0.34 0.00 0.00 59.36 59.64 1jkh h GLU 79 Cb 0.53 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1jkh h GLU 79 CO -0.73 0.84 -0.22 1.25 -1.16 0.00 0.00 179.01 179.00 1jkh h LEU 80 N 0.71 0.98 -0.45 1.33 5.85 -1.18 -2.76 115.31 119.80 1jkh h LEU 80 Ca 0.13 -0.40 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 1jkh h LEU 80 Cb 0.55 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1jkh h LEU 80 CO 0.03 1.17 0.13 0.78 -0.34 0.00 0.00 178.44 180.21 1jkh h ASN 81 N 0.80 0.67 0.26 1.25 2.35 0.46 -0.60 115.58 120.77 1jkh h ASN 81 Ca 0.10 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1jkh h ASN 81 Cb 0.79 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1jkh h ASN 81 CO 0.07 0.71 0.00 0.29 -1.65 0.00 0.00 177.43 176.85 1jkh n LYS 82 N -4.53 0.09 0.00 0.81 5.02 -0.45 -1.73 118.16 117.37 1jkh n LYS 82 Ca 0.01 0.49 0.05 0.00 -2.02 0.00 0.00 58.31 56.83 1jkh n LYS 82 Cb 0.20 -1.74 0.01 0.00 -0.02 0.00 0.00 35.03 33.47 1jkh n LYS 82 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1jkh n ARG 83 N -1.93 1.83 -3.17 1.97 1.74 -0.58 -4.95 116.66 111.58 1jkh n ARG 83 Ca 0.01 -0.70 -0.39 0.00 -0.77 0.00 0.00 57.85 56.00 1jkh n ARG 83 Cb 0.09 -1.11 -0.06 0.00 -1.02 0.00 0.00 32.46 30.36 1jkh n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1jkh s THR 84 N -1.33 4.60 0.98 0.55 2.01 -0.34 -0.23 115.64 121.88 1jkh s THR 84 Ca 0.09 1.38 -0.15 0.00 0.31 0.00 0.00 61.69 63.33 1jkh s THR 84 Cb 0.09 -3.98 0.01 0.00 0.01 0.00 0.00 72.50 68.63 1jkh s THR 84 CO 0.25 0.52 0.10 0.00 -0.69 0.00 0.00 174.62 174.80 1jkh n GLN 85 N 1.61 -0.41 -2.22 4.92 10.64 -0.48 -4.51 117.38 126.93 1jkh n GLN 85 Ca -0.08 -0.09 -0.26 0.00 -1.83 0.00 0.00 57.00 54.74 1jkh n GLN 85 Cb 0.50 -1.67 0.08 0.00 -0.86 0.00 0.00 30.24 28.29 1jkh n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1jkh s ASP 86 N -1.80 4.61 0.00 2.61 -0.00 -1.26 -4.94 116.67 115.89 1jkh s ASP 86 Ca 0.53 0.35 -0.00 0.00 -0.00 0.00 0.00 52.55 53.43 1jkh s ASP 86 Cb -0.18 -0.92 -0.00 0.00 -0.00 0.00 0.00 42.92 41.82 1jkh s ASP 86 CO 0.70 -1.73 -0.00 0.49 -0.00 0.00 0.00 175.17 174.63 1jkh n PHE 87 N -2.99 0.00 0.00 4.23 3.72 -1.26 -5.09 117.46 116.07 1jkh n PHE 87 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 1jkh n PHE 87 Cb 0.60 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 1jkh n PHE 87 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1jkh n TRP 88 N -2.56 0.00 -3.22 1.38 5.03 -1.26 -5.19 117.44 111.61 1jkh n TRP 88 Ca -0.00 0.00 -0.01 0.00 3.03 0.00 0.00 57.50 60.52 1jkh n TRP 88 Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 31.31 30.25 1jkh n TRP 88 CO 0.00 0.00 0.00 -1.58 -0.03 0.00 0.00 177.69 176.08 1jkh s HIS 96 N 0.00 -1.32 -0.43 -5.99 2.46 -1.26 -5.28 115.29 103.46 1jkh s HIS 96 Ca 0.00 1.36 -0.27 0.00 0.47 0.00 0.00 55.06 56.63 1jkh s HIS 96 Cb 0.00 0.35 -0.05 0.00 -0.13 0.00 0.00 32.58 32.75 1jkh s HIS 96 CO 0.00 -0.83 2.24 -1.25 -2.47 0.00 0.00 174.74 172.43 1jkh s PRO 97 N 2.74 2.49 0.09 2.88 0.04 -1.26 -4.78 135.00 137.21 1jkh s PRO 97 Ca 0.18 1.44 0.04 0.00 0.04 0.00 0.00 61.00 62.69 1jkh s PRO 97 Cb -0.15 -4.48 0.22 0.00 0.04 0.00 0.00 34.50 30.13 1jkh s PRO 97 CO -0.19 -2.84 0.98 0.00 0.04 0.00 0.00 177.00 174.98 1jkh n ALA 98 N 14.11 0.67 0.25 8.56 0.00 -1.26 0.19 120.51 143.03 1jkh n ALA 98 Ca 0.32 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.92 1jkh n ALA 98 Cb 0.52 -0.72 0.60 0.00 0.00 0.00 0.00 19.45 19.84 1jkh n ALA 98 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jkh h GLY 99 N 0.00 0.00 0.83 0.00 0.00 -1.91 -2.89 103.07 99.10 1jkh h GLY 99 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1jkh h GLY 99 CO 0.00 0.00 0.03 -2.00 0.00 0.00 0.00 176.54 174.57 1jkh h LEU 100 N 0.00 0.27 -0.49 3.11 5.85 -0.60 -3.15 115.31 120.30 1jkh h LEU 100 Ca -0.00 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 1jkh h LEU 100 Cb 0.56 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1jkh h LEU 100 CO 0.02 0.44 0.12 0.07 -0.34 0.00 0.00 178.44 178.76 1jkh h LYS 101 N 0.08 0.78 -2.99 1.25 2.10 -1.71 -3.29 116.57 112.78 1jkh h LYS 101 Ca 0.05 -0.18 -0.70 0.00 -2.00 0.00 0.00 60.65 57.82 1jkh h LYS 101 Cb 0.29 -0.10 -0.04 0.00 -0.90 0.00 0.00 32.23 31.47 1jkh h LYS 101 CO 0.00 0.75 3.19 1.63 -2.00 0.00 0.00 179.45 183.02 1jkh n LYS 102 N -4.48 3.93 -4.48 0.07 5.02 -1.10 -4.37 118.16 112.75 1jkh n LYS 102 Ca 0.01 -2.76 -0.23 0.00 -2.02 0.00 0.00 58.31 53.32 1jkh n LYS 102 Cb 0.22 -2.80 -0.10 0.00 -0.02 0.00 0.00 35.03 32.33 1jkh n LYS 102 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1jkh s LYS 103 N 1.01 1.73 -0.14 1.97 -0.14 -1.24 -4.92 119.74 118.01 1jkh s LYS 103 Ca 0.60 -1.98 -0.18 0.00 -1.36 0.00 0.00 55.97 53.05 1jkh s LYS 103 Cb 0.17 -0.86 -0.16 0.00 -1.68 0.00 0.00 37.83 35.31 1jkh s LYS 103 CO -0.07 -0.25 0.39 0.87 -0.76 0.00 0.00 175.35 175.54 1jkh h LYS 104 N 2.02 0.00 -5.43 1.68 1.57 -1.90 -3.23 116.57 111.28 1jkh h LYS 104 Ca -0.40 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 57.96 1jkh h LYS 104 Cb 1.25 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.36 1jkh h LYS 104 CO 0.68 0.65 -0.77 -1.12 -0.57 0.00 0.00 179.45 178.31 1jkh s SER 105 N -6.10 1.88 -0.03 0.86 0.01 -1.20 -3.97 113.70 105.14 1jkh s SER 105 Ca -0.15 -0.72 -0.01 0.00 1.31 0.00 0.00 55.95 56.38 1jkh s SER 105 Cb -0.00 -0.06 0.03 0.00 0.21 0.00 0.00 66.02 66.20 1jkh s SER 105 CO 0.45 -0.11 0.06 -0.69 0.41 0.00 0.00 173.24 173.36 1jkh s VAL 106 N -1.71 -0.09 0.04 3.43 1.01 -0.44 -1.89 120.40 120.75 1jkh s VAL 106 Ca 0.04 0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.37 1jkh s VAL 106 Cb -0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 1jkh s VAL 106 CO 0.03 0.13 0.01 -0.89 0.00 0.00 0.00 175.10 174.38 1jkh s THR 107 N 1.65 4.17 -0.04 3.92 2.01 0.15 -1.55 115.64 125.95 1jkh s THR 107 Ca -0.02 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.24 1jkh s THR 107 Cb -0.12 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 1jkh s THR 107 CO -0.03 0.26 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.45 1jkh s VAL 108 N -1.20 4.09 -0.01 3.82 1.01 -1.26 -0.12 120.40 126.72 1jkh s VAL 108 Ca 0.23 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1jkh s VAL 108 Cb -0.12 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1jkh s VAL 108 CO 0.15 0.49 -0.10 -0.76 0.00 0.00 0.00 175.10 174.88 1jkh s LEU 109 N -1.19 2.00 -0.57 3.92 1.43 0.28 -4.93 118.68 119.63 1jkh s LEU 109 Ca 0.16 -0.19 -0.19 0.00 -1.03 0.00 0.00 54.13 52.88 1jkh s LEU 109 Cb -0.11 -0.53 0.09 0.00 0.03 0.00 0.00 46.19 45.66 1jkh s LEU 109 CO 0.06 0.12 0.68 -0.62 0.23 0.00 0.00 176.35 176.82 1jkh s ASP 110 N -0.21 6.19 0.00 2.29 3.68 -1.26 0.32 116.67 127.69 1jkh s ASP 110 Ca 0.03 -1.26 0.23 0.00 2.13 0.00 0.00 52.55 53.68 1jkh s ASP 110 Cb -0.04 -2.30 0.57 0.00 -1.45 0.00 0.00 42.92 39.70 1jkh s ASP 110 CO -0.00 -1.05 1.49 1.33 0.13 0.00 0.00 175.17 177.07 1jkh n VAL 111 N 5.58 0.83 -0.33 1.11 0.24 -0.10 -4.62 118.33 121.04 1jkh n VAL 111 Ca -0.08 -0.92 0.22 0.00 -2.04 0.00 0.00 64.34 61.52 1jkh n VAL 111 Cb 0.43 0.67 0.42 0.00 -1.47 0.00 0.00 33.84 33.89 1jkh n VAL 111 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1jkh h GLY 112 N 4.37 1.70 -0.32 7.63 0.00 -1.90 0.16 103.07 114.71 1jkh h GLY 112 Ca 0.00 0.02 0.25 0.00 0.00 0.00 0.00 47.33 47.60 1jkh h GLY 112 CO 0.00 -0.64 0.43 -0.55 0.00 0.00 0.00 176.54 175.77 1jkh h ASP 113 N 0.01 0.35 -0.97 0.19 5.19 -1.85 -0.50 116.42 118.83 1jkh h ASP 113 Ca 0.71 0.17 0.31 0.00 -0.62 0.00 0.00 57.03 57.60 1jkh h ASP 113 Cb 1.68 0.15 -0.16 0.00 0.18 0.00 0.00 39.33 41.18 1jkh h ASP 113 CO -0.86 -0.05 0.43 0.00 -3.12 0.00 0.00 179.24 175.64 1jkh h ALA 114 N 1.76 1.74 -0.22 3.45 0.00 -0.84 -1.89 119.26 123.26 1jkh h ALA 114 Ca 0.61 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.75 1jkh h ALA 114 Cb 1.24 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1jkh h ALA 114 CO -0.57 -0.61 0.13 1.88 0.00 0.00 0.00 179.25 180.09 1jkh h TYR 115 N 0.21 0.28 -0.62 0.00 0.05 -1.25 -2.55 116.97 113.09 1jkh h TYR 115 Ca 0.69 0.00 0.16 0.00 0.05 0.00 0.00 58.73 59.64 1jkh h TYR 115 Cb 1.58 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 39.20 1jkh h TYR 115 CO -0.12 0.18 0.43 0.27 -1.05 0.00 0.00 178.16 177.88 1jkh h PHE 116 N 0.30 0.15 0.00 4.88 -5.15 -1.48 0.21 116.94 115.84 1jkh h PHE 116 Ca 0.08 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.83 1jkh h PHE 116 Cb -0.02 -0.05 -0.00 0.00 0.22 0.00 0.00 35.95 36.10 1jkh h PHE 116 CO 0.00 0.06 -0.12 0.77 -2.00 0.00 0.00 178.31 177.02 1jkh h SER 117 N 0.13 0.00 -3.27 -0.68 0.02 -1.62 -3.43 113.55 104.70 1jkh h SER 117 Ca 0.30 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.64 1jkh h SER 117 Cb 0.99 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.41 1jkh h SER 117 CO -0.04 0.12 -0.50 -0.69 -1.14 0.00 0.00 176.83 174.58 1jkh s VAL 118 N -4.64 5.30 0.30 2.27 1.01 0.05 -5.03 120.40 119.66 1jkh s VAL 118 Ca -0.04 0.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.82 1jkh s VAL 118 Cb 0.15 -3.41 -0.10 0.00 0.00 0.00 0.00 36.38 33.03 1jkh s VAL 118 CO 0.65 0.45 0.96 -2.16 0.00 0.00 0.00 175.10 175.00 1jkh s PRO 119 N 0.35 4.64 0.07 2.72 0.04 -1.26 -0.63 135.00 140.93 1jkh s PRO 119 Ca 0.07 1.43 -0.15 0.00 0.04 0.00 0.00 61.00 62.39 1jkh s PRO 119 Cb -0.11 -2.96 -0.06 0.00 0.04 0.00 0.00 34.50 31.41 1jkh s PRO 119 CO -0.02 0.32 0.49 -1.17 0.04 0.00 0.00 177.00 176.66 1jkh s LEU 120 N -1.78 4.43 -0.37 -3.56 2.96 0.04 -4.73 118.68 115.68 1jkh s LEU 120 Ca 0.47 1.05 -0.35 0.00 -0.22 0.00 0.00 54.13 55.09 1jkh s LEU 120 Cb -0.22 -2.92 -0.12 0.00 0.50 0.00 0.00 46.19 43.43 1jkh s LEU 120 CO 0.28 0.23 2.20 -0.67 -1.32 0.00 0.00 176.35 177.07 1jkh n ASP 121 N 1.37 2.07 -0.34 3.68 2.03 -1.26 -4.78 116.55 119.32 1jkh n ASP 121 Ca -0.10 0.39 0.36 0.00 0.52 0.00 0.00 54.79 55.97 1jkh n ASP 121 Cb 0.52 -1.26 0.69 0.00 -0.72 0.00 0.00 41.12 40.35 1jkh n ASP 121 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1jkh h GLU 122 N 12.48 0.00 0.00 -0.67 4.81 -1.93 0.18 114.58 129.45 1jkh h GLU 122 Ca -0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1jkh h GLU 122 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1jkh h GLU 122 CO 1.03 0.00 0.00 -0.44 -0.73 0.00 0.00 179.01 178.87 1jkh h ASP 123 N 0.00 0.00 0.30 1.04 5.19 -1.95 -3.11 116.42 117.89 1jkh h ASP 123 Ca 0.60 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.01 1jkh h ASP 123 Cb 2.69 0.00 0.00 0.00 0.18 0.00 0.00 39.33 42.20 1jkh h ASP 123 CO -0.01 0.00 -1.06 0.33 -3.12 0.00 0.00 179.24 175.38 1jkh n PHE 124 N -2.89 0.15 -0.21 4.55 7.35 0.63 -4.47 117.46 122.58 1jkh n PHE 124 Ca 0.03 0.04 -0.01 0.00 -0.76 0.00 0.00 57.45 56.76 1jkh n PHE 124 Cb 0.41 -0.32 0.10 0.00 0.35 0.00 0.00 39.48 40.02 1jkh n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1jkh h ARG 125 N 0.00 0.51 -1.16 -4.13 3.08 -1.46 -2.59 114.38 108.64 1jkh h ARG 125 Ca 0.00 -0.03 0.33 0.00 0.07 0.00 0.00 59.98 60.35 1jkh h ARG 125 Cb 0.68 -0.12 -0.10 0.00 0.08 0.00 0.00 29.97 30.52 1jkh h ARG 125 CO 0.00 0.34 0.76 1.57 -1.07 0.00 0.00 179.97 181.57 1jkh h LYS 126 N 0.53 0.24 -0.07 0.04 2.10 -1.78 -0.11 116.57 117.51 1jkh h LYS 126 Ca 0.30 -0.01 -0.12 0.00 -2.00 0.00 0.00 60.65 58.82 1jkh h LYS 126 Cb 0.29 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.56 1jkh h LYS 126 CO -0.24 0.16 -0.49 1.88 -2.00 0.00 0.00 179.45 178.75 1jkh h TYR 127 N 0.24 0.22 0.00 0.07 0.05 -1.78 -3.11 116.97 112.66 1jkh h TYR 127 Ca 0.66 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 59.37 1jkh h TYR 127 Cb 1.95 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 39.65 1jkh h TYR 127 CO -0.00 0.64 0.00 0.25 -1.05 0.00 0.00 178.16 178.00 1jkh n THR 128 N -3.95 0.00 -1.72 -2.88 -2.24 -0.05 -4.59 114.28 98.84 1jkh n THR 128 Ca -0.02 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 1jkh n THR 128 Cb 0.53 -0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 1jkh n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jkh n ALA 129 N -0.59 2.30 -2.25 6.98 0.00 -1.17 -4.32 120.51 121.45 1jkh n ALA 129 Ca 0.03 0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.72 1jkh n ALA 129 Cb 0.01 -2.44 -0.10 0.00 0.00 0.00 0.00 19.45 16.92 1jkh n ALA 129 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1jkh s PHE 130 N 0.34 1.33 -0.01 0.00 -0.12 0.39 -0.43 117.98 119.48 1jkh s PHE 130 Ca 0.69 -1.31 0.03 0.00 -0.05 0.00 0.00 56.93 56.28 1jkh s PHE 130 Cb -0.54 -0.70 -0.01 0.00 -0.63 0.00 0.00 43.02 41.14 1jkh s PHE 130 CO 0.44 -0.52 -0.09 0.99 -0.05 0.00 0.00 175.22 175.99 1jkh s THR 131 N -3.98 0.70 -0.37 -4.49 2.01 -1.25 -1.76 115.64 106.50 1jkh s THR 131 Ca 0.38 -0.37 -0.12 0.00 0.31 0.00 0.00 61.69 61.89 1jkh s THR 131 Cb 0.07 -0.59 0.01 0.00 0.01 0.00 0.00 72.50 72.00 1jkh s THR 131 CO 0.13 0.20 0.23 -0.63 -0.69 0.00 0.00 174.62 173.86 1jkh s ILE 132 N -0.17 4.87 1.01 1.82 1.01 0.12 -4.71 121.20 125.14 1jkh s ILE 132 Ca 0.03 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 59.93 1jkh s ILE 132 Cb -0.04 -3.64 0.19 0.00 0.01 0.00 0.00 42.46 38.99 1jkh s ILE 132 CO -0.00 -0.17 1.08 -2.16 0.00 0.00 0.00 174.94 173.69 1jkh s PRO 133 N 1.62 0.35 0.02 2.79 0.04 -1.26 -0.05 135.00 138.51 1jkh s PRO 133 Ca 0.04 0.77 0.07 0.00 0.04 0.00 0.00 61.00 61.92 1jkh s PRO 133 Cb -0.18 -1.71 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 1jkh s PRO 133 CO 0.08 -2.85 -0.20 -1.54 0.04 0.00 0.00 177.00 172.53 1jkh s SER 134 N -3.13 2.38 0.27 6.66 1.04 -1.26 -4.82 113.70 114.84 1jkh s SER 134 Ca 0.66 -0.44 -0.30 0.00 0.48 0.00 0.00 55.95 56.34 1jkh s SER 134 Cb -0.20 -0.23 -0.11 0.00 0.10 0.00 0.00 66.02 65.58 1jkh s SER 134 CO 0.59 0.20 1.57 -0.63 0.98 0.00 0.00 173.24 175.95 1jkh s ILE 135 N -0.64 2.23 -1.98 -1.02 1.01 -1.26 -2.19 121.20 117.35 1jkh s ILE 135 Ca 0.07 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.91 1jkh s ILE 135 Cb -0.08 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1jkh s ILE 135 CO 0.01 0.03 0.00 -3.20 0.00 0.00 0.00 174.94 171.77 1jkh n ASN 136 N 2.42 -5.47 -0.29 3.58 5.15 -1.26 -2.45 115.26 116.93 1jkh n ASN 136 Ca 0.09 0.46 -0.04 0.00 -0.60 0.00 0.00 54.58 54.49 1jkh n ASN 136 Cb 0.38 -4.67 -0.02 0.00 -0.53 0.00 0.00 39.78 34.94 1jkh n ASN 136 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1jkh n ASN 137 N -1.31 -5.88 0.05 1.20 3.02 -0.93 -4.80 115.26 106.62 1jkh n ASN 137 Ca -0.19 0.09 0.04 0.00 -0.03 0.00 0.00 54.58 54.49 1jkh n ASN 137 Cb 0.66 -3.71 0.20 0.00 -0.61 0.00 0.00 39.78 36.32 1jkh n ASN 137 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jkh n GLU 138 N 0.34 0.05 -3.87 3.52 1.02 -1.03 -4.63 120.64 116.04 1jkh n GLU 138 Ca -0.04 0.55 -0.11 0.00 -0.02 0.00 0.00 57.16 57.54 1jkh n GLU 138 Cb 0.53 -1.66 -0.10 0.00 -0.02 0.00 0.00 31.44 30.19 1jkh n GLU 138 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1jkh s THR 139 N -3.18 0.08 0.50 2.62 2.01 -1.26 -5.11 115.64 111.30 1jkh s THR 139 Ca -0.01 -0.66 -0.22 0.00 0.31 0.00 0.00 61.69 61.12 1jkh s THR 139 Cb 0.02 -0.42 -0.06 0.00 0.01 0.00 0.00 72.50 72.05 1jkh s THR 139 CO 0.07 -0.36 1.19 -2.84 -0.69 0.00 0.00 174.62 171.99 1jkh s PRO 140 N -1.30 3.52 0.75 4.92 0.02 -1.26 -4.47 135.00 137.17 1jkh s PRO 140 Ca -0.14 1.82 -0.13 0.00 0.02 0.00 0.00 61.00 62.57 1jkh s PRO 140 Cb -0.07 -2.27 0.05 0.00 0.02 0.00 0.00 34.50 32.23 1jkh s PRO 140 CO 0.01 -0.76 1.15 0.20 -0.33 0.00 0.00 177.00 177.27 1jkh s GLY 141 N -1.40 2.06 -0.27 0.52 0.00 -1.26 -4.82 107.32 102.16 1jkh s GLY 141 Ca 0.68 0.63 -0.20 0.00 0.00 0.00 0.00 44.72 45.83 1jkh s GLY 141 CO 0.35 1.02 0.63 -0.42 0.00 0.00 0.00 173.10 174.68 1jkh s ILE 142 N -2.35 4.97 -0.21 0.90 1.01 0.93 -4.80 121.20 121.64 1jkh s ILE 142 Ca 0.69 1.07 -0.09 0.00 0.00 0.00 0.00 60.65 62.31 1jkh s ILE 142 Cb -0.24 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 1jkh s ILE 142 CO 0.48 -0.02 0.12 -0.13 0.00 0.00 0.00 174.94 175.39 1jkh s ARG 143 N 2.54 4.07 0.23 2.79 1.81 -1.26 0.14 118.95 129.28 1jkh s ARG 143 Ca 0.26 -0.28 0.03 0.00 -1.72 0.00 0.00 55.73 54.02 1jkh s ARG 143 Cb -0.15 -3.39 -0.05 0.00 -0.45 0.00 0.00 34.95 30.91 1jkh s ARG 143 CO 0.09 0.20 0.02 0.71 -0.68 0.00 0.00 175.30 175.65 1jkh s TYR 144 N 0.61 1.51 -0.04 -0.53 2.02 -0.72 -1.35 117.35 118.85 1jkh s TYR 144 Ca 0.06 -0.99 -0.14 0.00 -0.37 0.00 0.00 57.07 55.63 1jkh s TYR 144 Cb -0.12 -0.88 0.03 0.00 -0.40 0.00 0.00 41.96 40.58 1jkh s TYR 144 CO 0.01 -0.12 0.32 1.14 -1.57 0.00 0.00 175.55 175.33 1jkh s GLN 145 N -3.90 0.61 0.45 -0.62 -2.07 -0.89 -0.46 119.66 112.77 1jkh s GLN 145 Ca 0.30 -0.03 -0.21 0.00 -1.82 0.00 0.00 55.36 53.59 1jkh s GLN 145 Cb 0.06 0.27 -0.09 0.00 -1.09 0.00 0.00 33.01 32.16 1jkh s GLN 145 CO 0.09 -0.15 1.01 0.71 -1.32 0.00 0.00 175.29 175.62 1jkh s TYR 146 N -0.97 3.16 -0.05 9.60 1.51 -1.26 -2.30 117.35 127.04 1jkh s TYR 146 Ca -0.10 1.60 0.07 0.00 -1.01 0.00 0.00 57.07 57.63 1jkh s TYR 146 Cb -0.05 -3.00 -0.11 0.00 -0.11 0.00 0.00 41.96 38.70 1jkh s TYR 146 CO 0.03 -0.53 0.18 0.09 -1.11 0.00 0.00 175.55 174.21 1jkh n ASN 147 N -0.70 2.93 -2.66 2.29 5.03 -0.13 -4.71 115.26 117.30 1jkh n ASN 147 Ca 0.08 -0.09 -0.07 0.00 0.87 0.00 0.00 54.58 55.37 1jkh n ASN 147 Cb 0.53 1.29 -0.00 0.00 -1.02 0.00 0.00 39.78 40.57 1jkh n ASN 147 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 1jkh n VAL 148 N -1.67 0.00 -2.76 2.41 0.24 -1.21 -0.78 118.33 114.56 1jkh n VAL 148 Ca -0.01 -0.53 -0.42 0.00 -2.04 0.00 0.00 64.34 61.34 1jkh n VAL 148 Cb 0.18 -0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 32.26 1jkh n VAL 148 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1jkh s LEU 149 N 0.00 4.19 0.38 1.34 1.43 0.20 -4.12 118.68 122.10 1jkh s LEU 149 Ca 0.05 1.36 -0.24 0.00 -1.03 0.00 0.00 54.13 54.27 1jkh s LEU 149 Cb -0.00 -3.42 -0.10 0.00 0.03 0.00 0.00 46.19 42.69 1jkh s LEU 149 CO 0.03 -0.47 0.97 -2.84 0.23 0.00 0.00 176.35 174.27 1jkh s PRO 150 N 2.29 4.35 0.22 1.29 0.02 -1.26 -4.05 135.00 137.87 1jkh s PRO 150 Ca 0.43 1.27 -0.29 0.00 0.02 0.00 0.00 61.00 62.44 1jkh s PRO 150 Cb -0.17 -2.49 -0.09 0.00 0.02 0.00 0.00 34.50 31.77 1jkh s PRO 150 CO 0.13 0.07 0.90 -0.65 -0.33 0.00 0.00 177.00 177.13 1jkh s GLN 151 N -2.60 4.79 0.00 5.54 -0.21 -1.26 -3.39 119.66 122.53 1jkh s GLN 151 Ca 0.57 1.42 0.00 0.00 0.02 0.00 0.00 55.36 57.36 1jkh s GLN 151 Cb -0.15 -3.28 0.00 0.00 1.00 0.00 0.00 33.01 30.58 1jkh s GLN 151 CO 0.20 0.53 0.00 0.41 -2.12 0.00 0.00 175.29 174.30 1jkh n GLY 152 N 1.53 0.09 3.71 3.09 0.00 -1.26 -4.71 105.19 107.64 1jkh n GLY 152 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1jkh n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1jkh s TRP 153 N -2.00 3.53 0.64 1.61 -0.00 -1.22 -4.56 118.94 116.94 1jkh s TRP 153 Ca 0.00 1.06 0.37 0.00 -0.00 0.00 0.00 56.10 57.54 1jkh s TRP 153 Cb 0.00 -2.70 2.10 0.00 -0.00 0.00 0.00 33.47 32.87 1jkh s TRP 153 CO 0.00 0.09 2.26 1.57 -0.00 0.00 0.00 176.95 180.87 1jkh h LYS 154 N 6.82 0.00 0.00 5.86 2.10 -1.92 -1.30 116.57 128.13 1jkh h LYS 154 Ca -0.40 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.13 1jkh h LYS 154 Cb 1.18 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.49 1jkh h LYS 154 CO 0.76 0.00 -0.84 0.78 -2.00 0.00 0.00 179.45 178.14 1jkh h GLY 155 N 0.00 0.00 0.46 0.07 0.00 -1.93 -3.37 103.07 98.30 1jkh h GLY 155 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 1jkh h GLY 155 CO -0.00 0.00 -0.40 1.76 0.00 0.00 0.00 176.54 177.90 1jkh h SER 156 N 0.00 -1.07 -0.83 0.19 0.02 -1.52 -1.41 113.55 108.93 1jkh h SER 156 Ca -0.06 0.08 0.18 0.00 -0.84 0.00 0.00 61.79 61.15 1jkh h SER 156 Cb 1.43 0.34 -0.11 0.00 0.14 0.00 0.00 62.40 64.20 1jkh h SER 156 CO 0.05 -0.55 0.34 1.55 -1.14 0.00 0.00 176.83 177.08 1jkh h PRO 157 N -0.84 0.40 0.71 3.45 0.13 -1.74 -2.06 132.00 132.04 1jkh h PRO 157 Ca -0.06 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 1jkh h PRO 157 Cb 0.71 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 1jkh h PRO 157 CO -0.01 0.27 -0.46 0.00 -0.23 0.00 0.00 178.00 177.57 1jkh h ALA 158 N 1.64 -1.24 0.00 -0.56 0.00 -1.65 0.39 119.26 117.83 1jkh h ALA 158 Ca 0.49 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1jkh h ALA 158 Cb 0.85 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1jkh h ALA 158 CO -0.48 -1.20 0.00 0.82 0.00 0.00 0.00 179.25 178.39 1jkh h ILE 159 N -1.10 0.00 0.00 0.00 2.04 -1.10 -1.51 117.51 115.83 1jkh h ILE 159 Ca -0.09 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1jkh h ILE 159 Cb 0.89 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1jkh h ILE 159 CO 0.08 0.00 -1.49 0.33 0.00 0.00 0.00 178.15 177.07 1jkh n PHE 160 N -2.77 0.12 -0.35 1.37 -0.00 -0.79 -4.46 117.46 110.57 1jkh n PHE 160 Ca -0.02 0.04 -0.05 0.00 -0.00 0.00 0.00 57.45 57.41 1jkh n PHE 160 Cb 0.09 -0.40 -0.01 0.00 -0.00 0.00 0.00 39.48 39.16 1jkh n PHE 160 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.76 177.13 1jkh h GLN 161 N 0.00 -0.05 -0.71 -4.13 5.75 0.86 0.18 115.11 117.01 1jkh h GLN 161 Ca 0.00 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.57 1jkh h GLN 161 Cb 0.82 0.01 -0.08 0.00 1.07 0.00 0.00 27.48 29.30 1jkh h GLN 161 CO 0.00 -0.03 -0.42 -1.13 -2.65 0.00 0.00 178.83 174.60 1jkh n SER 162 N -5.40 -0.75 -0.07 -0.69 3.41 -1.26 -0.42 113.62 108.44 1jkh n SER 162 Ca 0.06 1.48 -0.03 0.00 -0.26 0.00 0.00 58.87 60.12 1jkh n SER 162 Cb 0.35 -0.28 0.19 0.00 -0.26 0.00 0.00 64.21 64.22 1jkh n SER 162 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1jkh h SER 163 N 0.00 0.67 0.46 4.04 0.02 -1.48 -3.10 113.55 114.16 1jkh h SER 163 Ca 0.11 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1jkh h SER 163 Cb 0.29 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1jkh h SER 163 CO -0.66 0.76 -0.42 -0.03 -1.14 0.00 0.00 176.83 175.34 1jkh h MET 164 N 0.65 -0.84 -0.77 3.45 -1.53 0.21 -2.38 114.93 113.71 1jkh h MET 164 Ca 0.12 0.06 0.18 0.00 -3.44 0.00 0.00 59.70 56.62 1jkh h MET 164 Cb 0.46 0.19 -0.12 0.00 -0.55 0.00 0.00 31.60 31.58 1jkh h MET 164 CO 0.02 -0.56 0.18 0.00 0.14 0.00 0.00 176.91 176.69 1jkh h THR 165 N -0.87 0.45 0.00 -0.77 1.03 -0.87 -1.92 112.91 109.96 1jkh h THR 165 Ca -0.06 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 1jkh h THR 165 Cb 0.75 0.19 0.00 0.00 -1.07 0.00 0.00 68.15 68.01 1jkh h THR 165 CO -0.03 0.04 0.00 0.29 -0.01 0.00 0.00 175.52 175.81 1jkh n LYS 166 N -5.19 0.00 0.29 0.00 5.02 -1.00 -0.58 118.16 116.69 1jkh n LYS 166 Ca 0.16 0.59 0.07 0.00 -2.02 0.00 0.00 58.31 57.11 1jkh n LYS 166 Cb 0.51 -1.32 0.39 0.00 -0.02 0.00 0.00 35.03 34.60 1jkh n LYS 166 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1jkh h ILE 167 N 0.00 0.00 0.05 -0.18 3.07 -1.10 -0.63 117.51 118.73 1jkh h ILE 167 Ca 0.00 0.00 -0.32 0.00 1.55 0.00 0.00 64.86 66.09 1jkh h ILE 167 Cb 0.00 0.32 -0.04 0.00 -0.27 0.00 0.00 36.82 36.83 1jkh h ILE 167 CO 0.00 0.00 -1.85 0.18 -1.05 0.00 0.00 178.15 175.43 1jkh n LEU 168 N -2.50 1.60 -0.36 0.16 4.77 0.01 -4.49 117.00 116.18 1jkh n LEU 168 Ca -0.01 0.32 -0.09 0.00 -0.03 0.00 0.00 56.01 56.20 1jkh n LEU 168 Cb 0.61 -0.36 -0.09 0.00 -2.33 0.00 0.00 43.42 41.25 1jkh n LEU 168 CO 0.06 0.59 0.46 -0.62 -1.33 0.00 0.00 177.39 176.55 1jkh n GLU 169 N -3.22 -0.38 -0.33 3.23 1.02 0.25 -1.20 120.64 120.02 1jkh n GLU 169 Ca -0.24 1.39 0.01 0.00 -0.02 0.00 0.00 57.16 58.30 1jkh n GLU 169 Cb 1.05 -2.04 0.06 0.00 -0.02 0.00 0.00 31.44 30.49 1jkh n GLU 169 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1jkh n PRO 170 N -4.97 -0.17 0.17 3.49 -0.02 -1.26 0.12 135.00 132.36 1jkh n PRO 170 Ca 0.02 1.33 0.03 0.00 -2.02 0.00 0.00 63.50 62.86 1jkh n PRO 170 Cb 0.22 -1.98 0.26 0.00 -0.02 0.00 0.00 33.50 31.98 1jkh n PRO 170 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1jkh h PHE 171 N 0.00 0.00 0.00 6.00 3.57 -1.42 0.15 116.94 125.24 1jkh h PHE 171 Ca 0.33 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 1jkh h PHE 171 Cb 0.54 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 1jkh h PHE 171 CO -0.73 0.48 -0.05 0.00 -2.23 0.00 0.00 178.31 175.77 1jkh h ARG 172 N 0.00 0.00 0.09 1.11 3.08 0.22 -1.23 114.38 117.66 1jkh h ARG 172 Ca -0.00 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.68 1jkh h ARG 172 Cb 1.01 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.03 1jkh h ARG 172 CO 0.06 0.05 -2.10 1.63 -1.07 0.00 0.00 179.97 178.54 1jkh n LYS 173 N -3.11 0.73 -0.12 0.04 4.01 0.17 -2.78 118.16 117.09 1jkh n LYS 173 Ca 0.04 0.24 -0.09 0.00 -0.51 0.00 0.00 58.31 57.98 1jkh n LYS 173 Cb 0.54 -1.66 -0.01 0.00 -0.51 0.00 0.00 35.03 33.38 1jkh n LYS 173 CO 0.00 0.00 0.00 1.96 -1.11 0.00 0.00 177.40 178.25 1jkh h GLN 174 N 0.03 0.56 -2.91 1.97 4.20 -0.77 -3.34 115.11 114.85 1jkh h GLN 174 Ca -0.46 -0.11 -0.61 0.00 0.06 0.00 0.00 58.65 57.52 1jkh h GLN 174 Cb 1.99 -0.09 -0.41 0.00 0.30 0.00 0.00 27.48 29.27 1jkh h GLN 174 CO 0.04 0.57 -0.66 0.09 -0.67 0.00 0.00 178.83 178.19 1jkh n ASN 175 N -4.65 2.24 -0.64 1.46 4.13 -0.46 -4.94 115.26 112.39 1jkh n ASN 175 Ca -0.01 -3.03 0.00 0.00 1.68 0.00 0.00 54.58 53.23 1jkh n ASN 175 Cb 0.16 -0.71 0.00 0.00 -1.54 0.00 0.00 39.78 37.69 1jkh n ASN 175 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1jkh n PRO 176 N 2.14 0.98 -0.00 3.52 -0.04 -1.12 -3.23 135.00 137.25 1jkh n PRO 176 Ca 0.22 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.73 1jkh n PRO 176 Cb 0.38 -1.35 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 1jkh n PRO 176 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1jkh n ASP 177 N 0.16 0.67 -4.93 3.54 5.68 -1.26 -5.00 116.55 115.41 1jkh n ASP 177 Ca 0.00 -0.65 -0.29 0.00 -0.50 0.00 0.00 54.79 53.35 1jkh n ASP 177 Cb 0.31 1.04 -0.04 0.00 -1.14 0.00 0.00 41.12 41.30 1jkh n ASP 177 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1jkh s ILE 178 N -1.98 5.34 -0.15 2.12 1.01 -1.20 -4.75 121.20 121.61 1jkh s ILE 178 Ca 0.03 -0.51 -0.00 0.00 0.00 0.00 0.00 60.65 60.17 1jkh s ILE 178 Cb 0.07 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.84 1jkh s ILE 178 CO 0.39 0.02 -0.13 -0.69 0.00 0.00 0.00 174.94 174.53 1jkh s VAL 179 N -1.64 2.95 -0.33 2.92 1.01 -0.07 -4.93 120.40 120.31 1jkh s VAL 179 Ca 0.35 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1jkh s VAL 179 Cb -0.12 -2.25 0.08 0.00 0.00 0.00 0.00 36.38 34.09 1jkh s VAL 179 CO 0.28 0.51 0.05 -0.63 0.00 0.00 0.00 175.10 175.31 1jkh s ILE 180 N 0.62 2.78 -0.12 2.22 1.01 -1.24 -0.72 121.20 125.74 1jkh s ILE 180 Ca -0.07 -1.84 -0.00 0.00 0.00 0.00 0.00 60.65 58.74 1jkh s ILE 180 Cb -0.16 -2.79 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 1jkh s ILE 180 CO 0.03 -0.37 -0.11 0.00 0.00 0.00 0.00 174.94 174.48 1jkh s GLN 182 N 0.14 3.68 -0.13 0.00 0.74 -1.26 0.12 119.66 122.95 1jkh s GLN 182 Ca -0.06 -0.33 -0.01 0.00 0.05 0.00 0.00 55.36 55.01 1jkh s GLN 182 Cb -0.15 -3.11 0.04 0.00 1.10 0.00 0.00 33.01 30.89 1jkh s GLN 182 CO 0.04 0.44 -0.02 -0.47 -0.55 0.00 0.00 175.29 174.74 1jkh s TYR 183 N -0.11 1.12 0.00 1.67 6.14 0.13 -4.99 117.35 121.31 1jkh s TYR 183 Ca 0.07 -0.64 0.00 0.00 0.64 0.00 0.00 57.07 57.14 1jkh s TYR 183 Cb -0.12 -1.04 0.00 0.00 0.42 0.00 0.00 41.96 41.22 1jkh s TYR 183 CO 0.01 -0.49 0.00 -1.33 0.64 0.00 0.00 175.55 174.38 1jkh n MET 184 N 5.03 0.00 0.00 4.97 2.81 -1.26 0.23 117.12 128.90 1jkh n MET 184 Ca -0.09 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 55.92 1jkh n MET 184 Cb 0.49 0.00 0.32 0.00 -0.71 0.00 0.00 33.22 33.32 1jkh n MET 184 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1jkh n ASP 185 N 8.39 1.92 -4.86 7.83 10.43 -1.26 -4.54 116.55 134.45 1jkh n ASP 185 Ca 0.00 -1.55 -0.31 0.00 2.57 0.00 0.00 54.79 55.50 1jkh n ASP 185 Cb 0.00 0.07 -0.05 0.00 1.84 0.00 0.00 41.12 42.98 1jkh n ASP 185 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 1jkh s ASP 186 N -2.13 6.02 -0.13 -2.24 1.01 0.14 -0.92 116.67 118.41 1jkh s ASP 186 Ca 0.31 0.16 0.01 0.00 0.71 0.00 0.00 52.55 53.75 1jkh s ASP 186 Cb 0.20 -1.77 0.02 0.00 1.01 0.00 0.00 42.92 42.38 1jkh s ASP 186 CO 0.38 0.18 -0.16 -0.22 0.21 0.00 0.00 175.17 175.56 1jkh s LEU 187 N -2.40 1.78 -0.20 1.23 2.96 0.15 0.20 118.68 122.41 1jkh s LEU 187 Ca 0.32 -0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 53.69 1jkh s LEU 187 Cb -0.13 -1.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.34 1jkh s LEU 187 CO 0.25 -0.00 0.02 -0.31 -1.32 0.00 0.00 176.35 174.98 1jkh s TYR 188 N 1.16 3.07 -0.18 5.38 1.51 0.33 0.10 117.35 128.72 1jkh s TYR 188 Ca -0.02 -0.35 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1jkh s TYR 188 Cb -0.14 -2.09 0.03 0.00 -0.11 0.00 0.00 41.96 39.65 1jkh s TYR 188 CO -0.06 -0.17 -0.14 0.08 -1.11 0.00 0.00 175.55 174.15 1jkh s VAL 189 N 0.92 1.77 -0.05 0.71 1.01 0.83 0.60 120.40 126.19 1jkh s VAL 189 Ca 0.02 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.12 1jkh s VAL 189 Cb -0.14 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 1jkh s VAL 189 CO 0.02 0.33 -0.23 -0.83 0.00 0.00 0.00 175.10 174.39 1jkh s GLY 190 N 1.37 1.20 -0.06 4.51 0.00 0.11 0.34 107.32 114.78 1jkh s GLY 190 Ca 0.02 -0.97 -0.13 0.00 0.00 0.00 0.00 44.72 43.63 1jkh s GLY 190 CO -0.10 -0.63 0.31 -1.35 0.00 0.00 0.00 173.10 171.33 1jkh s SER 191 N -0.20 -0.24 -0.08 1.64 1.04 -0.79 -0.89 113.70 114.18 1jkh s SER 191 Ca -0.01 0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.73 1jkh s SER 191 Cb -0.12 0.45 0.17 0.00 0.10 0.00 0.00 66.02 66.61 1jkh s SER 191 CO 0.03 -0.31 1.05 0.47 0.98 0.00 0.00 173.24 175.45 1jkh n ASP 192 N 1.91 2.75 -3.66 7.02 9.92 -1.26 -3.24 116.55 129.99 1jkh n ASP 192 Ca -0.18 -2.31 -0.27 0.00 -0.53 0.00 0.00 54.79 51.49 1jkh n ASP 192 Cb 0.57 -0.56 0.20 0.00 -0.64 0.00 0.00 41.12 40.68 1jkh n ASP 192 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1jkh n LEU 193 N 0.13 0.00 -4.93 0.64 4.32 -1.26 -4.93 117.00 110.97 1jkh n LEU 193 Ca 0.11 -1.26 -0.27 0.00 -0.02 0.00 0.00 56.01 54.57 1jkh n LEU 193 Cb 0.65 -0.93 -0.03 0.00 -1.62 0.00 0.00 43.42 41.49 1jkh n LEU 193 CO 0.12 -1.58 0.04 -1.83 -1.22 0.00 0.00 177.39 172.91 1jkh s GLU 194 N -5.56 3.52 0.19 3.23 4.04 -1.26 -4.86 118.70 118.00 1jkh s GLU 194 Ca 0.68 -0.34 -0.21 0.00 0.04 0.00 0.00 54.97 55.14 1jkh s GLU 194 Cb -0.03 -2.83 0.12 0.00 0.02 0.00 0.00 34.13 31.41 1jkh s GLU 194 CO 0.49 0.38 1.58 0.97 -1.84 0.00 0.00 175.26 176.85 1jkh h ILE 195 N 1.49 0.15 0.09 1.83 6.09 -1.96 0.55 117.51 125.75 1jkh h ILE 195 Ca -0.48 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.03 1jkh h ILE 195 Cb 1.19 0.15 -0.05 0.00 0.47 0.00 0.00 36.82 38.59 1jkh h ILE 195 CO 0.67 0.00 -0.39 1.23 -3.07 0.00 0.00 178.15 176.59 1jkh h GLY 196 N -0.16 -0.77 1.45 8.18 0.00 -1.98 0.92 103.07 110.71 1jkh h GLY 196 Ca 0.23 0.47 -0.09 0.00 0.00 0.00 0.00 47.33 47.95 1jkh h GLY 196 CO -0.70 -0.26 -0.13 1.46 0.00 0.00 0.00 176.54 176.91 1jkh h GLN 197 N -0.61 0.65 0.39 4.80 4.20 -1.93 -1.34 115.11 121.27 1jkh h GLN 197 Ca 0.03 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 1jkh h GLN 197 Cb 0.65 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1jkh h GLN 197 CO -0.25 0.76 -0.19 1.25 -0.67 0.00 0.00 178.83 179.74 1jkh h HIS 198 N 0.59 -0.48 0.00 2.96 2.76 0.65 0.11 115.15 121.74 1jkh h HIS 198 Ca 0.10 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.19 1jkh h HIS 198 Cb 0.56 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 1jkh h HIS 198 CO 0.02 -0.17 -0.32 0.00 -1.30 0.00 0.00 177.93 176.16 1jkh h ARG 199 N -0.79 0.00 -0.09 5.26 3.08 0.87 -1.51 114.38 121.21 1jkh h ARG 199 Ca -0.05 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.78 1jkh h ARG 199 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1jkh h ARG 199 CO 0.09 0.32 -0.80 1.15 -1.07 0.00 0.00 179.97 179.65 1jkh h THR 200 N 0.00 1.33 0.00 2.04 2.02 -1.21 -0.34 112.91 116.76 1jkh h THR 200 Ca -0.00 -2.12 -0.03 0.00 0.77 0.00 0.00 66.41 65.03 1jkh h THR 200 Cb 0.57 2.12 -0.00 0.00 -1.74 0.00 0.00 68.15 69.10 1jkh h THR 200 CO 0.04 0.65 -0.13 0.50 0.37 0.00 0.00 175.52 176.96 1jkh h LYS 201 N 0.39 0.00 0.17 6.66 1.63 -0.37 0.43 116.57 125.48 1jkh h LYS 201 Ca -0.05 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 1jkh h LYS 201 Cb 1.41 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.05 1jkh h LYS 201 CO 0.15 0.13 -0.08 0.82 -3.45 0.00 0.00 179.45 177.02 1jkh h ILE 202 N 0.00 0.04 -1.16 2.00 1.08 -1.00 -2.59 117.51 115.88 1jkh h ILE 202 Ca -0.00 -0.86 0.35 0.00 -0.39 0.00 0.00 64.86 63.95 1jkh h ILE 202 Cb 0.51 0.08 -0.11 0.00 -3.07 0.00 0.00 36.82 34.23 1jkh h ILE 202 CO 0.02 0.01 0.74 -0.08 -0.69 0.00 0.00 178.15 178.15 1jkh h GLU 203 N -1.06 0.24 -0.62 2.37 4.22 -0.87 1.95 114.58 120.81 1jkh h GLU 203 Ca -0.02 -0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.35 1jkh h GLU 203 Cb 0.19 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1jkh h GLU 203 CO 0.04 0.16 0.19 1.49 -2.18 0.00 0.00 179.01 178.71 1jkh h GLU 204 N 0.24 0.94 -0.10 1.92 4.81 -0.90 -1.30 114.58 120.19 1jkh h GLU 204 Ca 0.70 -0.18 -0.18 0.00 -0.13 0.00 0.00 59.36 59.57 1jkh h GLU 204 Cb 2.00 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 31.23 1jkh h GLU 204 CO -0.37 0.81 -0.71 1.25 -0.73 0.00 0.00 179.01 179.26 1jkh h LEU 205 N 0.91 0.53 -0.48 1.64 7.12 0.34 -2.38 115.31 122.99 1jkh h LEU 205 Ca 0.20 -0.34 0.00 0.00 0.13 0.00 0.00 57.88 57.88 1jkh h LEU 205 Cb 0.26 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.23 1jkh h LEU 205 CO -0.01 1.07 0.00 -0.09 -0.13 0.00 0.00 178.44 179.29 1jkh h ARG 206 N 0.31 0.00 0.01 1.25 2.43 -0.62 -0.02 114.38 117.74 1jkh h ARG 206 Ca -0.03 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1jkh h ARG 206 Cb 1.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1jkh h ARG 206 CO 0.12 0.00 -0.06 1.96 -1.51 0.00 0.00 179.97 180.48 1jkh h GLN 207 N 0.00 0.03 -0.27 0.20 1.08 -0.96 -2.08 115.11 113.12 1jkh h GLN 207 Ca 0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1jkh h GLN 207 Cb 0.55 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 1jkh h GLN 207 CO 0.00 0.93 0.17 1.25 -0.95 0.00 0.00 178.83 180.23 1jkh h HIS 208 N -0.85 0.33 -0.70 2.96 2.76 -1.13 -2.63 115.15 115.88 1jkh h HIS 208 Ca -0.01 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1jkh h HIS 208 Cb 0.96 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.77 1jkh h HIS 208 CO 0.24 0.20 0.46 -0.07 -1.30 0.00 0.00 177.93 177.46 1jkh h LEU 209 N 0.35 0.81 -1.67 0.26 4.07 -1.10 -2.67 115.31 115.36 1jkh h LEU 209 Ca 0.10 -0.03 0.07 0.00 0.08 0.00 0.00 57.88 58.10 1jkh h LEU 209 Cb -0.03 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.47 1jkh h LEU 209 CO -0.03 0.60 0.35 0.25 -1.08 0.00 0.00 178.44 178.53 1jkh h LEU 210 N 0.95 0.34 -3.83 1.67 5.85 -1.01 -1.90 115.31 117.39 1jkh h LEU 210 Ca 0.26 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.83 1jkh h LEU 210 Cb -0.10 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 1jkh h LEU 210 CO -0.05 0.22 -0.30 -2.11 -0.34 0.00 0.00 178.44 175.85 1jkh n ARG 211 N -4.47 1.78 0.03 1.25 1.85 -1.01 -3.24 116.66 112.85 1jkh n ARG 211 Ca 0.08 -0.80 0.00 0.00 -1.00 0.00 0.00 57.85 56.13 1jkh n ARG 211 Cb 0.30 -1.81 0.00 0.00 -1.05 0.00 0.00 32.46 29.90 1jkh n ARG 211 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 1jkh n TRP 212 N 2.32 -2.37 0.00 2.89 7.02 -0.89 -5.06 117.44 121.35 1jkh n TRP 212 Ca 0.34 0.18 0.00 0.00 -1.02 0.00 0.00 57.50 57.00 1jkh n TRP 212 Cb 0.82 0.82 0.00 0.00 -2.42 0.00 0.00 31.31 30.54 1jkh n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1jkh n GLY 213 N -1.49 0.00 2.60 6.99 0.00 -0.77 -5.11 105.19 107.42 1jkh n GLY 213 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1jkh n GLY 213 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jkh s GLU 233 N 0.00 0.91 0.18 1.61 -6.30 -1.25 -4.16 118.70 109.68 1jkh s GLU 233 Ca 0.00 -1.48 0.06 0.00 -2.50 0.00 0.00 54.97 51.05 1jkh s GLU 233 Cb 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 34.13 33.31 1jkh s GLU 233 CO 0.00 -1.33 0.09 -0.51 0.02 0.00 0.00 175.26 173.53 1jkh s LEU 234 N 0.63 3.60 -0.37 2.70 1.02 -0.59 -4.95 118.68 120.72 1jkh s LEU 234 Ca 0.28 -0.26 0.02 0.00 0.02 0.00 0.00 54.13 54.19 1jkh s LEU 234 Cb -0.01 -2.21 0.11 0.00 0.02 0.00 0.00 46.19 44.10 1jkh s LEU 234 CO -0.11 0.06 0.13 -1.00 0.02 0.00 0.00 176.35 175.45 1jkh s HIS 235 N -1.81 2.50 0.15 0.29 3.76 -1.26 -1.33 115.29 117.58 1jkh s HIS 235 Ca 0.30 -2.39 -0.15 0.00 -0.15 0.00 0.00 55.06 52.67 1jkh s HIS 235 Cb -0.09 -2.21 0.02 0.00 1.11 0.00 0.00 32.58 31.41 1jkh s HIS 235 CO 0.22 -0.87 1.70 -1.35 -0.85 0.00 0.00 174.74 173.59 1jkh h PRO 236 N 7.50 0.69 0.00 8.40 0.11 -1.75 -2.96 132.00 144.00 1jkh h PRO 236 Ca -0.08 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1jkh h PRO 236 Cb 0.99 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1jkh h PRO 236 CO 0.51 0.63 0.00 -0.40 -0.21 0.00 0.00 178.00 178.53 1jkh n ASP 237 N -4.59 0.00 -0.00 -2.05 5.75 -1.22 -1.11 116.55 113.33 1jkh n ASP 237 Ca 0.01 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.86 1jkh n ASP 237 Cb 0.15 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.15 1jkh n ASP 237 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1jkh n LYS 238 N -0.93 1.67 -3.35 0.11 3.00 -1.12 -4.97 118.16 112.58 1jkh n LYS 238 Ca 0.00 -0.03 -0.38 0.00 -0.00 0.00 0.00 58.31 57.90 1jkh n LYS 238 Cb 0.00 -1.25 -0.07 0.00 0.00 0.00 0.00 35.03 33.71 1jkh n LYS 238 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1jkh s TRP 239 N -2.57 3.41 0.00 5.64 0.51 -0.27 -5.04 118.94 120.62 1jkh s TRP 239 Ca 0.03 0.71 0.00 0.00 -2.12 0.00 0.00 56.10 54.72 1jkh s TRP 239 Cb 0.11 -2.55 0.00 0.00 -0.81 0.00 0.00 33.47 30.22 1jkh s TRP 239 CO 0.63 0.03 0.00 0.25 -0.51 0.00 0.00 176.95 177.35 1jkh n THR 240 N 4.18 0.00 -3.29 2.01 -2.24 -1.26 -5.08 114.28 108.60 1jkh n THR 240 Ca -0.08 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.24 1jkh n THR 240 Cb 0.51 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.70 1jkh n THR 240 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1jkh s VAL 241 N -2.48 5.29 0.43 2.28 1.01 -1.26 -2.58 120.40 123.08 1jkh s VAL 241 Ca 0.00 -1.76 -0.25 0.00 0.00 0.00 0.00 61.98 59.97 1jkh s VAL 241 Cb 0.00 -4.40 -0.10 0.00 0.00 0.00 0.00 36.38 31.88 1jkh s VAL 241 CO 0.00 -0.96 1.20 0.00 0.00 0.00 0.00 175.10 175.35 1jkh n GLN 242 N 4.97 1.75 -2.66 2.72 1.13 -1.24 -4.79 117.38 119.26 1jkh n GLN 242 Ca -0.04 0.63 -0.39 0.00 -1.94 0.00 0.00 57.00 55.26 1jkh n GLN 242 Cb 0.43 -2.30 -0.05 0.00 0.11 0.00 0.00 30.24 28.42 1jkh n GLN 242 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1jkh s PRO 243 N -2.20 4.66 -0.12 -1.09 0.04 -1.26 -4.95 135.00 130.09 1jkh s PRO 243 Ca 0.62 1.54 -0.28 0.00 0.04 0.00 0.00 61.00 62.92 1jkh s PRO 243 Cb -0.52 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 30.94 1jkh s PRO 243 CO 0.57 0.31 0.95 0.42 0.04 0.00 0.00 177.00 179.29 1jkh s ILE 244 N -1.32 4.82 -0.01 0.56 1.01 -1.26 -5.03 121.20 119.97 1jkh s ILE 244 Ca 0.46 1.92 0.02 0.00 0.00 0.00 0.00 60.65 63.05 1jkh s ILE 244 Cb -0.26 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 1jkh s ILE 244 CO 0.32 0.03 -0.03 0.68 0.00 0.00 0.00 174.94 175.94 1jkh s VAL 245 N 1.96 3.94 -0.05 2.92 -7.23 -1.26 -4.87 120.40 115.82 1jkh s VAL 245 Ca 0.46 -0.65 -0.02 0.00 -1.81 0.00 0.00 61.98 59.96 1jkh s VAL 245 Cb -0.18 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 33.99 1jkh s VAL 245 CO 0.17 0.40 0.05 -0.76 -0.31 0.00 0.00 175.10 174.65 1jkh s LEU 246 N -1.44 3.82 0.29 1.32 1.43 -1.26 -5.08 118.68 117.76 1jkh s LEU 246 Ca 0.18 0.17 -0.29 0.00 -1.03 0.00 0.00 54.13 53.16 1jkh s LEU 246 Cb -0.11 -2.07 -0.10 0.00 0.03 0.00 0.00 46.19 43.93 1jkh s LEU 246 CO 0.08 0.33 1.43 -2.16 0.23 0.00 0.00 176.35 176.26 1jkh s PRO 247 N -1.35 4.25 -0.08 1.29 0.04 -1.26 -5.02 135.00 132.88 1jkh s PRO 247 Ca 0.18 2.35 0.04 0.00 0.04 0.00 0.00 61.00 63.62 1jkh s PRO 247 Cb -0.12 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1jkh s PRO 247 CO 0.08 -0.40 -0.21 -1.21 0.04 0.00 0.00 177.00 175.30 1jkh s GLU 248 N -1.01 2.51 0.12 4.56 2.02 -1.26 -5.14 118.70 120.51 1jkh s GLU 248 Ca 0.56 -0.75 -0.05 0.00 0.02 0.00 0.00 54.97 54.75 1jkh s GLU 248 Cb -0.43 -1.99 -0.02 0.00 0.10 0.00 0.00 34.13 31.79 1jkh s GLU 248 CO 0.49 0.19 0.15 0.15 0.02 0.00 0.00 175.26 176.26 1jkh s LYS 249 N 0.28 0.94 0.04 1.61 1.02 -1.26 -5.06 119.74 117.31 1jkh s LYS 249 Ca -0.13 -1.22 -0.31 0.00 0.02 0.00 0.00 55.97 54.33 1jkh s LYS 249 Cb -0.16 0.30 -0.17 0.00 -0.52 0.00 0.00 37.83 37.29 1jkh s LYS 249 CO 0.06 -0.29 1.34 -0.44 -0.92 0.00 0.00 175.35 175.09 1jkh h ASP 250 N 2.77 -0.93 -3.56 2.83 3.45 -2.05 -3.45 116.42 115.48 1jkh h ASP 250 Ca -0.34 0.03 -0.67 0.00 0.43 0.00 0.00 57.03 56.49 1jkh h ASP 250 Cb 1.20 0.24 -0.20 0.00 -0.56 0.00 0.00 39.33 40.02 1jkh h ASP 250 CO 0.56 -0.61 -0.83 -0.94 -1.57 0.00 0.00 179.24 175.85 1jkh s SER 251 N -4.01 3.55 -0.11 6.45 1.04 -1.26 -5.09 113.70 114.26 1jkh s SER 251 Ca -0.16 -0.74 0.03 0.00 0.48 0.00 0.00 55.95 55.57 1jkh s SER 251 Cb 0.02 -0.34 0.00 0.00 0.10 0.00 0.00 66.02 65.80 1jkh s SER 251 CO 0.48 0.15 -0.23 0.26 0.98 0.00 0.00 173.24 174.88 1jkh s TRP 252 N -1.33 2.60 0.53 5.02 0.52 -1.26 -5.06 118.94 119.96 1jkh s TRP 252 Ca 0.18 -1.12 0.06 0.00 0.02 0.00 0.00 56.10 55.24 1jkh s TRP 252 Cb -0.09 -1.74 0.05 0.00 -1.15 0.00 0.00 33.47 30.54 1jkh s TRP 252 CO 0.09 -0.47 0.73 0.95 0.02 0.00 0.00 176.95 178.27 1jkh s THR 253 N 0.47 2.60 0.24 2.01 -4.23 -1.26 0.78 115.64 116.25 1jkh s THR 253 Ca -0.16 -0.86 -0.06 0.00 -1.18 0.00 0.00 61.69 59.43 1jkh s THR 253 Cb -0.17 -2.74 0.24 0.00 1.34 0.00 0.00 72.50 71.17 1jkh s THR 253 CO 0.06 0.00 1.90 0.58 -0.54 0.00 0.00 174.62 176.62 1jkh h VAL 254 N 0.23 1.26 0.76 2.29 2.07 -1.24 -1.24 116.25 120.37 1jkh h VAL 254 Ca -0.38 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 1jkh h VAL 254 Cb 1.28 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1jkh h VAL 254 CO 0.45 0.27 -0.49 -1.13 0.02 0.00 0.00 177.57 176.69 1jkh h ASN 255 N 1.32 -1.24 -0.77 0.57 -0.00 -1.58 -0.41 115.58 113.47 1jkh h ASN 255 Ca 0.35 0.07 0.17 0.00 -0.00 0.00 0.00 56.30 56.88 1jkh h ASN 255 Cb -0.08 0.37 -0.14 0.00 -0.00 0.00 0.00 38.32 38.47 1jkh h ASN 255 CO -0.07 -0.74 -0.10 0.44 -0.00 0.00 0.00 177.43 176.97 1jkh h ASP 256 N -1.17 -0.54 -0.71 1.15 3.45 -1.74 0.57 116.42 117.43 1jkh h ASP 256 Ca -0.10 0.22 -0.06 0.00 0.43 0.00 0.00 57.03 57.51 1jkh h ASP 256 Cb 0.94 0.42 -0.03 0.00 -0.56 0.00 0.00 39.33 40.10 1jkh h ASP 256 CO 0.09 -0.23 0.20 0.40 -1.57 0.00 0.00 179.24 178.13 1jkh h ILE 257 N 0.04 1.26 0.56 0.35 2.04 -0.95 -0.55 117.51 120.26 1jkh h ILE 257 Ca 0.40 -0.94 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 1jkh h ILE 257 Cb 0.66 0.50 0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1jkh h ILE 257 CO -0.74 0.37 -0.27 1.56 0.00 0.00 0.00 178.15 179.07 1jkh h GLN 258 N 1.08 -0.72 -0.96 2.37 4.20 0.80 0.15 115.11 122.03 1jkh h GLN 258 Ca 0.23 0.05 0.15 0.00 0.06 0.00 0.00 58.65 59.14 1jkh h GLN 258 Cb 0.34 0.16 -0.09 0.00 0.30 0.00 0.00 27.48 28.19 1jkh h GLN 258 CO -0.00 -0.46 0.58 0.87 -0.67 0.00 0.00 178.83 179.14 1jkh h LYS 259 N -0.78 0.80 0.16 1.46 1.57 -1.15 0.36 116.57 119.00 1jkh h LYS 259 Ca -0.08 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1jkh h LYS 259 Cb 0.59 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1jkh h LYS 259 CO 0.13 0.53 -0.08 1.25 -0.57 0.00 0.00 179.45 180.71 1jkh h LEU 260 N 0.83 -0.18 -1.37 2.94 5.85 -0.64 -1.84 115.31 120.89 1jkh h LEU 260 Ca 0.51 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.17 1jkh h LEU 260 Cb 0.66 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1jkh h LEU 260 CO -0.33 -0.08 0.17 0.58 -0.34 0.00 0.00 178.44 178.45 1jkh h VAL 261 N -0.28 1.16 0.28 1.05 2.07 0.59 -1.06 116.25 120.07 1jkh h VAL 261 Ca -0.02 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1jkh h VAL 261 Cb 0.21 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1jkh h VAL 261 CO 0.04 0.20 -0.13 1.23 0.02 0.00 0.00 177.57 178.92 1jkh h GLY 262 N 0.75 -0.39 0.72 2.17 0.00 -0.08 0.87 103.07 107.12 1jkh h GLY 262 Ca 0.15 0.14 0.06 0.00 0.00 0.00 0.00 47.33 47.68 1jkh h GLY 262 CO -0.02 -0.14 0.43 1.70 0.00 0.00 0.00 176.54 178.51 1jkh h LYS 263 N -0.56 0.77 0.26 4.80 3.64 -1.05 -2.16 116.57 122.27 1jkh h LYS 263 Ca -0.04 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1jkh h LYS 263 Cb 0.41 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1jkh h LYS 263 CO 0.06 0.51 -0.13 -0.07 -2.27 0.00 0.00 179.45 177.55 1jkh h LEU 264 N 0.79 -0.30 -1.61 5.20 3.38 -1.10 -1.89 115.31 119.79 1jkh h LEU 264 Ca 0.32 -0.08 0.25 0.00 0.09 0.00 0.00 57.88 58.46 1jkh h LEU 264 Cb 0.16 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1jkh h LEU 264 CO -0.17 -0.11 0.66 -1.13 0.09 0.00 0.00 178.44 177.78 1jkh h ASN 265 N -0.48 0.30 0.29 -0.43 -1.24 -0.48 0.19 115.58 113.73 1jkh h ASN 265 Ca -0.04 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1jkh h ASN 265 Cb 0.36 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.40 1jkh h ASN 265 CO 0.06 0.09 -0.14 -0.25 -1.29 0.00 0.00 177.43 175.90 1jkh h TRP 266 N 0.28 -0.37 0.00 0.67 7.01 -1.15 -2.97 115.95 119.43 1jkh h TRP 266 Ca 0.51 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.50 1jkh h TRP 266 Cb 1.50 0.12 0.00 0.00 -2.10 0.00 0.00 29.16 28.68 1jkh h TRP 266 CO -0.00 -0.02 0.25 0.00 -2.79 0.00 0.00 178.44 175.88 1jkh h ALA 267 N -0.51 1.23 0.00 2.65 0.00 -0.06 0.59 119.26 123.16 1jkh h ALA 267 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1jkh h ALA 267 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1jkh h ALA 267 CO 0.07 -0.23 -0.10 0.66 0.00 0.00 0.00 179.25 179.65 1jkh h SER 268 N 0.00 0.00 0.35 0.00 4.64 -0.58 0.63 113.55 118.60 1jkh h SER 268 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1jkh h SER 268 Cb 0.50 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1jkh h SER 268 CO 0.00 0.10 -0.32 1.56 -0.87 0.00 0.00 176.83 177.30 1jkh h GLN 269 N 0.00 0.00 0.01 4.77 4.20 0.08 -2.98 115.11 121.19 1jkh h GLN 269 Ca -0.00 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.36 1jkh h GLN 269 Cb 0.37 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.09 1jkh h GLN 269 CO 0.01 0.32 -2.19 -0.89 -0.67 0.00 0.00 178.83 175.42 1jkh n ILE 270 N -4.09 1.48 -3.75 2.54 5.41 -0.59 -4.77 119.36 115.59 1jkh n ILE 270 Ca -0.02 -0.81 -0.30 0.00 1.00 0.00 0.00 62.75 62.63 1jkh n ILE 270 Cb 0.37 -0.77 -0.14 0.00 -0.71 0.00 0.00 39.64 38.40 1jkh n ILE 270 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1jkh s TYR 271 N -2.53 2.10 0.59 1.39 2.02 0.11 -4.83 117.35 116.20 1jkh s TYR 271 Ca -0.11 -2.38 0.29 0.00 -0.37 0.00 0.00 57.07 54.49 1jkh s TYR 271 Cb 0.07 -1.97 1.54 0.00 -0.40 0.00 0.00 41.96 41.19 1jkh s TYR 271 CO 0.81 -0.80 1.97 -1.35 -1.57 0.00 0.00 175.55 174.60 1jkh h PRO 272 N 6.99 0.00 -0.12 -1.71 0.11 -1.79 -1.53 132.00 133.95 1jkh h PRO 272 Ca -0.04 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 1jkh h PRO 272 Cb 0.94 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1jkh h PRO 272 CO 0.49 0.00 -0.06 0.78 -0.21 0.00 0.00 178.00 179.00 1jkh h GLY 273 N 0.00 0.19 -6.08 -0.55 0.00 -1.94 -3.44 103.07 91.25 1jkh h GLY 273 Ca 0.17 -0.10 -0.70 0.00 0.00 0.00 0.00 47.33 46.70 1jkh h GLY 273 CO -0.00 0.09 0.88 1.39 0.00 0.00 0.00 176.54 178.91 1jkh n ILE 274 N -4.36 0.31 -4.89 2.60 5.41 -0.58 -4.98 119.36 112.87 1jkh n ILE 274 Ca -0.01 -0.06 -0.31 0.00 1.00 0.00 0.00 62.75 63.38 1jkh n ILE 274 Cb 0.20 -1.31 -0.14 0.00 -0.71 0.00 0.00 39.64 37.68 1jkh n ILE 274 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1jkh s LYS 275 N 3.21 1.98 0.00 0.38 1.02 -1.26 -4.86 119.74 120.21 1jkh s LYS 275 Ca 0.95 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 55.93 1jkh s LYS 275 Cb -0.97 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 1jkh s LYS 275 CO 0.60 0.54 0.77 1.33 -0.92 0.00 0.00 175.35 177.67 1jkh n VAL 276 N 1.85 0.58 -0.00 3.17 0.24 -1.26 -4.87 118.33 118.05 1jkh n VAL 276 Ca -0.17 -0.62 -0.10 0.00 -2.04 0.00 0.00 64.34 61.42 1jkh n VAL 276 Cb 0.52 0.75 -0.04 0.00 -1.47 0.00 0.00 33.84 33.60 1jkh n VAL 276 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1jkh h ARG 277 N 0.00 -0.35 -0.58 7.34 -0.00 -2.00 -1.44 114.38 117.35 1jkh h ARG 277 Ca 0.00 0.02 0.03 0.00 -0.50 0.00 0.00 59.98 59.53 1jkh h ARG 277 Cb 0.62 0.08 -0.04 0.00 0.00 0.00 0.00 29.97 30.63 1jkh h ARG 277 CO 0.00 -0.23 0.35 1.96 0.00 0.00 0.00 179.97 182.05 1jkh h GLN 278 N -0.36 0.68 -0.26 0.04 1.08 -1.92 -2.62 115.11 111.75 1jkh h GLN 278 Ca 0.10 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.23 1jkh h GLN 278 Cb 0.52 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 1jkh h GLN 278 CO -0.34 0.45 0.06 -0.07 -0.95 0.00 0.00 178.83 177.97 1jkh h LEU 279 N 0.70 0.39 -1.23 1.46 3.38 -1.83 -2.95 115.31 115.23 1jkh h LEU 279 Ca 0.24 -0.24 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1jkh h LEU 279 Cb 0.02 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 1jkh h LEU 279 CO -0.10 0.53 0.57 0.00 0.09 0.00 0.00 178.44 179.53 1jkh h LYS 281 N 0.83 0.76 0.00 0.00 1.57 -1.30 0.10 116.57 118.53 1jkh h LYS 281 Ca 0.42 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1jkh h LYS 281 Cb 0.49 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1jkh h LYS 281 CO -0.18 0.50 0.32 -0.07 -0.57 0.00 0.00 179.45 179.45 1jkh h LEU 282 N 0.78 0.00 0.00 2.94 3.38 -1.12 0.18 115.31 121.47 1jkh h LEU 282 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1jkh h LEU 282 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1jkh h LEU 282 CO -0.07 0.00 -1.48 0.18 0.09 0.00 0.00 178.44 177.16 1jkh n LEU 283 N -2.86 0.44 -4.72 1.67 4.32 -0.01 -4.96 117.00 110.87 1jkh n LEU 283 Ca -0.02 -0.12 -0.66 0.00 -0.02 0.00 0.00 56.01 55.20 1jkh n LEU 283 Cb 0.37 -0.02 -0.09 0.00 -1.62 0.00 0.00 43.42 42.05 1jkh n LEU 283 CO 0.13 0.06 1.12 0.54 -1.22 0.00 0.00 177.39 178.03 1jkh n ARG 284 N -2.02 0.17 0.00 3.23 1.74 0.61 -4.59 116.66 115.80 1jkh n ARG 284 Ca -0.00 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1jkh n ARG 284 Cb 0.48 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 1jkh n ARG 284 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jkh n GLY 285 N 3.79 3.03 2.77 -0.13 0.00 -1.26 -4.90 105.19 108.50 1jkh n GLY 285 Ca 0.29 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 1jkh n GLY 285 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jkh n THR 286 N -0.15 4.97 -2.08 2.61 -2.24 -1.26 -5.00 114.28 111.12 1jkh n THR 286 Ca 0.00 -4.87 -0.29 0.00 -2.27 0.00 0.00 64.05 56.62 1jkh n THR 286 Cb 0.00 -2.15 0.04 0.00 -2.10 0.00 0.00 70.33 66.13 1jkh n THR 286 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1jkh s LYS 287 N -1.17 2.80 0.89 -0.78 0.00 -1.26 -5.03 119.74 115.18 1jkh s LYS 287 Ca 0.41 0.24 -0.12 0.00 0.00 0.00 0.00 55.97 56.51 1jkh s LYS 287 Cb 0.12 -2.11 0.10 0.00 0.00 0.00 0.00 37.83 35.93 1jkh s LYS 287 CO -0.01 -0.96 0.95 0.00 0.00 0.00 0.00 175.35 175.33 1jkh n ALA 288 N -2.87 -1.08 0.12 0.59 0.00 -1.26 -4.90 120.51 111.10 1jkh n ALA 288 Ca 0.06 -0.50 -0.02 0.00 0.00 0.00 0.00 53.44 52.99 1jkh n ALA 288 Cb 0.58 -2.10 0.08 0.00 0.00 0.00 0.00 19.45 18.01 1jkh n ALA 288 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1jkh h LEU 289 N -1.49 0.00 0.00 0.00 5.85 -1.97 -3.27 115.31 114.43 1jkh h LEU 289 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1jkh h LEU 289 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1jkh h LEU 289 CO 0.41 0.71 -0.66 0.35 -0.34 0.00 0.00 178.44 178.91 1jkh n THR 290 N -3.54 0.27 -1.59 1.05 -2.24 -1.26 -1.53 114.28 105.44 1jkh n THR 290 Ca -0.00 -0.22 -0.47 0.00 -2.27 0.00 0.00 64.05 61.08 1jkh n THR 290 Cb 0.73 -0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 1jkh n THR 290 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1jkh n GLU 291 N -1.99 1.28 -2.92 -0.78 2.13 -1.23 -4.62 120.64 112.51 1jkh n GLU 291 Ca 0.03 0.46 -0.42 0.00 0.66 0.00 0.00 57.16 57.89 1jkh n GLU 291 Cb 0.42 -1.92 -0.05 0.00 0.27 0.00 0.00 31.44 30.17 1jkh n GLU 291 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1jkh s VAL 292 N -0.46 4.86 -0.23 6.31 1.01 -1.26 -1.71 120.40 128.92 1jkh s VAL 292 Ca 0.68 1.51 -0.09 0.00 0.00 0.00 0.00 61.98 64.08 1jkh s VAL 292 Cb -0.79 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 31.46 1jkh s VAL 292 CO 0.54 -0.04 0.11 -0.63 0.00 0.00 0.00 175.10 175.08 1jkh s ILE 293 N 2.70 4.95 -0.16 2.22 -1.09 0.23 -4.97 121.20 125.09 1jkh s ILE 293 Ca 0.34 0.04 -0.29 0.00 -2.23 0.00 0.00 60.65 58.51 1jkh s ILE 293 Cb -0.15 -3.29 -0.00 0.00 -1.58 0.00 0.00 42.46 37.43 1jkh s ILE 293 CO 0.08 0.37 0.99 -2.16 -1.23 0.00 0.00 174.94 172.99 1jkh s PRO 294 N 1.06 4.34 0.67 2.79 0.04 -1.26 -4.21 135.00 138.44 1jkh s PRO 294 Ca 0.06 1.32 -0.16 0.00 0.04 0.00 0.00 61.00 62.25 1jkh s PRO 294 Cb -0.14 -3.58 0.01 0.00 0.04 0.00 0.00 34.50 30.83 1jkh s PRO 294 CO 0.04 -0.43 1.19 -0.51 0.04 0.00 0.00 177.00 177.33 1jkh s LEU 295 N 2.46 3.44 0.40 -3.56 1.43 -1.26 -5.04 118.68 116.54 1jkh s LEU 295 Ca 0.45 2.30 0.06 0.00 -1.03 0.00 0.00 54.13 55.92 1jkh s LEU 295 Cb -0.17 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.47 1jkh s LEU 295 CO 0.13 -1.94 0.56 0.42 0.23 0.00 0.00 176.35 175.75 1jkh s THR 296 N -1.92 3.47 0.36 5.49 -4.23 -1.26 -4.95 115.64 112.59 1jkh s THR 296 Ca 0.74 -0.92 0.20 0.00 -1.18 0.00 0.00 61.69 60.53 1jkh s THR 296 Cb -0.28 -3.20 0.20 0.00 1.34 0.00 0.00 72.50 70.55 1jkh s THR 296 CO 0.41 -0.09 1.93 -0.33 -0.54 0.00 0.00 174.62 176.00 1jkh h GLU 297 N 0.65 0.00 -0.00 3.99 4.39 -1.98 -0.44 114.58 121.19 1jkh h GLU 297 Ca -0.43 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.20 1jkh h GLU 297 Cb 1.27 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.93 1jkh h GLU 297 CO 0.50 0.24 -0.28 0.93 -1.16 0.00 0.00 179.01 179.24 1jkh h GLU 298 N 0.00 0.19 -0.73 2.33 3.07 -1.99 -2.13 114.58 115.33 1jkh h GLU 298 Ca -0.00 -0.20 -0.04 0.00 -0.50 0.00 0.00 59.36 58.62 1jkh h GLU 298 Cb 0.52 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.46 1jkh h GLU 298 CO 0.03 0.94 0.31 0.00 -1.40 0.00 0.00 179.01 178.88 1jkh h ALA 299 N 0.26 0.94 -0.33 3.43 0.00 -1.81 0.96 119.26 122.71 1jkh h ALA 299 Ca -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1jkh h ALA 299 Cb 1.03 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1jkh h ALA 299 CO 0.05 0.55 0.15 0.93 0.00 0.00 0.00 179.25 180.94 1jkh h GLU 300 N 1.04 0.46 -0.23 0.00 5.08 -1.12 0.26 114.58 120.07 1jkh h GLU 300 Ca 0.24 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.38 1jkh h GLU 300 Cb 0.19 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1jkh h GLU 300 CO -0.02 0.36 -0.57 1.25 -1.00 0.00 0.00 179.01 179.04 1jkh h LEU 301 N 0.46 0.90 -0.91 1.33 5.85 -0.61 0.77 115.31 123.10 1jkh h LEU 301 Ca 0.12 -0.56 0.04 0.00 0.84 0.00 0.00 57.88 58.31 1jkh h LEU 301 Cb 0.06 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 1jkh h LEU 301 CO -0.02 1.30 0.59 -0.08 -0.34 0.00 0.00 178.44 179.89 1jkh h GLU 302 N 0.54 1.09 0.01 1.25 4.81 0.76 0.39 114.58 123.43 1jkh h GLU 302 Ca -0.01 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1jkh h GLU 302 Cb 1.18 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1jkh h GLU 302 CO 0.12 0.72 -0.00 -0.07 -0.73 0.00 0.00 179.01 179.05 1jkh h LEU 303 N 1.12 -0.01 -0.72 1.64 3.38 -0.49 -2.44 115.31 117.79 1jkh h LEU 303 Ca 0.37 -0.58 0.15 0.00 0.09 0.00 0.00 57.88 57.91 1jkh h LEU 303 Cb 0.04 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.66 1jkh h LEU 303 CO -0.13 0.58 -0.10 0.00 0.09 0.00 0.00 178.44 178.87 1jkh h ALA 304 N 0.38 0.59 -0.73 1.53 0.00 -0.31 -0.07 119.26 120.65 1jkh h ALA 304 Ca -0.00 0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1jkh h ALA 304 Cb 0.59 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1jkh h ALA 304 CO 0.00 -0.42 0.30 1.49 0.00 0.00 0.00 179.25 180.62 1jkh h GLU 305 N 0.04 1.07 -0.20 0.00 4.81 -0.24 -3.03 114.58 117.02 1jkh h GLU 305 Ca 0.36 -0.18 -0.16 0.00 -0.13 0.00 0.00 59.36 59.26 1jkh h GLU 305 Cb 0.59 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1jkh h GLU 305 CO -0.69 0.86 -0.48 -0.91 -0.73 0.00 0.00 179.01 177.05 1jkh h ASN 306 N 1.05 0.78 -0.65 1.04 2.35 -0.56 -2.23 115.58 117.35 1jkh h ASN 306 Ca 0.25 -0.57 0.13 0.00 -0.55 0.00 0.00 56.30 55.56 1jkh h ASN 306 Cb 0.18 -0.22 -0.10 0.00 0.05 0.00 0.00 38.32 38.23 1jkh h ASN 306 CO -0.02 1.20 0.13 0.03 -1.65 0.00 0.00 177.43 177.12 1jkh h ARG 307 N 0.39 0.24 -0.64 0.81 3.08 -1.17 -0.79 114.38 116.30 1jkh h ARG 307 Ca -0.00 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1jkh h ARG 307 Cb 1.10 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.06 1jkh h ARG 307 CO 0.11 0.16 0.21 0.93 -1.07 0.00 0.00 179.97 180.30 1jkh h GLU 308 N 0.25 0.98 0.00 0.04 4.39 -1.44 -1.95 114.58 116.86 1jkh h GLU 308 Ca 0.35 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1jkh h GLU 308 Cb 0.55 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1jkh h GLU 308 CO -0.45 0.86 -0.03 0.82 -1.16 0.00 0.00 179.01 179.05 1jkh h ILE 309 N 0.91 1.01 -0.00 3.13 2.04 -0.57 -2.34 117.51 121.69 1jkh h ILE 309 Ca 0.21 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1jkh h ILE 309 Cb 0.28 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1jkh h ILE 309 CO -0.01 0.03 -0.34 0.18 0.00 0.00 0.00 178.15 178.01 1jkh n LEU 310 N -4.49 0.69 -0.01 1.44 4.77 -0.48 -4.27 117.00 114.65 1jkh n LEU 310 Ca -0.03 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1jkh n LEU 310 Cb 0.12 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1jkh n LEU 310 CO 0.34 0.14 0.14 0.29 -1.33 0.00 0.00 177.39 176.98 1jkh n LYS 311 N -1.10 0.28 -3.50 3.23 5.02 -0.79 -4.42 118.16 116.88 1jkh n LYS 311 Ca 0.09 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.29 1jkh n LYS 311 Cb 0.34 -1.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.32 1jkh n LYS 311 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1jkh s GLU 312 N -1.97 0.95 0.44 1.97 2.02 -1.26 -5.07 118.70 115.78 1jkh s GLU 312 Ca 0.00 -0.36 -0.24 0.00 0.02 0.00 0.00 54.97 54.39 1jkh s GLU 312 Cb 0.00 0.43 -0.08 0.00 0.10 0.00 0.00 34.13 34.58 1jkh s GLU 312 CO 0.00 -0.42 1.17 -2.14 0.02 0.00 0.00 175.26 173.89 1jkh s PRO 313 N -3.28 3.87 0.22 0.39 0.02 -1.26 -4.95 135.00 130.00 1jkh s PRO 313 Ca 0.04 1.80 -0.32 0.00 0.02 0.00 0.00 61.00 62.54 1jkh s PRO 313 Cb -0.01 -2.50 -0.12 0.00 0.02 0.00 0.00 34.50 31.88 1jkh s PRO 313 CO -0.09 -0.47 1.64 1.55 -0.33 0.00 0.00 177.00 179.30 1jkh n VAL 314 N -0.29 0.26 -0.73 3.83 3.14 -1.26 -4.94 118.33 118.34 1jkh n VAL 314 Ca 0.06 -0.06 -0.32 0.00 -2.96 0.00 0.00 64.34 61.06 1jkh n VAL 314 Cb 0.47 -1.84 0.15 0.00 -1.06 0.00 0.00 33.84 31.56 1jkh n VAL 314 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1jkh n HIS 315 N 3.35 -0.64 -3.49 1.45 8.25 -1.26 -4.25 115.22 118.63 1jkh n HIS 315 Ca 0.15 0.27 -0.19 0.00 -0.26 0.00 0.00 57.72 57.68 1jkh n HIS 315 Cb 0.34 -1.84 0.06 0.00 1.12 0.00 0.00 29.99 29.66 1jkh n HIS 315 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jkh n GLY 316 N 1.08 -0.62 2.96 -1.41 0.00 -1.26 -5.01 105.19 100.93 1jkh n GLY 316 Ca 0.08 0.27 -0.31 0.00 0.00 0.00 0.00 46.02 46.07 1jkh n GLY 316 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jkh s VAL 317 N -3.47 1.62 0.14 1.61 1.01 -1.26 -5.11 120.40 114.93 1jkh s VAL 317 Ca 0.17 -1.26 0.08 0.00 0.00 0.00 0.00 61.98 60.97 1jkh s VAL 317 Cb -0.03 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1jkh s VAL 317 CO 0.77 -0.07 -0.17 -0.31 0.00 0.00 0.00 175.10 175.31 1jkh s TYR 318 N 1.36 1.67 0.03 5.22 2.02 -1.26 -5.01 117.35 121.37 1jkh s TYR 318 Ca -0.06 -0.48 -0.27 0.00 -0.37 0.00 0.00 57.07 55.88 1jkh s TYR 318 Cb -0.19 -0.87 -0.04 0.00 -0.40 0.00 0.00 41.96 40.46 1jkh s TYR 318 CO -0.06 0.24 0.87 -0.47 -1.57 0.00 0.00 175.55 174.56 1jkh s TYR 319 N -1.86 3.70 -0.27 2.71 6.14 -1.26 -5.05 117.35 121.47 1jkh s TYR 319 Ca 0.11 1.58 -0.05 0.00 0.64 0.00 0.00 57.07 59.35 1jkh s TYR 319 Cb -0.07 -2.97 0.01 0.00 0.42 0.00 0.00 41.96 39.35 1jkh s TYR 319 CO 0.05 0.13 0.04 0.34 0.64 0.00 0.00 175.55 176.75 1jkh s ASP 320 N 0.45 4.87 0.50 4.32 -1.08 -1.26 -4.99 116.67 119.47 1jkh s ASP 320 Ca 0.45 -0.67 0.27 0.00 -0.52 0.00 0.00 52.55 52.08 1jkh s ASP 320 Cb -0.21 -1.82 1.24 0.00 -1.46 0.00 0.00 42.92 40.67 1jkh s ASP 320 CO 0.25 -0.15 1.96 -0.65 0.52 0.00 0.00 175.17 177.11 1jkh h PRO 321 N 8.17 0.00 -0.00 4.34 0.11 -2.01 -2.65 132.00 139.96 1jkh h PRO 321 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1jkh h PRO 321 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1jkh h PRO 321 CO 0.60 0.15 0.00 -1.13 -0.21 0.00 0.00 178.00 177.40 1jkh n SER 322 N -3.43 0.01 -4.14 -2.05 3.41 -1.26 -4.82 113.62 101.34 1jkh n SER 322 Ca -0.01 -1.99 -0.15 0.00 -0.26 0.00 0.00 58.87 56.46 1jkh n SER 322 Cb 0.33 -0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.16 1jkh n SER 322 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1jkh s LYS 323 N -2.00 0.75 0.46 4.33 2.20 -1.00 -5.14 119.74 119.34 1jkh s LYS 323 Ca 0.00 -1.01 -0.23 0.00 -0.36 0.00 0.00 55.97 54.37 1jkh s LYS 323 Cb 0.00 -0.51 -0.07 0.00 -1.51 0.00 0.00 37.83 35.73 1jkh s LYS 323 CO 0.00 0.09 1.17 -0.51 -0.36 0.00 0.00 175.35 175.74 1jkh s ASP 324 N -2.09 6.18 0.14 1.43 1.01 -1.26 -4.90 116.67 117.19 1jkh s ASP 324 Ca -0.00 2.32 -0.09 0.00 0.71 0.00 0.00 52.55 55.49 1jkh s ASP 324 Cb -0.06 -2.60 -0.06 0.00 1.01 0.00 0.00 42.92 41.20 1jkh s ASP 324 CO 0.00 -0.91 0.45 -0.22 0.21 0.00 0.00 175.17 174.71 1jkh s LEU 325 N -2.99 4.28 -0.05 1.23 2.96 -1.26 -4.50 118.68 118.35 1jkh s LEU 325 Ca 0.63 0.81 0.01 0.00 -0.22 0.00 0.00 54.13 55.36 1jkh s LEU 325 Cb -0.29 -3.28 0.02 0.00 0.50 0.00 0.00 46.19 43.14 1jkh s LEU 325 CO 0.35 0.07 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.78 1jkh s ILE 326 N -1.58 0.53 -0.28 6.68 1.01 0.12 -2.07 121.20 125.63 1jkh s ILE 326 Ca 0.39 -0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.92 1jkh s ILE 326 Cb -0.13 -0.57 0.03 0.00 0.01 0.00 0.00 42.46 41.80 1jkh s ILE 326 CO 0.21 0.23 -0.02 0.00 0.00 0.00 0.00 174.94 175.36 1jkh s ALA 327 N 1.05 2.79 -0.12 9.38 0.00 -0.56 -0.30 121.76 134.00 1jkh s ALA 327 Ca -0.09 -1.59 -0.03 0.00 0.00 0.00 0.00 51.96 50.25 1jkh s ALA 327 Cb -0.14 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.10 1jkh s ALA 327 CO -0.01 -1.03 0.01 -2.00 0.00 0.00 0.00 175.76 172.74 1jkh s GLU 328 N 1.31 3.29 0.01 0.00 2.12 -0.28 -1.96 118.70 123.19 1jkh s GLU 328 Ca -0.02 -0.40 0.05 0.00 0.36 0.00 0.00 54.97 54.96 1jkh s GLU 328 Cb -0.18 -2.90 -0.02 0.00 0.26 0.00 0.00 34.13 31.29 1jkh s GLU 328 CO -0.02 0.56 -0.17 0.42 -0.54 0.00 0.00 175.26 175.51 1jkh s ILE 329 N -0.47 1.32 0.01 -3.70 1.01 -1.19 -1.45 121.20 116.74 1jkh s ILE 329 Ca 0.09 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 59.96 1jkh s ILE 329 Cb -0.12 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 1jkh s ILE 329 CO 0.02 0.27 -0.19 -1.10 0.00 0.00 0.00 174.94 173.94 1jkh s GLN 330 N -0.65 1.44 -0.30 2.79 1.11 -0.38 -4.22 119.66 119.44 1jkh s GLN 330 Ca 0.06 -0.78 -0.25 0.00 0.01 0.00 0.00 55.36 54.40 1jkh s GLN 330 Cb -0.07 -1.46 0.00 0.00 -1.01 0.00 0.00 33.01 30.48 1jkh s GLN 330 CO 0.00 0.39 0.85 0.21 0.01 0.00 0.00 175.29 176.75 1jkh s LYS 331 N -0.77 4.02 0.17 2.91 2.20 -1.26 -2.49 119.74 124.52 1jkh s LYS 331 Ca 0.07 0.75 0.23 0.00 -0.36 0.00 0.00 55.97 56.66 1jkh s LYS 331 Cb -0.08 -3.71 0.02 0.00 -1.51 0.00 0.00 37.83 32.55 1jkh s LYS 331 CO 0.00 -0.69 1.04 1.04 -0.36 0.00 0.00 175.35 176.38 1jkh n GLN 332 N 6.30 0.54 0.00 4.03 1.13 -0.37 -4.99 117.38 124.01 1jkh n GLN 332 Ca 0.06 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 1jkh n GLN 332 Cb 0.48 -1.77 0.00 0.00 0.11 0.00 0.00 30.24 29.06 1jkh n GLN 332 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jkh n GLY 333 N 1.22 0.68 2.63 1.08 0.00 -1.18 -4.88 105.19 104.75 1jkh n GLY 333 Ca 0.00 -1.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.08 1jkh n GLY 333 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jkh n GLN 334 N 0.95 -1.71 0.00 1.61 6.02 -1.26 -1.58 117.38 121.41 1jkh n GLN 334 Ca 0.00 0.73 0.00 0.00 -0.01 0.00 0.00 57.00 57.72 1jkh n GLN 334 Cb 0.00 -5.01 0.00 0.00 1.02 0.00 0.00 30.24 26.25 1jkh n GLN 334 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jkh n GLY 335 N 0.29 0.49 3.87 1.08 0.00 -1.26 -4.94 105.19 104.71 1jkh n GLY 335 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 1jkh n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jkh s GLN 336 N -0.87 3.73 -0.15 1.61 1.11 -0.61 -4.21 119.66 120.26 1jkh s GLN 336 Ca 0.00 0.14 -0.04 0.00 0.01 0.00 0.00 55.36 55.47 1jkh s GLN 336 Cb 0.00 -3.07 0.07 0.00 -1.01 0.00 0.00 33.01 29.00 1jkh s GLN 336 CO 0.00 0.62 0.16 -1.58 0.01 0.00 0.00 175.29 174.49 1jkh s TRP 337 N -1.29 -0.09 0.25 0.91 0.52 -0.85 -1.24 118.94 117.15 1jkh s TRP 337 Ca 0.29 0.17 -0.06 0.00 0.02 0.00 0.00 56.10 56.52 1jkh s TRP 337 Cb -0.14 -0.44 -0.06 0.00 -1.15 0.00 0.00 33.47 31.68 1jkh s TRP 337 CO 0.16 -0.46 0.52 0.95 0.02 0.00 0.00 176.95 178.14 1jkh s THR 338 N 2.25 5.04 0.08 2.01 -4.23 -1.04 -1.43 115.64 118.32 1jkh s THR 338 Ca 0.04 0.10 -0.12 0.00 -1.18 0.00 0.00 61.69 60.54 1jkh s THR 338 Cb -0.15 -3.69 0.01 0.00 1.34 0.00 0.00 72.50 70.01 1jkh s THR 338 CO -0.09 -0.21 0.27 -0.72 -0.54 0.00 0.00 174.62 173.34 1jkh s TYR 339 N -1.95 -0.02 -0.02 3.99 1.13 -0.44 -1.25 117.35 118.79 1jkh s TYR 339 Ca 0.44 -0.28 0.01 0.00 -1.41 0.00 0.00 57.07 55.82 1jkh s TYR 339 Cb -0.11 0.06 0.02 0.00 -1.10 0.00 0.00 41.96 40.83 1jkh s TYR 339 CO 0.27 -0.56 -0.01 -0.65 -2.51 0.00 0.00 175.55 172.10 1jkh s GLN 340 N -3.34 0.25 -0.16 -3.49 1.11 -0.53 -0.18 119.66 113.33 1jkh s GLN 340 Ca 0.01 0.03 -0.05 0.00 0.01 0.00 0.00 55.36 55.35 1jkh s GLN 340 Cb 0.02 -0.37 -0.03 0.00 -1.01 0.00 0.00 33.01 31.61 1jkh s GLN 340 CO -0.08 -0.08 0.01 0.42 0.01 0.00 0.00 175.29 175.57 1jkh s ILE 341 N 0.67 4.35 0.22 1.08 1.01 0.13 -1.13 121.20 127.54 1jkh s ILE 341 Ca -0.07 -0.20 -0.23 0.00 0.00 0.00 0.00 60.65 60.16 1jkh s ILE 341 Cb -0.10 -2.92 0.05 0.00 0.01 0.00 0.00 42.46 39.50 1jkh s ILE 341 CO -0.01 0.50 0.87 -0.72 0.00 0.00 0.00 174.94 175.58 1jkh s TYR 342 N 0.16 -0.11 0.00 3.97 -0.85 0.59 -1.43 117.35 119.68 1jkh s TYR 342 Ca 0.02 -0.30 0.00 0.00 -0.52 0.00 0.00 57.07 56.27 1jkh s TYR 342 Cb -0.13 0.69 0.00 0.00 0.38 0.00 0.00 41.96 42.90 1jkh s TYR 342 CO 0.02 -1.05 0.00 1.04 -1.52 0.00 0.00 175.55 174.04 1jkh n GLN 343 N -0.49 0.71 -4.92 -3.49 6.02 -1.26 0.14 117.38 114.09 1jkh n GLN 343 Ca -0.05 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.62 1jkh n GLN 343 Cb 0.60 -1.00 -0.14 0.00 1.02 0.00 0.00 30.24 30.72 1jkh n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1jkh s GLU 344 N -2.00 2.15 0.20 -1.09 0.41 -1.26 -4.92 118.70 112.19 1jkh s GLU 344 Ca 0.00 -0.91 -0.33 0.00 -0.41 0.00 0.00 54.97 53.32 1jkh s GLU 344 Cb 0.00 -2.17 -0.14 0.00 -1.78 0.00 0.00 34.13 30.04 1jkh s GLU 344 CO 0.00 0.56 1.49 -2.30 -0.49 0.00 0.00 175.26 174.52 1jkh n PRO 345 N 2.00 2.08 -0.86 0.39 -0.02 -1.26 -2.38 135.00 134.95 1jkh n PRO 345 Ca -0.16 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1jkh n PRO 345 Cb 0.52 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1jkh n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1jkh n PHE 346 N 2.65 0.00 -3.77 6.00 3.01 -1.26 -4.92 117.46 119.18 1jkh n PHE 346 Ca 0.14 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.29 1jkh n PHE 346 Cb 0.30 -0.55 -0.10 0.00 -0.01 0.00 0.00 39.48 39.12 1jkh n PHE 346 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1jkh n LYS 347 N -1.93 2.20 -2.30 -1.08 5.02 -1.00 -4.83 118.16 114.24 1jkh n LYS 347 Ca 0.00 -4.51 -0.42 0.00 -2.02 0.00 0.00 58.31 51.36 1jkh n LYS 347 Cb 0.03 -2.33 -0.03 0.00 -0.02 0.00 0.00 35.03 32.68 1jkh n LYS 347 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1jkh s ASN 348 N -1.12 6.95 0.24 4.39 0.01 -1.26 -4.39 114.94 119.76 1jkh s ASN 348 Ca 0.27 2.17 0.19 0.00 -0.71 0.00 0.00 52.86 54.78 1jkh s ASN 348 Cb -0.04 -2.58 0.05 0.00 0.41 0.00 0.00 41.25 39.10 1jkh s ASN 348 CO -0.14 -0.56 1.20 -0.07 -1.51 0.00 0.00 177.10 176.02 1jkh h LEU 349 N 6.83 0.00 -7.00 0.60 3.38 -1.62 -3.47 115.31 114.02 1jkh h LEU 349 Ca -0.42 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.68 1jkh h LEU 349 Cb 1.21 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.70 1jkh h LEU 349 CO 0.84 0.26 0.67 -0.75 0.09 0.00 0.00 178.44 179.55 1jkh s LYS 350 N -3.13 0.38 0.04 1.13 2.20 -1.04 -4.72 119.74 114.60 1jkh s LYS 350 Ca 0.02 0.19 -0.04 0.00 -0.36 0.00 0.00 55.97 55.78 1jkh s LYS 350 Cb 0.08 0.18 -0.02 0.00 -1.51 0.00 0.00 37.83 36.56 1jkh s LYS 350 CO 0.76 -0.10 0.05 0.95 -0.36 0.00 0.00 175.35 176.65 1jkh s THR 351 N -0.69 0.15 0.00 3.43 -4.23 -1.07 0.21 115.64 113.44 1jkh s THR 351 Ca 0.03 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.33 1jkh s THR 351 Cb -0.02 -0.91 0.00 0.00 1.34 0.00 0.00 72.50 72.91 1jkh s THR 351 CO -0.04 -0.67 0.00 0.61 -0.54 0.00 0.00 174.62 173.98 1jkh n GLY 352 N 0.78 1.55 3.14 3.99 0.00 0.75 -3.69 105.19 111.72 1jkh n GLY 352 Ca -0.19 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 1jkh n GLY 352 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jkh s LYS 353 N -1.77 0.60 0.00 1.61 2.20 -1.26 -1.32 119.74 119.80 1jkh s LYS 353 Ca 0.00 -0.58 0.01 0.00 -0.36 0.00 0.00 55.97 55.04 1jkh s LYS 353 Cb 0.00 0.25 -0.01 0.00 -1.51 0.00 0.00 37.83 36.56 1jkh s LYS 353 CO 0.00 -0.16 -0.05 -0.47 -0.36 0.00 0.00 175.35 174.31 1jkh s TYR 354 N -2.18 0.41 0.00 4.03 5.04 -0.52 -4.98 117.35 119.16 1jkh s TYR 354 Ca -0.08 -0.11 0.00 0.00 -2.44 0.00 0.00 57.07 54.44 1jkh s TYR 354 Cb -0.03 -0.27 0.00 0.00 0.35 0.00 0.00 41.96 42.01 1jkh s TYR 354 CO -0.02 -0.01 0.00 0.00 -1.34 0.00 0.00 175.55 174.17 1jkh n ALA 355 N 2.85 0.00 -0.31 3.97 0.00 -1.26 -2.01 120.51 123.75 1jkh n ALA 355 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1jkh n ALA 355 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1jkh n ALA 355 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1jkh n ARG 356 N 0.00 0.00 -2.17 0.00 -4.01 -1.26 -4.93 116.66 104.29 1jkh n ARG 356 Ca 0.00 0.00 -0.02 0.00 -1.04 0.00 0.00 57.85 56.79 1jkh n ARG 356 Cb 0.00 0.00 0.01 0.00 -3.04 0.00 0.00 32.46 29.43 1jkh n ARG 356 CO 0.00 0.00 0.00 -1.33 -3.04 0.00 0.00 177.63 173.26 1jkh n MET 357 N 14.00 -0.75 -0.14 2.89 2.81 -1.26 -4.83 117.12 129.84 1jkh n MET 357 Ca 0.00 0.10 -0.05 0.00 -1.81 0.00 0.00 57.70 55.94 1jkh n MET 357 Cb 0.00 -2.88 -0.00 0.00 -0.71 0.00 0.00 33.22 29.63 1jkh n MET 357 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1jkh n ARG 358 N -1.35 0.00 0.00 0.03 1.74 -1.26 -1.83 116.66 113.99 1jkh n ARG 358 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1jkh n ARG 358 Cb 0.52 -0.10 0.00 0.00 -1.02 0.00 0.00 32.46 31.86 1jkh n ARG 358 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jkh n GLY 359 N 0.21 2.66 0.49 -0.13 0.00 -1.26 -4.69 105.19 102.46 1jkh n GLY 359 Ca 0.02 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 45.91 1jkh n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jkh n ALA 360 N 0.00 2.52 0.16 4.61 0.00 -0.76 -4.46 120.51 122.58 1jkh n ALA 360 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1jkh n ALA 360 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1jkh n ALA 360 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1jkh n HIS 361 N 0.20 0.00 -2.54 0.00 1.44 -1.26 -0.34 115.22 112.72 1jkh n HIS 361 Ca 0.15 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.89 1jkh n HIS 361 Cb 0.29 -0.01 0.02 0.00 0.12 0.00 0.00 29.99 30.42 1jkh n HIS 361 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1jkh n THR 362 N -1.75 0.24 -3.53 0.61 -2.24 -1.26 -5.02 114.28 101.33 1jkh n THR 362 Ca -0.00 -1.32 -0.29 0.00 -2.27 0.00 0.00 64.05 60.17 1jkh n THR 362 Cb 0.74 1.04 -0.13 0.00 -2.10 0.00 0.00 70.33 69.88 1jkh n THR 362 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1jkh s ASN 363 N -2.29 3.32 0.36 3.42 3.84 0.54 -4.99 114.94 119.15 1jkh s ASN 363 Ca 0.31 -1.82 0.06 0.00 0.21 0.00 0.00 52.86 51.62 1jkh s ASN 363 Cb 0.36 -0.46 0.74 0.00 -0.55 0.00 0.00 41.25 41.35 1jkh s ASN 363 CO -0.14 -0.37 1.97 0.44 -2.79 0.00 0.00 177.10 176.21 1jkh h ASP 364 N 7.63 0.65 -0.04 -4.21 3.45 -1.96 -2.13 116.42 119.82 1jkh h ASP 364 Ca -0.06 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.25 1jkh h ASP 364 Cb 0.99 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.61 1jkh h ASP 364 CO 0.36 0.43 -0.45 0.58 -1.57 0.00 0.00 179.24 178.59 1jkh h VAL 365 N 0.75 1.31 0.67 -1.35 2.07 -1.96 0.06 116.25 117.79 1jkh h VAL 365 Ca 0.30 -1.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.14 1jkh h VAL 365 Cb 0.23 1.62 0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1jkh h VAL 365 CO -0.10 0.52 -0.32 0.50 0.02 0.00 0.00 177.57 178.19 1jkh h LYS 366 N 0.47 -0.87 -0.58 1.57 3.64 -1.82 -0.69 116.57 118.31 1jkh h LYS 366 Ca 0.03 0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.58 1jkh h LYS 366 Cb 0.97 0.20 -0.11 0.00 -0.41 0.00 0.00 32.23 32.88 1jkh h LYS 366 CO 0.09 -0.54 -0.19 1.96 -2.27 0.00 0.00 179.45 178.50 1jkh h GLN 367 N -1.12 -0.05 -0.59 1.90 4.20 -1.37 0.18 115.11 118.27 1jkh h GLN 367 Ca -0.09 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1jkh h GLN 367 Cb 0.72 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.49 1jkh h GLN 367 CO 0.15 -0.03 0.35 1.25 -0.67 0.00 0.00 178.83 179.88 1jkh h LEU 368 N -0.05 0.71 -0.47 1.46 6.46 -0.93 0.14 115.31 122.64 1jkh h LEU 368 Ca 0.27 -0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.93 1jkh h LEU 368 Cb 0.47 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.20 1jkh h LEU 368 CO -0.62 0.57 0.16 0.71 -0.62 0.00 0.00 178.44 178.64 1jkh h THR 369 N 0.79 1.22 -0.39 1.05 1.35 0.00 0.34 112.91 117.27 1jkh h THR 369 Ca 0.21 -0.71 0.01 0.00 -0.55 0.00 0.00 66.41 65.37 1jkh h THR 369 Cb -0.01 0.81 -0.02 0.00 -1.73 0.00 0.00 68.15 67.20 1jkh h THR 369 CO -0.04 0.26 0.25 -0.33 -0.25 0.00 0.00 175.52 175.41 1jkh h GLU 370 N 0.61 0.49 -0.30 4.72 5.08 -0.26 -1.90 114.58 123.02 1jkh h GLU 370 Ca 0.15 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1jkh h GLU 370 Cb 0.24 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 1jkh h GLU 370 CO -0.01 0.33 -0.02 0.00 -1.00 0.00 0.00 179.01 178.31 1jkh h ALA 371 N 1.15 0.25 -0.76 3.43 0.00 -0.22 0.14 119.26 123.25 1jkh h ALA 371 Ca 0.15 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1jkh h ALA 371 Cb -0.04 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1jkh h ALA 371 CO -0.04 -0.43 0.50 0.28 0.00 0.00 0.00 179.25 179.56 1jkh h VAL 372 N 0.06 1.16 -0.01 0.00 2.07 -0.61 -0.46 116.25 118.46 1jkh h VAL 372 Ca 0.14 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1jkh h VAL 372 Cb 0.20 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1jkh h VAL 372 CO -0.26 0.18 -0.01 1.56 0.02 0.00 0.00 177.57 179.06 1jkh h GLN 373 N 0.99 0.02 -0.89 1.57 4.20 -0.52 -1.28 115.11 119.20 1jkh h GLN 373 Ca 0.29 -0.01 0.13 0.00 0.06 0.00 0.00 58.65 59.11 1jkh h GLN 373 Cb -0.05 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.65 1jkh h GLN 373 CO -0.07 0.53 0.51 -0.22 -0.67 0.00 0.00 178.83 178.91 1jkh h LYS 374 N -0.48 0.76 0.00 1.46 3.64 -0.37 -0.56 116.57 121.02 1jkh h LYS 374 Ca 0.00 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1jkh h LYS 374 Cb 0.53 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1jkh h LYS 374 CO 0.00 0.51 -0.28 0.82 -2.27 0.00 0.00 179.45 178.23 1jkh h ILE 375 N 0.79 0.56 0.12 2.00 2.04 -1.02 -2.57 117.51 119.43 1jkh h ILE 375 Ca 0.46 -1.45 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 1jkh h ILE 375 Cb 0.53 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 1jkh h ILE 375 CO -0.30 0.27 -0.06 0.74 0.00 0.00 0.00 178.15 178.81 1jkh h THR 376 N 0.00 0.82 -0.61 -0.27 2.02 0.07 -1.42 112.91 113.52 1jkh h THR 376 Ca -0.00 -1.30 0.12 0.00 0.77 0.00 0.00 66.41 66.01 1jkh h THR 376 Cb 0.98 1.44 -0.11 0.00 -1.74 0.00 0.00 68.15 68.73 1jkh h THR 376 CO 0.04 0.24 -0.11 0.71 0.37 0.00 0.00 175.52 176.77 1jkh h THR 377 N -0.92 0.42 -0.41 3.16 1.35 -1.23 0.42 112.91 115.69 1jkh h THR 377 Ca -0.02 -0.01 0.05 0.00 -0.55 0.00 0.00 66.41 65.89 1jkh h THR 377 Cb 0.51 0.38 -0.05 0.00 -1.73 0.00 0.00 68.15 67.27 1jkh h THR 377 CO 0.03 0.01 0.14 -0.08 -0.25 0.00 0.00 175.52 175.36 1jkh h GLU 378 N 0.03 0.29 -0.05 4.72 4.81 -1.50 0.11 114.58 122.99 1jkh h GLU 378 Ca 0.30 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.47 1jkh h GLU 378 Cb 0.47 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1jkh h GLU 378 CO -0.60 0.19 -0.19 1.03 -0.73 0.00 0.00 179.01 178.71 1jkh h SER 379 N 0.30 0.07 0.37 1.04 0.87 0.30 -1.90 113.55 114.60 1jkh h SER 379 Ca 0.19 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1jkh h SER 379 Cb 0.18 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1jkh h SER 379 CO -0.20 0.28 -0.18 0.40 -0.53 0.00 0.00 176.83 176.60 1jkh h ILE 380 N 0.08 0.52 -0.22 2.23 2.04 0.12 -0.92 117.51 121.35 1jkh h ILE 380 Ca 0.01 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.28 1jkh h ILE 380 Cb 0.39 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1jkh h ILE 380 CO 0.03 0.10 -0.31 0.58 0.00 0.00 0.00 178.15 178.55 1jkh h VAL 381 N -0.90 0.00 0.19 1.67 2.07 -0.69 3.18 116.25 121.77 1jkh h VAL 381 Ca -0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1jkh h VAL 381 Cb 0.54 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1jkh h VAL 381 CO 0.08 0.00 -0.27 0.40 0.02 0.00 0.00 177.57 177.81 1jkh h ILE 382 N -0.22 0.00 -0.01 4.57 2.04 -1.43 -3.36 117.51 119.09 1jkh h ILE 382 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1jkh h ILE 382 Cb 0.33 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1jkh h ILE 382 CO -0.33 0.00 -0.27 0.79 0.00 0.00 0.00 178.15 178.35 1jkh n TRP 383 N -3.96 0.00 -3.40 1.37 8.01 -0.38 -4.78 117.44 114.29 1jkh n TRP 383 Ca -0.06 0.00 -0.19 0.00 -1.31 0.00 0.00 57.50 55.94 1jkh n TRP 383 Cb 0.23 0.00 0.07 0.00 -2.01 0.00 0.00 31.31 29.60 1jkh n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1jkh n GLY 384 N 1.04 -0.34 3.49 6.99 0.00 1.06 -4.96 105.19 112.46 1jkh n GLY 384 Ca 0.06 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 1jkh n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jkh s LYS 385 N -5.84 1.01 0.25 1.61 -2.85 -1.24 -4.97 119.74 107.71 1jkh s LYS 385 Ca 0.34 -0.14 -0.09 0.00 -1.00 0.00 0.00 55.97 55.08 1jkh s LYS 385 Cb -0.15 0.47 -0.07 0.00 -2.06 0.00 0.00 37.83 36.02 1jkh s LYS 385 CO 0.65 -0.39 0.56 0.95 0.10 0.00 0.00 175.35 177.21 1jkh s THR 386 N -2.52 4.95 0.20 3.79 -4.23 -1.26 -3.46 115.64 113.10 1jkh s THR 386 Ca -0.02 0.39 -0.07 0.00 -1.18 0.00 0.00 61.69 60.81 1jkh s THR 386 Cb -0.01 -3.65 -0.06 0.00 1.34 0.00 0.00 72.50 70.12 1jkh s THR 386 CO -0.04 -0.14 0.48 -2.16 -0.54 0.00 0.00 174.62 172.22 1jkh s PRO 387 N -3.02 3.72 -0.20 3.99 0.04 -1.26 -4.70 135.00 133.57 1jkh s PRO 387 Ca 0.47 0.12 -0.25 0.00 0.04 0.00 0.00 61.00 61.37 1jkh s PRO 387 Cb -0.11 -2.72 -0.01 0.00 0.04 0.00 0.00 34.50 31.70 1jkh s PRO 387 CO 0.24 0.37 0.83 0.21 0.04 0.00 0.00 177.00 178.68 1jkh s LYS 388 N -2.81 4.24 0.26 4.56 2.36 -0.88 -4.17 119.74 123.30 1jkh s LYS 388 Ca 0.45 0.98 -0.13 0.00 -2.55 0.00 0.00 55.97 54.72 1jkh s LYS 388 Cb -0.11 -3.61 -0.08 0.00 -1.05 0.00 0.00 37.83 32.98 1jkh s LYS 388 CO 0.23 -0.42 0.63 -0.06 1.55 0.00 0.00 175.35 177.29 1jkh s PHE 389 N 2.47 3.44 -0.39 4.03 0.40 0.81 -1.50 117.98 127.24 1jkh s PHE 389 Ca 0.37 1.07 0.03 0.00 -0.60 0.00 0.00 56.93 57.79 1jkh s PHE 389 Cb -0.16 -2.41 0.11 0.00 0.51 0.00 0.00 43.02 41.08 1jkh s PHE 389 CO 0.10 0.22 0.12 0.15 0.70 0.00 0.00 175.22 176.51 1jkh s LYS 390 N -2.72 1.48 -0.15 0.44 1.02 -0.83 -0.93 119.74 118.04 1jkh s LYS 390 Ca 0.49 -1.96 -0.16 0.00 0.02 0.00 0.00 55.97 54.36 1jkh s LYS 390 Cb -0.12 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.16 1jkh s LYS 390 CO 0.19 -1.01 0.38 -0.51 -0.92 0.00 0.00 175.35 173.49 1jkh s LEU 391 N 0.67 4.24 -1.39 3.17 1.43 0.16 -3.16 118.68 123.79 1jkh s LEU 391 Ca 0.13 0.62 -0.16 0.00 -1.03 0.00 0.00 54.13 53.69 1jkh s LEU 391 Cb -0.21 -2.52 0.05 0.00 0.03 0.00 0.00 46.19 43.54 1jkh s LEU 391 CO -0.08 0.03 2.02 -0.81 0.23 0.00 0.00 176.35 177.74 1jkh n PRO 392 N 3.79 2.98 -3.45 1.29 -0.04 -1.26 -0.69 135.00 137.62 1jkh n PRO 392 Ca -0.09 -2.87 -0.12 0.00 -0.04 0.00 0.00 63.50 60.38 1jkh n PRO 392 Cb 0.52 -3.38 -0.02 0.00 -0.04 0.00 0.00 33.50 30.58 1jkh n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1jkh s ILE 393 N 3.69 0.00 0.20 0.52 2.07 -1.25 -4.93 121.20 121.50 1jkh s ILE 393 Ca 0.50 0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 59.46 1jkh s ILE 393 Cb 0.10 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.61 1jkh s ILE 393 CO -0.02 0.00 0.87 -1.58 -1.91 0.00 0.00 174.94 172.31 1jkh s GLN 394 N -3.33 4.72 0.20 3.50 0.74 -1.26 -4.21 119.66 120.03 1jkh s GLN 394 Ca 0.01 1.34 -0.18 0.00 0.05 0.00 0.00 55.36 56.58 1jkh s GLN 394 Cb -0.01 -3.28 0.17 0.00 1.10 0.00 0.00 33.01 30.99 1jkh s GLN 394 CO -0.10 0.51 1.60 -0.22 -0.55 0.00 0.00 175.29 176.53 1jkh h LYS 395 N 4.37 -0.11 -0.48 1.67 3.64 -1.97 -2.34 116.57 121.35 1jkh h LYS 395 Ca -0.46 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.00 1jkh h LYS 395 Cb 1.20 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.99 1jkh h LYS 395 CO 0.68 -0.07 0.15 0.93 -2.27 0.00 0.00 179.45 178.87 1jkh h GLU 396 N -0.11 0.31 0.06 1.90 3.07 -1.98 -0.31 114.58 117.51 1jkh h GLU 396 Ca 0.26 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.11 1jkh h GLU 396 Cb 0.53 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1jkh h GLU 396 CO -0.68 0.20 -0.10 1.15 -1.40 0.00 0.00 179.01 178.19 1jkh h THR 397 N 0.32 0.76 -0.67 1.13 2.02 -1.84 -2.19 112.91 112.43 1jkh h THR 397 Ca 0.23 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.34 1jkh h THR 397 Cb 0.26 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 1jkh h THR 397 CO -0.26 0.00 0.14 -0.25 0.37 0.00 0.00 175.52 175.52 1jkh h TRP 398 N -0.20 1.16 0.00 3.16 2.91 -1.22 -3.07 115.95 118.68 1jkh h TRP 398 Ca 0.02 -0.15 -0.05 0.00 1.13 0.00 0.00 58.89 59.84 1jkh h TRP 398 Cb 0.22 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 28.54 1jkh h TRP 398 CO -0.13 0.96 -0.23 0.93 -1.03 0.00 0.00 178.44 178.94 1jkh h GLU 399 N 1.02 0.00 0.03 2.65 5.08 -0.93 -1.49 114.58 120.93 1jkh h GLU 399 Ca 0.21 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1jkh h GLU 399 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1jkh h GLU 399 CO 0.01 0.23 -0.01 1.15 -1.00 0.00 0.00 179.01 179.38 1jkh h THR 400 N 0.00 1.37 0.00 1.13 2.02 -1.30 -3.42 112.91 112.71 1jkh h THR 400 Ca -0.00 -1.28 -0.03 0.00 0.77 0.00 0.00 66.41 65.87 1jkh h THR 400 Cb 0.71 2.22 -0.01 0.00 -1.74 0.00 0.00 68.15 69.33 1jkh h THR 400 CO 0.03 0.32 -1.59 0.79 0.37 0.00 0.00 175.52 175.44 1jkh n TRP 401 N -4.84 0.00 -0.39 3.16 8.01 -1.20 -4.68 117.44 117.50 1jkh n TRP 401 Ca -0.09 0.00 0.35 0.00 -1.31 0.00 0.00 57.50 56.45 1jkh n TRP 401 Cb 0.28 -0.32 0.68 0.00 -2.01 0.00 0.00 31.31 29.95 1jkh n TRP 401 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.69 176.79 1jkh h TRP 402 N 0.00 0.25 0.00 -5.99 5.08 -1.51 0.59 115.95 114.37 1jkh h TRP 402 Ca -0.04 0.01 -0.04 0.00 1.08 0.00 0.00 58.89 59.90 1jkh h TRP 402 Cb 0.71 -0.07 -0.01 0.00 -3.00 0.00 0.00 29.16 26.80 1jkh h TRP 402 CO 0.00 -0.02 -0.20 1.79 -1.28 0.00 0.00 178.44 178.73 1jkh h THR 403 N 0.11 0.68 0.00 0.12 1.35 -1.83 -2.34 112.91 111.01 1jkh h THR 403 Ca 0.66 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1jkh h THR 403 Cb 2.31 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 70.28 1jkh h THR 403 CO -0.15 0.20 0.00 -0.62 -0.25 0.00 0.00 175.52 174.70 1jkh n GLU 404 N -3.63 0.05 -0.00 4.72 -0.58 0.21 -3.55 120.64 117.86 1jkh n GLU 404 Ca -0.01 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 1jkh n GLU 404 Cb 0.33 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 1jkh n GLU 404 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1jkh n TYR 405 N -1.66 0.00 -2.69 -0.32 4.02 -0.92 -5.01 117.16 110.58 1jkh n TYR 405 Ca 0.04 -0.17 -0.33 0.00 -0.01 0.00 0.00 57.90 57.43 1jkh n TYR 405 Cb 0.25 -0.02 -0.05 0.00 -0.02 0.00 0.00 39.34 39.50 1jkh n TYR 405 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 1jkh s TRP 406 N -0.35 3.19 0.00 -0.72 -0.11 -0.96 -4.78 118.94 115.20 1jkh s TRP 406 Ca 0.00 1.59 0.00 0.00 1.22 0.00 0.00 56.10 58.91 1jkh s TRP 406 Cb 0.00 -2.94 0.00 0.00 -1.50 0.00 0.00 33.47 29.03 1jkh s TRP 406 CO 0.00 -0.41 0.44 1.04 -4.62 0.00 0.00 176.95 173.40 1jkh n GLN 407 N -0.80 0.00 -2.99 5.86 6.02 -1.26 -4.55 117.38 119.66 1jkh n GLN 407 Ca 0.08 -0.36 -0.20 0.00 -0.01 0.00 0.00 57.00 56.51 1jkh n GLN 407 Cb 0.53 -0.27 0.06 0.00 1.02 0.00 0.00 30.24 31.58 1jkh n GLN 407 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jkh s ALA 408 N 0.00 4.59 -0.64 -1.58 0.00 -1.26 -4.73 121.76 118.14 1jkh s ALA 408 Ca 0.00 -2.04 0.19 0.00 0.00 0.00 0.00 51.96 50.11 1jkh s ALA 408 Cb 0.00 -1.54 -0.24 0.00 0.00 0.00 0.00 23.12 21.34 1jkh s ALA 408 CO 0.00 -0.85 0.70 0.25 0.00 0.00 0.00 175.76 175.86 1jkh n THR 409 N -2.26 0.00 -4.30 0.00 -2.24 -1.26 -4.96 114.28 99.27 1jkh n THR 409 Ca 0.15 -0.17 -0.24 0.00 -2.27 0.00 0.00 64.05 61.52 1jkh n THR 409 Cb 0.61 0.71 -0.08 0.00 -2.10 0.00 0.00 70.33 69.47 1jkh n THR 409 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1jkh s TRP 410 N -2.99 2.59 -0.13 4.78 1.48 -1.26 -4.59 118.94 118.82 1jkh s TRP 410 Ca 0.03 -0.37 -0.03 0.00 -1.06 0.00 0.00 56.10 54.67 1jkh s TRP 410 Cb 0.14 -1.41 0.05 0.00 -1.16 0.00 0.00 33.47 31.09 1jkh s TRP 410 CO 0.80 0.51 0.05 0.42 -4.06 0.00 0.00 176.95 174.67 1jkh s ILE 411 N -2.45 0.16 1.13 0.66 1.01 -1.26 -5.00 121.20 115.44 1jkh s ILE 411 Ca 0.34 -0.06 -0.19 0.00 0.00 0.00 0.00 60.65 60.74 1jkh s ILE 411 Cb -0.02 -0.58 0.26 0.00 0.01 0.00 0.00 42.46 42.13 1jkh s ILE 411 CO 0.20 -0.04 1.20 -2.16 0.00 0.00 0.00 174.94 174.14 1jkh s PRO 412 N 2.04 -0.67 0.18 2.79 0.04 -1.26 -4.93 135.00 133.20 1jkh s PRO 412 Ca 0.03 -0.27 -0.00 0.00 0.04 0.00 0.00 61.00 60.80 1jkh s PRO 412 Cb -0.15 -1.68 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 1jkh s PRO 412 CO -0.07 -3.31 0.36 -1.21 0.04 0.00 0.00 177.00 172.82 1jkh s GLU 413 N -5.64 3.51 0.13 4.56 0.41 -1.26 -5.00 118.70 115.40 1jkh s GLU 413 Ca 0.73 -0.38 -0.20 0.00 -0.41 0.00 0.00 54.97 54.71 1jkh s GLU 413 Cb -0.06 -2.87 0.05 0.00 -1.78 0.00 0.00 34.13 29.47 1jkh s GLU 413 CO 0.55 0.43 0.50 1.67 -0.49 0.00 0.00 175.26 177.92 1jkh s TRP 414 N -1.82 -0.37 0.05 1.61 -2.14 -1.26 -0.13 118.94 114.88 1jkh s TRP 414 Ca 0.38 0.15 -0.03 0.00 2.66 0.00 0.00 56.10 59.26 1jkh s TRP 414 Cb -0.11 0.39 -0.03 0.00 -3.10 0.00 0.00 33.47 30.62 1jkh s TRP 414 CO 0.29 -0.75 0.03 -1.83 -2.66 0.00 0.00 176.95 172.03 1jkh s GLU 415 N -3.56 0.63 0.02 3.25 -1.05 -0.10 -4.93 118.70 112.95 1jkh s GLU 415 Ca 0.01 -1.05 0.01 0.00 -0.15 0.00 0.00 54.97 53.79 1jkh s GLU 415 Cb 0.00 0.23 -0.04 0.00 -0.44 0.00 0.00 34.13 33.89 1jkh s GLU 415 CO -0.11 -0.14 0.05 -0.06 0.95 0.00 0.00 175.26 175.95 1jkh s PHE 416 N -3.50 3.18 0.21 4.83 0.40 -1.26 -0.67 117.98 121.17 1jkh s PHE 416 Ca 0.03 0.12 -0.00 0.00 -0.60 0.00 0.00 56.93 56.48 1jkh s PHE 416 Cb 0.05 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.86 1jkh s PHE 416 CO -0.09 0.51 0.14 0.14 0.70 0.00 0.00 175.22 176.63 1jkh s VAL 417 N -1.20 0.00 -0.62 -0.44 -7.23 0.13 -4.87 120.40 106.17 1jkh s VAL 417 Ca 0.23 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.38 1jkh s VAL 417 Cb -0.12 -2.50 0.16 0.00 0.56 0.00 0.00 36.38 34.48 1jkh s VAL 417 CO 0.14 0.00 0.43 0.20 -0.31 0.00 0.00 175.10 175.57 1jkh s ASN 418 N -3.18 5.17 -0.05 4.85 0.01 -1.26 -3.77 114.94 116.72 1jkh s ASN 418 Ca 0.39 -2.88 -0.38 0.00 -0.71 0.00 0.00 52.86 49.28 1jkh s ASN 418 Cb 0.07 -1.84 -0.16 0.00 0.41 0.00 0.00 41.25 39.73 1jkh s ASN 418 CO 0.13 -0.36 1.53 0.41 -1.51 0.00 0.00 177.10 177.30 1jkh n THR 419 N 3.44 0.14 -1.86 1.60 -1.04 -1.26 -4.91 114.28 110.39 1jkh n THR 419 Ca 0.08 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.05 61.66 1jkh n THR 419 Cb 0.37 -1.06 0.00 0.00 -1.82 0.00 0.00 70.33 67.83 1jkh n THR 419 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1jkh s PRO 420 N 1.79 3.97 0.31 -2.82 0.02 -1.26 -4.88 135.00 132.12 1jkh s PRO 420 Ca 0.90 2.44 0.02 0.00 0.02 0.00 0.00 61.00 64.38 1jkh s PRO 420 Cb -0.97 -2.85 0.59 0.00 0.02 0.00 0.00 34.50 31.29 1jkh s PRO 420 CO 0.53 -0.60 1.90 -1.35 -0.33 0.00 0.00 177.00 177.15 1jkh h PRO 421 N 2.76 0.93 0.00 5.54 0.11 -2.03 -3.13 132.00 136.18 1jkh h PRO 421 Ca -0.51 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1jkh h PRO 421 Cb 1.25 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1jkh h PRO 421 CO 0.63 0.61 0.00 1.28 -0.21 0.00 0.00 178.00 180.31 1jkh n LEU 422 N -4.51 0.09 -0.20 2.35 4.32 -1.26 -3.47 117.00 114.32 1jkh n LEU 422 Ca 0.15 0.82 0.15 0.00 -0.02 0.00 0.00 56.01 57.11 1jkh n LEU 422 Cb 0.26 -0.43 0.23 0.00 -1.62 0.00 0.00 43.42 41.86 1jkh n LEU 422 CO 0.32 -0.43 0.42 0.52 -1.22 0.00 0.00 177.39 176.99 1jkh n VAL 423 N -1.79 0.00 -0.07 4.08 0.31 -1.18 0.31 118.33 119.98 1jkh n VAL 423 Ca 0.00 0.42 -0.10 0.00 -0.01 0.00 0.00 64.34 64.65 1jkh n VAL 423 Cb 0.00 -0.70 -0.08 0.00 -0.91 0.00 0.00 33.84 32.15 1jkh n VAL 423 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1jkh h LYS 424 N 0.00 0.00 -0.06 5.55 3.11 -1.59 -3.29 116.57 120.29 1jkh h LYS 424 Ca 0.26 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 58.12 1jkh h LYS 424 Cb 1.06 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.29 1jkh h LYS 424 CO -0.00 0.63 0.11 -0.07 -2.81 0.00 0.00 179.45 177.30 1jkh h LEU 425 N -1.00 0.00 0.12 5.20 -0.00 -0.19 -0.38 115.31 119.05 1jkh h LEU 425 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.83 1jkh h LEU 425 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.36 1jkh h LEU 425 CO -0.03 0.00 -0.06 -0.50 -0.00 0.00 0.00 178.44 177.86 1jkh h TRP 426 N 0.00 -0.15 0.00 1.13 -0.00 -1.65 -3.25 115.95 112.03 1jkh h TRP 426 Ca 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.92 1jkh h TRP 426 Cb 0.25 0.05 0.00 0.00 -0.00 0.00 0.00 29.16 29.46 1jkh h TRP 426 CO 0.00 0.34 0.00 0.66 -0.00 0.00 0.00 178.44 179.44 1jkh n TYR 427 N -4.89 0.95 0.11 0.49 4.01 -1.04 -4.93 117.16 111.85 1jkh n TYR 427 Ca -0.08 0.28 0.01 0.00 -0.16 0.00 0.00 57.90 57.95 1jkh n TYR 427 Cb 0.28 -0.95 0.05 0.00 -0.31 0.00 0.00 39.34 38.40 1jkh n TYR 427 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34