#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkh s SER 3 N 0.00 6.09 -0.30 7.28 0.01 0.05 -4.59 113.70 122.24 1jkh s SER 3 Ca 0.00 1.63 0.07 0.00 1.31 0.00 0.00 55.95 58.96 1jkh s SER 3 Cb 0.00 -2.51 0.46 0.00 0.21 0.00 0.00 66.02 64.18 1jkh s SER 3 CO 0.00 -0.96 1.19 -0.81 0.41 0.00 0.00 173.24 173.08 1jkh n PRO 4 N -2.16 3.60 -3.99 12.44 -0.04 -1.26 -4.67 135.00 138.92 1jkh n PRO 4 Ca 0.07 -4.18 -0.36 0.00 -0.04 0.00 0.00 63.50 59.00 1jkh n PRO 4 Cb 0.54 -2.28 -0.08 0.00 -0.04 0.00 0.00 33.50 31.64 1jkh n PRO 4 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1jkh s ILE 5 N -4.64 5.10 -0.36 0.52 1.10 -1.26 -5.04 121.20 116.62 1jkh s ILE 5 Ca 0.51 0.06 -0.44 0.00 -0.51 0.00 0.00 60.65 60.27 1jkh s ILE 5 Cb 0.41 -3.23 -0.19 0.00 0.15 0.00 0.00 42.46 39.59 1jkh s ILE 5 CO 0.03 0.56 1.52 1.21 -2.11 0.00 0.00 174.94 176.16 1jkh n GLU 6 N 2.50 0.21 -1.06 3.50 4.07 -1.26 -4.72 120.64 123.88 1jkh n GLU 6 Ca -0.19 0.08 -0.31 0.00 -0.06 0.00 0.00 57.16 56.69 1jkh n GLU 6 Cb 0.54 -1.61 0.13 0.00 -0.06 0.00 0.00 31.44 30.44 1jkh n GLU 6 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1jkh s THR 7 N 2.48 2.80 -0.12 6.31 -4.23 -1.26 -5.01 115.64 116.62 1jkh s THR 7 Ca 1.01 0.26 -0.10 0.00 -1.18 0.00 0.00 61.69 61.68 1jkh s THR 7 Cb -1.38 -2.60 -0.05 0.00 1.34 0.00 0.00 72.50 69.81 1jkh s THR 7 CO 0.74 -0.34 0.22 -0.69 -0.54 0.00 0.00 174.62 174.01 1jkh s VAL 8 N -2.82 5.37 -0.37 2.29 1.01 -1.26 -4.98 120.40 119.63 1jkh s VAL 8 Ca 0.63 0.39 -0.29 0.00 0.00 0.00 0.00 61.98 62.71 1jkh s VAL 8 Cb -0.19 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1jkh s VAL 8 CO 0.57 0.55 1.45 -2.16 0.00 0.00 0.00 175.10 175.50 1jkh s PRO 9 N -0.58 3.62 0.24 2.72 0.04 -1.26 -4.23 135.00 135.56 1jkh s PRO 9 Ca 0.16 1.09 0.08 0.00 0.04 0.00 0.00 61.00 62.37 1jkh s PRO 9 Cb -0.13 -4.02 -0.04 0.00 0.04 0.00 0.00 34.50 30.35 1jkh s PRO 9 CO 0.05 -1.50 0.07 0.08 0.04 0.00 0.00 177.00 175.74 1jkh s VAL 10 N 5.38 3.89 0.10 -0.36 1.01 -1.26 -5.13 120.40 124.02 1jkh s VAL 10 Ca 0.63 -1.61 -0.14 0.00 0.00 0.00 0.00 61.98 60.86 1jkh s VAL 10 Cb -0.16 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.19 1jkh s VAL 10 CO 0.31 -0.30 0.33 -0.54 0.00 0.00 0.00 175.10 174.90 1jkh s LYS 11 N -3.56 0.98 0.26 2.72 1.02 -1.26 -4.87 119.74 115.03 1jkh s LYS 11 Ca 0.31 -0.75 -0.16 0.00 0.02 0.00 0.00 55.97 55.39 1jkh s LYS 11 Cb -0.08 0.42 -0.08 0.00 -0.52 0.00 0.00 37.83 37.57 1jkh s LYS 11 CO 0.21 -0.36 0.70 -0.51 -0.92 0.00 0.00 175.35 174.48 1jkh s LEU 12 N -2.72 4.20 0.08 3.17 1.43 -1.26 -2.13 118.68 121.44 1jkh s LEU 12 Ca 0.02 1.29 -0.36 0.00 -1.03 0.00 0.00 54.13 54.05 1jkh s LEU 12 Cb 0.02 -3.80 -0.18 0.00 0.03 0.00 0.00 46.19 42.26 1jkh s LEU 12 CO -0.11 -0.08 1.08 0.29 0.23 0.00 0.00 176.35 177.76 1jkh n LYS 13 N 0.16 0.47 -1.28 1.70 5.02 -0.66 -4.67 118.16 118.90 1jkh n LYS 13 Ca 0.00 0.17 -0.43 0.00 -2.02 0.00 0.00 58.31 56.03 1jkh n LYS 13 Cb 0.52 -1.63 -0.02 0.00 -0.02 0.00 0.00 35.03 33.87 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 1.71 0.00 0.00 1.97 -0.02 -1.26 -2.23 135.00 135.16 1jkh n PRO 14 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1jkh n PRO 14 Cb 0.16 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 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 1.88 1.93 3.07 -1.23 0.00 -1.26 -4.93 105.19 104.64 1jkh n GLY 15 Ca 0.16 0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1jkh n GLY 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jkh n MET 16 N 0.00 -0.03 -3.63 1.61 2.81 -0.95 -5.04 117.12 111.89 1jkh n MET 16 Ca 0.00 -0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.74 1jkh n MET 16 Cb 0.00 -1.12 -0.07 0.00 -0.71 0.00 0.00 33.22 31.32 1jkh n MET 16 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1jkh s ASP 17 N -1.14 -0.71 -0.81 7.83 2.15 -1.26 -4.67 116.67 118.07 1jkh s ASP 17 Ca 0.43 1.31 0.01 0.00 0.43 0.00 0.00 52.55 54.73 1jkh s ASP 17 Cb -0.20 1.31 0.35 0.00 -0.30 0.00 0.00 42.92 44.08 1jkh s ASP 17 CO 0.80 -0.28 1.60 0.61 -0.17 0.00 0.00 175.17 177.73 1jkh n GLY 18 N 2.52 5.86 3.39 2.66 0.00 -1.26 -5.01 105.19 113.35 1jkh n GLY 18 Ca -0.14 -2.62 -0.35 0.00 0.00 0.00 0.00 46.02 42.90 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 -3.99 3.53 0.00 1.61 0.04 -1.26 -4.44 135.00 130.49 1jkh s PRO 19 Ca 0.46 -0.55 0.00 0.00 0.04 0.00 0.00 61.00 60.94 1jkh s PRO 19 Cb 0.30 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.72 1jkh s PRO 19 CO -0.21 -0.13 0.00 1.63 0.04 0.00 0.00 177.00 178.32 1jkh n LYS 20 N 4.67 0.00 0.00 4.56 5.02 -1.26 -4.85 118.16 126.30 1jkh n LYS 20 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 1jkh n LYS 20 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 1jkh n LYS 20 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1jkh n VAL 21 N 0.00 0.00 -1.14 -0.18 3.14 -1.26 -4.25 118.33 114.64 1jkh n VAL 21 Ca 0.00 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.06 1jkh n VAL 21 Cb 0.00 0.00 0.12 0.00 -1.06 0.00 0.00 33.84 32.90 1jkh n VAL 21 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1jkh s LYS 22 N 0.00 1.81 0.16 1.45 -2.85 -1.26 -4.28 119.74 114.77 1jkh s LYS 22 Ca 0.00 1.50 -0.31 0.00 -1.00 0.00 0.00 55.97 56.16 1jkh s LYS 22 Cb 0.00 -1.82 -0.08 0.00 -2.06 0.00 0.00 37.83 33.87 1jkh s LYS 22 CO 0.00 -2.03 1.33 -1.14 0.10 0.00 0.00 175.35 173.61 1jkh s GLN 23 N -4.45 4.36 -1.12 1.78 2.00 -1.26 -4.58 119.66 116.38 1jkh s GLN 23 Ca 0.67 2.04 -0.17 0.00 -2.00 0.00 0.00 55.36 55.91 1jkh s GLN 23 Cb -0.23 -3.23 0.13 0.00 0.80 0.00 0.00 33.01 30.48 1jkh s GLN 23 CO 0.52 -0.33 1.41 -0.46 -0.50 0.00 0.00 175.29 175.93 1jkh s TRP 24 N 0.57 3.14 -0.34 1.67 -0.11 -1.26 -4.99 118.94 117.62 1jkh s TRP 24 Ca 0.60 -1.67 -0.39 0.00 1.22 0.00 0.00 56.10 55.85 1jkh s TRP 24 Cb -0.36 -4.44 -0.17 0.00 -1.50 0.00 0.00 33.47 27.00 1jkh s TRP 24 CO 0.34 -1.57 1.29 -2.30 -4.62 0.00 0.00 176.95 170.10 1jkh n PRO 25 N 6.82 0.00 -3.97 5.86 -0.02 -1.26 -4.92 135.00 137.50 1jkh n PRO 25 Ca 0.35 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.60 1jkh n PRO 25 Cb 0.46 -1.30 -0.06 0.00 -0.02 0.00 0.00 33.50 32.59 1jkh n PRO 25 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jkh s LEU 26 N 2.07 3.27 1.47 2.45 1.43 -1.26 -5.11 118.68 123.00 1jkh s LEU 26 Ca 0.88 -0.84 -0.24 0.00 -1.03 0.00 0.00 54.13 52.91 1jkh s LEU 26 Cb -1.26 -1.75 0.38 0.00 0.03 0.00 0.00 46.19 43.59 1jkh s LEU 26 CO 0.66 -0.45 0.88 0.35 0.23 0.00 0.00 176.35 178.03 1jkh n THR 27 N -1.28 0.00 0.21 5.49 -2.24 -1.26 -4.71 114.28 110.49 1jkh n THR 27 Ca -0.01 -0.04 0.10 0.00 -2.27 0.00 0.00 64.05 61.83 1jkh n THR 27 Cb 0.62 -0.99 0.17 0.00 -2.10 0.00 0.00 70.33 68.04 1jkh n THR 27 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1jkh h GLU 28 N -3.60 0.00 -0.02 -0.78 4.11 -2.00 -2.54 114.58 109.76 1jkh h GLU 28 Ca -0.42 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 58.78 1jkh h GLU 28 Cb 1.34 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.60 1jkh h GLU 28 CO 0.26 0.10 -0.94 1.49 0.07 0.00 0.00 179.01 179.99 1jkh h GLU 29 N 0.00 0.54 0.09 1.06 4.81 -1.99 -3.11 114.58 115.98 1jkh h GLU 29 Ca -0.00 -0.55 -0.16 0.00 -0.13 0.00 0.00 59.36 58.52 1jkh h GLU 29 Cb 1.04 0.15 0.02 0.00 0.63 0.00 0.00 28.75 30.59 1jkh h GLU 29 CO 0.01 1.18 -0.68 0.87 -0.73 0.00 0.00 179.01 179.66 1jkh h LYS 30 N 0.31 0.30 -0.44 1.92 1.57 -1.91 -2.63 116.57 115.69 1jkh h LYS 30 Ca -0.09 -0.44 0.13 0.00 -1.87 0.00 0.00 60.65 58.37 1jkh h LYS 30 Cb 1.58 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 34.03 1jkh h LYS 30 CO 0.17 1.18 0.34 0.82 -0.57 0.00 0.00 179.45 181.40 1jkh h ILE 31 N -0.37 0.68 0.00 1.86 2.04 -1.56 -0.53 117.51 119.64 1jkh h ILE 31 Ca -0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1jkh h ILE 31 Cb 1.50 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 1jkh h ILE 31 CO 0.13 0.00 -1.46 1.17 0.00 0.00 0.00 178.15 177.99 1jkh n LYS 32 N -4.24 0.33 0.00 2.37 3.00 -1.18 -2.79 118.16 115.65 1jkh n LYS 32 Ca 0.08 -0.09 0.15 0.00 -0.00 0.00 0.00 58.31 58.44 1jkh n LYS 32 Cb 0.54 -1.52 0.66 0.00 0.00 0.00 0.00 35.03 34.71 1jkh n LYS 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jkh n ALA 33 N -1.88 2.64 -0.01 3.14 0.00 -0.28 -2.58 120.51 121.54 1jkh n ALA 33 Ca 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 53.44 53.08 1jkh n ALA 33 Cb 0.45 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 1jkh n ALA 33 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jkh n LEU 34 N -0.30 0.00 -0.03 0.00 4.77 -0.76 -4.13 117.00 116.55 1jkh n LEU 34 Ca 0.20 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.14 1jkh n LEU 34 Cb 0.27 0.06 0.19 0.00 -2.33 0.00 0.00 43.42 41.61 1jkh n LEU 34 CO 0.18 0.06 0.78 0.58 -1.33 0.00 0.00 177.39 177.66 1jkh h VAL 35 N 0.00 1.25 0.00 4.08 2.07 -1.47 -2.59 116.25 119.59 1jkh h VAL 35 Ca -0.07 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.29 1jkh h VAL 35 Cb 0.87 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1jkh h VAL 35 CO 0.00 0.38 0.00 1.21 0.02 0.00 0.00 177.57 179.19 1jkh n GLU 36 N -4.16 0.00 -0.32 1.57 2.13 -1.06 -2.57 120.64 116.22 1jkh n GLU 36 Ca 0.00 0.40 0.30 0.00 0.66 0.00 0.00 57.16 58.53 1jkh n GLU 36 Cb 0.37 -1.11 0.56 0.00 0.27 0.00 0.00 31.44 31.53 1jkh n GLU 36 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1jkh n ILE 37 N -1.69 -0.42 -0.08 6.31 5.41 -1.25 -0.22 119.36 127.43 1jkh n ILE 37 Ca 0.00 2.02 -0.11 0.00 1.00 0.00 0.00 62.75 65.65 1jkh n ILE 37 Cb 0.00 -3.26 -0.05 0.00 -0.71 0.00 0.00 39.64 35.63 1jkh n ILE 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jkh h THR 39 N 0.17 0.63 0.00 0.00 2.02 -0.33 -0.65 112.91 114.75 1jkh h THR 39 Ca 0.06 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1jkh h THR 39 Cb 0.44 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1jkh h THR 39 CO 0.02 0.01 0.00 1.21 0.37 0.00 0.00 175.52 177.13 1jkh n GLU 40 N -4.34 0.00 -0.34 6.66 4.07 -1.01 -3.11 120.64 122.57 1jkh n GLU 40 Ca 0.16 0.22 0.08 0.00 -0.06 0.00 0.00 57.16 57.56 1jkh n GLU 40 Cb 0.81 -1.11 0.18 0.00 -0.06 0.00 0.00 31.44 31.26 1jkh n GLU 40 CO 0.00 0.00 0.00 0.52 -0.06 0.00 0.00 177.13 177.59 1jkh h MET 41 N 0.00 0.01 -0.94 5.31 2.86 -1.30 0.36 114.93 121.23 1jkh h MET 41 Ca 0.00 -0.00 0.24 0.00 -2.06 0.00 0.00 59.70 57.88 1jkh h MET 41 Cb 0.00 -0.00 -0.17 0.00 0.06 0.00 0.00 31.60 31.49 1jkh h MET 41 CO 0.00 0.01 -0.02 1.49 1.06 0.00 0.00 176.91 179.44 1jkh h GLU 42 N 0.01 0.03 0.25 1.72 4.81 -1.20 -0.83 114.58 119.37 1jkh h GLU 42 Ca 0.50 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.72 1jkh h GLU 42 Cb 0.87 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1jkh h GLU 42 CO -0.95 0.02 -0.12 0.87 -0.73 0.00 0.00 179.01 178.10 1jkh h LYS 43 N 0.03 -0.32 0.00 1.92 1.57 -0.23 -3.09 116.57 116.44 1jkh h LYS 43 Ca 0.54 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.34 1jkh h LYS 43 Cb 1.04 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1jkh h LYS 43 CO -0.88 0.04 0.32 0.39 -0.57 0.00 0.00 179.45 178.74 1jkh n GLU 44 N -5.05 0.07 -0.19 3.15 1.02 -0.39 -4.71 120.64 114.54 1jkh n GLU 44 Ca -0.09 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1jkh n GLU 44 Cb 0.26 -2.06 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 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 -1.27 0.62 0.00 0.62 0.00 -0.79 -4.86 105.19 99.50 1jkh n GLY 45 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1jkh n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jkh n LYS 46 N -2.02 0.00 -3.02 1.61 5.02 -0.99 -4.76 118.16 114.00 1jkh n LYS 46 Ca 0.00 0.46 -0.23 0.00 -2.02 0.00 0.00 58.31 56.53 1jkh n LYS 46 Cb 0.00 -1.26 0.01 0.00 -0.02 0.00 0.00 35.03 33.76 1jkh n LYS 46 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1jkh s ILE 47 N -2.05 4.03 -0.19 -0.18 -4.36 -1.24 -1.41 121.20 115.80 1jkh s ILE 47 Ca 0.00 -0.53 -0.05 0.00 -0.26 0.00 0.00 60.65 59.81 1jkh s ILE 47 Cb 0.00 -3.48 0.07 0.00 1.25 0.00 0.00 42.46 40.29 1jkh s ILE 47 CO 0.00 -0.33 0.09 -0.55 0.24 0.00 0.00 174.94 174.40 1jkh s SER 48 N -4.21 2.53 -0.37 4.36 0.15 -0.61 -4.17 113.70 111.38 1jkh s SER 48 Ca 0.48 -0.71 -0.41 0.00 0.70 0.00 0.00 55.95 56.00 1jkh s SER 48 Cb -0.10 -0.27 -0.16 0.00 -1.71 0.00 0.00 66.02 63.78 1jkh s SER 48 CO 0.37 -0.36 1.83 1.17 1.20 0.00 0.00 173.24 177.45 1jkh n LYS 49 N 5.27 0.74 0.00 5.44 4.81 -1.26 -3.13 118.16 130.03 1jkh n LYS 49 Ca -0.07 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1jkh n LYS 49 Cb 0.48 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.58 1jkh n LYS 49 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 1jkh n ILE 50 N 5.09 0.00 0.00 3.15 0.13 0.17 -4.95 119.36 122.95 1jkh n ILE 50 Ca 0.33 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.98 1jkh n ILE 50 Cb 0.08 -0.43 0.00 0.00 -0.84 0.00 0.00 39.64 38.45 1jkh n ILE 50 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1jkh n GLY 51 N 5.00 3.91 0.00 4.50 0.00 -1.26 -4.59 105.19 112.75 1jkh n GLY 51 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1jkh n GLY 51 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jkh n PRO 52 N 0.00 0.00 -2.79 1.61 -0.02 -1.26 -3.27 135.00 129.26 1jkh n PRO 52 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 1jkh n PRO 52 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.49 1jkh n PRO 52 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1jkh s GLU 53 N -4.84 0.92 -0.26 -0.52 8.01 -1.26 -5.14 118.70 115.62 1jkh s GLU 53 Ca 0.00 -0.86 -0.02 0.00 0.01 0.00 0.00 54.97 54.11 1jkh s GLU 53 Cb 0.00 -0.03 0.12 0.00 -4.31 0.00 0.00 34.13 29.92 1jkh s GLU 53 CO 0.00 -1.16 0.29 1.21 0.01 0.00 0.00 175.26 175.61 1jkh s ASN 54 N 1.00 1.39 0.25 -0.19 3.84 -1.20 -5.01 114.94 115.02 1jkh s ASN 54 Ca 0.27 -0.46 0.25 0.00 0.21 0.00 0.00 52.86 53.13 1jkh s ASN 54 Cb 0.01 0.56 0.53 0.00 -0.55 0.00 0.00 41.25 41.80 1jkh s ASN 54 CO -0.06 -0.36 1.58 1.55 -2.79 0.00 0.00 177.10 177.02 1jkh h PRO 55 N 8.27 0.00 -7.06 0.43 0.13 -1.94 -3.47 132.00 128.35 1jkh h PRO 55 Ca -0.15 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.53 1jkh h PRO 55 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1jkh h PRO 55 CO 0.31 0.00 0.35 0.71 -0.23 0.00 0.00 178.00 179.14 1jkh s TYR 56 N -3.16 3.26 -0.28 1.56 2.02 -1.26 -4.19 117.35 115.29 1jkh s TYR 56 Ca 0.08 1.60 -0.17 0.00 -0.37 0.00 0.00 57.07 58.21 1jkh s TYR 56 Cb 0.10 -2.89 0.11 0.00 -0.40 0.00 0.00 41.96 38.89 1jkh s TYR 56 CO 0.66 -0.23 0.84 1.21 -1.57 0.00 0.00 175.55 176.46 1jkh s ASN 57 N -2.15 -0.71 0.01 2.29 3.84 -1.24 -4.60 114.94 112.38 1jkh s ASN 57 Ca 0.63 1.15 0.04 0.00 0.21 0.00 0.00 52.86 54.89 1jkh s ASN 57 Cb -0.10 1.28 -0.03 0.00 -0.55 0.00 0.00 41.25 41.84 1jkh s ASN 57 CO 0.14 -0.18 -0.10 -0.89 -2.79 0.00 0.00 177.10 173.28 1jkh s THR 58 N 1.36 3.38 0.04 -5.21 2.01 0.16 -4.10 115.64 113.29 1jkh s THR 58 Ca -0.08 -0.87 -0.30 0.00 0.31 0.00 0.00 61.69 60.74 1jkh s THR 58 Cb -0.04 -2.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.98 1jkh s THR 58 CO -0.16 0.40 1.09 -2.16 -0.69 0.00 0.00 174.62 173.11 1jkh s PRO 59 N -1.35 4.50 0.03 4.92 0.04 -1.26 -2.84 135.00 139.05 1jkh s PRO 59 Ca 0.16 1.61 -0.06 0.00 0.04 0.00 0.00 61.00 62.75 1jkh s PRO 59 Cb -0.11 -3.39 -0.05 0.00 0.04 0.00 0.00 34.50 30.99 1jkh s PRO 59 CO 0.06 -0.13 0.28 0.54 0.04 0.00 0.00 177.00 177.79 1jkh s VAL 60 N 0.92 5.28 0.35 -0.36 0.11 -1.26 -2.51 120.40 122.93 1jkh s VAL 60 Ca 0.55 0.14 0.05 0.00 -2.93 0.00 0.00 61.98 59.80 1jkh s VAL 60 Cb -0.26 -3.58 -0.07 0.00 -1.53 0.00 0.00 36.38 30.94 1jkh s VAL 60 CO 0.29 0.32 0.02 -0.36 -3.33 0.00 0.00 175.10 172.04 1jkh s PHE 61 N -1.35 2.17 -0.17 1.54 0.08 -0.92 -4.68 117.98 114.64 1jkh s PHE 61 Ca 0.30 -0.81 -0.03 0.00 0.12 0.00 0.00 56.93 56.50 1jkh s PHE 61 Cb -0.13 -1.43 0.06 0.00 -0.57 0.00 0.00 43.02 40.94 1jkh s PHE 61 CO 0.18 0.21 0.05 0.00 -0.10 0.00 0.00 175.22 175.56 1jkh s ALA 62 N -3.04 0.78 0.05 5.36 0.00 -1.26 -3.22 121.76 120.43 1jkh s ALA 62 Ca 0.35 -0.49 0.06 0.00 0.00 0.00 0.00 51.96 51.87 1jkh s ALA 62 Cb 0.08 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1jkh s ALA 62 CO 0.16 -1.07 -0.11 0.42 0.00 0.00 0.00 175.76 175.16 1jkh s ILE 63 N 1.96 3.33 -0.39 0.00 1.09 -0.60 -4.95 121.20 121.64 1jkh s ILE 63 Ca 0.01 -1.08 -0.27 0.00 -1.10 0.00 0.00 60.65 58.21 1jkh s ILE 63 Cb -0.16 -2.48 -0.06 0.00 -1.06 0.00 0.00 42.46 38.69 1jkh s ILE 63 CO -0.08 0.26 2.35 -0.75 -0.10 0.00 0.00 174.94 176.62 1jkh s LYS 64 N -1.75 2.46 0.18 2.79 2.47 -1.26 -2.42 119.74 122.20 1jkh s LYS 64 Ca 0.18 1.64 -0.33 0.00 -1.56 0.00 0.00 55.97 55.90 1jkh s LYS 64 Cb -0.11 -4.51 -0.14 0.00 -1.46 0.00 0.00 37.83 31.61 1jkh s LYS 64 CO 0.10 -2.87 1.45 1.17 0.16 0.00 0.00 175.35 175.36 1jkh n LYS 65 N 8.92 1.88 -1.45 4.03 4.81 -1.25 -4.72 118.16 130.40 1jkh n LYS 65 Ca 0.34 0.68 -0.57 0.00 -0.87 0.00 0.00 58.31 57.89 1jkh n LYS 65 Cb 0.51 -2.37 -0.09 0.00 0.02 0.00 0.00 35.03 33.10 1jkh n LYS 65 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1jkh n LYS 66 N 2.69 0.54 -0.92 1.64 0.00 -1.26 0.11 118.16 120.96 1jkh n LYS 66 Ca 0.15 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.63 1jkh n LYS 66 Cb 0.28 -1.91 0.00 0.00 -0.00 0.00 0.00 35.03 33.40 1jkh n LYS 66 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1jkh n ASP 67 N 7.51 -0.19 -4.71 -5.58 2.03 -1.26 -5.01 116.55 109.33 1jkh n ASP 67 Ca 0.43 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 55.39 1jkh n ASP 67 Cb 0.07 -0.45 -0.09 0.00 -0.72 0.00 0.00 41.12 39.93 1jkh n ASP 67 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1jkh s SER 68 N -2.79 5.38 0.00 1.67 0.01 0.31 -4.92 113.70 113.36 1jkh s SER 68 Ca 0.00 0.16 0.27 0.00 1.31 0.00 0.00 55.95 57.69 1jkh s SER 68 Cb 0.00 -1.53 0.90 0.00 0.21 0.00 0.00 66.02 65.60 1jkh s SER 68 CO 0.00 0.36 1.66 0.41 0.41 0.00 0.00 173.24 176.08 1jkh n THR 69 N 1.96 0.00 -3.30 1.44 -1.04 -1.26 -4.25 114.28 107.83 1jkh n THR 69 Ca -0.18 -0.17 -0.31 0.00 -2.04 0.00 0.00 64.05 61.35 1jkh n THR 69 Cb 0.54 0.41 -0.05 0.00 -1.82 0.00 0.00 70.33 69.41 1jkh n THR 69 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1jkh s LYS 70 N -2.30 3.77 0.15 -2.82 2.20 -1.26 -5.06 119.74 114.42 1jkh s LYS 70 Ca 0.30 0.27 0.03 0.00 -0.36 0.00 0.00 55.97 56.21 1jkh s LYS 70 Cb 0.20 -2.60 -0.04 0.00 -1.51 0.00 0.00 37.83 33.89 1jkh s LYS 70 CO 0.44 0.23 0.26 -1.58 -0.36 0.00 0.00 175.35 174.34 1jkh s TRP 71 N -1.97 3.43 0.04 4.03 0.52 -1.26 -3.74 118.94 119.99 1jkh s TRP 71 Ca 0.48 0.10 0.06 0.00 0.02 0.00 0.00 56.10 56.75 1jkh s TRP 71 Cb -0.11 -1.64 -0.02 0.00 -1.15 0.00 0.00 33.47 30.55 1jkh s TRP 71 CO 0.24 0.52 -0.18 0.50 0.02 0.00 0.00 176.95 178.05 1jkh s ARG 72 N -3.20 1.23 0.19 4.98 6.06 -1.02 -4.86 118.95 122.34 1jkh s ARG 72 Ca 0.34 -0.86 0.04 0.00 -2.50 0.00 0.00 55.73 52.75 1jkh s ARG 72 Cb -0.11 -1.30 -0.03 0.00 0.06 0.00 0.00 34.95 33.57 1jkh s ARG 72 CO 0.28 0.33 0.27 -1.59 -2.50 0.00 0.00 175.30 172.09 1jkh s LYS 73 N -1.13 3.28 -0.01 5.12 -2.85 -1.26 -1.55 119.74 121.34 1jkh s LYS 73 Ca 0.05 -0.76 -0.08 0.00 -1.00 0.00 0.00 55.97 54.19 1jkh s LYS 73 Cb -0.08 -2.83 0.00 0.00 -2.06 0.00 0.00 37.83 32.86 1jkh s LYS 73 CO 0.01 0.47 0.15 -1.17 0.10 0.00 0.00 175.35 174.92 1jkh s LEU 74 N -3.54 1.48 -0.11 2.77 2.96 -1.20 -4.96 118.68 116.08 1jkh s LEU 74 Ca 0.34 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 1jkh s LEU 74 Cb -0.10 0.70 0.02 0.00 0.50 0.00 0.00 46.19 47.31 1jkh s LEU 74 CO 0.27 -0.33 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.18 1jkh s VAL 75 N -1.16 1.20 -1.24 1.68 1.01 -1.26 -2.17 120.40 118.46 1jkh s VAL 75 Ca -0.12 -0.43 -0.20 0.00 0.00 0.00 0.00 61.98 61.23 1jkh s VAL 75 Cb -0.07 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.15 1jkh s VAL 75 CO 0.02 0.39 1.87 0.47 0.00 0.00 0.00 175.10 177.84 1jkh n ASP 76 N 4.60 4.03 0.00 3.32 10.43 -1.05 -4.67 116.55 133.21 1jkh n ASP 76 Ca -0.16 -2.82 0.14 0.00 2.57 0.00 0.00 54.79 54.52 1jkh n ASP 76 Cb 0.50 -1.69 0.75 0.00 1.84 0.00 0.00 41.12 42.52 1jkh n ASP 76 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1jkh n PHE 77 N 10.20 0.00 -0.15 1.24 3.01 -1.26 -4.14 117.46 126.36 1jkh n PHE 77 Ca 0.48 0.00 0.09 0.00 1.01 0.00 0.00 57.45 59.02 1jkh n PHE 77 Cb 0.45 -0.25 0.16 0.00 -0.01 0.00 0.00 39.48 39.84 1jkh n PHE 77 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1jkh n ARG 78 N -1.25 -0.03 0.04 -1.08 1.74 -1.26 0.11 116.66 114.93 1jkh n ARG 78 Ca 0.15 0.64 -0.06 0.00 -0.77 0.00 0.00 57.85 57.80 1jkh n ARG 78 Cb 0.21 -1.05 -0.04 0.00 -1.02 0.00 0.00 32.46 30.56 1jkh n ARG 78 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1jkh h GLU 79 N 0.00 -0.19 -0.93 5.56 4.39 -2.00 -3.26 114.58 118.15 1jkh h GLU 79 Ca 0.29 0.01 0.27 0.00 0.34 0.00 0.00 59.36 60.28 1jkh h GLU 79 Cb 0.67 0.04 -0.16 0.00 -0.10 0.00 0.00 28.75 29.20 1jkh h GLU 79 CO -0.39 0.08 0.25 1.25 -1.16 0.00 0.00 179.01 179.04 1jkh h LEU 80 N -1.00 -0.03 -0.48 1.33 5.85 0.53 -1.14 115.31 120.36 1jkh h LEU 80 Ca -0.02 0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1jkh h LEU 80 Cb 0.35 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1jkh h LEU 80 CO 0.03 -0.23 0.26 0.78 -0.34 0.00 0.00 178.44 178.93 1jkh h ASN 81 N 0.15 0.61 0.29 1.25 2.35 -0.78 -2.12 115.58 117.32 1jkh h ASN 81 Ca 0.61 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 56.26 1jkh h ASN 81 Cb 1.32 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.54 1jkh h ASN 81 CO -0.73 0.54 0.00 2.29 -1.65 0.00 0.00 177.43 177.88 1jkh n LYS 82 N -4.66 0.05 -0.03 0.81 2.85 -0.44 -1.30 118.16 115.44 1jkh n LYS 82 Ca 0.02 0.28 0.07 0.00 -1.05 0.00 0.00 58.31 57.63 1jkh n LYS 82 Cb 0.09 -1.50 0.08 0.00 -0.65 0.00 0.00 35.03 33.05 1jkh n LYS 82 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1jkh n ARG 83 N -1.42 1.22 -3.50 -1.58 1.74 -0.84 -4.95 116.66 107.34 1jkh n ARG 83 Ca 0.03 -1.46 -0.38 0.00 -0.77 0.00 0.00 57.85 55.28 1jkh n ARG 83 Cb 0.10 -1.28 -0.06 0.00 -1.02 0.00 0.00 32.46 30.20 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 -1.13 5.15 1.00 0.55 2.01 -0.42 -1.66 115.64 121.15 1jkh s THR 84 Ca 0.18 0.75 -0.16 0.00 0.31 0.00 0.00 61.69 62.78 1jkh s THR 84 Cb 0.12 -3.69 0.01 0.00 0.01 0.00 0.00 72.50 68.95 1jkh s THR 84 CO 0.18 0.49 -0.02 0.00 -0.69 0.00 0.00 174.62 174.58 1jkh n GLN 85 N 2.57 -0.55 -3.32 4.92 10.64 -0.91 -4.51 117.38 126.24 1jkh n GLN 85 Ca -0.13 -0.13 -0.36 0.00 -1.83 0.00 0.00 57.00 54.55 1jkh n GLN 85 Cb 0.52 -1.62 -0.06 0.00 -0.86 0.00 0.00 30.24 28.22 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 -1.74 6.91 0.46 2.61 1.11 -1.26 -4.92 116.67 119.84 1jkh s ASP 86 Ca 0.52 1.16 0.06 0.00 0.18 0.00 0.00 52.55 54.47 1jkh s ASP 86 Cb -0.16 -2.32 -0.02 0.00 1.07 0.00 0.00 42.92 41.49 1jkh s ASP 86 CO 0.70 0.15 0.23 -0.36 1.18 0.00 0.00 175.17 177.07 1jkh s PHE 87 N -1.35 2.24 -0.27 4.23 0.40 -1.26 -5.07 117.98 116.89 1jkh s PHE 87 Ca 0.35 -0.70 -0.29 0.00 -0.60 0.00 0.00 56.93 55.69 1jkh s PHE 87 Cb -0.16 -1.92 -0.00 0.00 0.51 0.00 0.00 43.02 41.45 1jkh s PHE 87 CO 0.19 -0.01 1.30 -0.46 0.70 0.00 0.00 175.22 176.94 1jkh s TRP 88 N -2.68 2.70 0.11 0.36 -0.00 -1.26 -4.95 118.94 113.22 1jkh s TRP 88 Ca 0.35 0.89 -0.35 0.00 -0.00 0.00 0.00 56.10 56.99 1jkh s TRP 88 Cb 0.01 -3.83 -0.18 0.00 -0.00 0.00 0.00 33.47 29.48 1jkh s TRP 88 CO 0.20 -1.75 0.97 -0.85 -0.00 0.00 0.00 176.95 175.52 1jkh n GLU 89 N 7.18 0.40 0.00 5.86 -0.00 -1.26 -4.80 120.64 128.03 1jkh n GLU 89 Ca 0.15 0.14 0.00 0.00 -0.00 0.00 0.00 57.16 57.45 1jkh n GLU 89 Cb 0.46 -1.52 0.02 0.00 -0.00 0.00 0.00 31.44 30.40 1jkh n GLU 89 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1jkh n VAL 90 N 1.15 1.93 -0.75 3.84 0.24 -1.26 -4.87 118.33 118.60 1jkh n VAL 90 Ca 0.18 0.48 0.00 0.00 -2.04 0.00 0.00 64.34 62.96 1jkh n VAL 90 Cb 0.18 -1.47 0.00 0.00 -1.47 0.00 0.00 33.84 31.08 1jkh n VAL 90 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1jkh n GLN 91 N -1.49 0.00 -0.21 7.34 0.00 -1.26 -4.98 117.38 116.77 1jkh n GLN 91 Ca 0.00 0.31 0.09 0.00 -0.00 0.00 0.00 57.00 57.41 1jkh n GLN 91 Cb 0.01 -0.44 0.25 0.00 0.00 0.00 0.00 30.24 30.07 1jkh n GLN 91 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1jkh n LEU 92 N 0.00 2.66 -4.57 1.69 7.99 -1.26 -4.77 117.00 118.73 1jkh n LEU 92 Ca 0.00 -1.26 -0.43 0.00 -0.01 0.00 0.00 56.01 54.31 1jkh n LEU 92 Cb 0.00 -0.28 -0.05 0.00 -0.11 0.00 0.00 43.42 42.98 1jkh n LEU 92 CO 0.00 0.63 0.62 -0.83 -1.51 0.00 0.00 177.39 176.30 1jkh s GLY 93 N -1.19 1.60 -0.11 -0.72 0.00 -1.26 -5.03 107.32 100.60 1jkh s GLY 93 Ca 0.35 -0.76 -0.05 0.00 0.00 0.00 0.00 44.72 44.26 1jkh s GLY 93 CO 0.25 1.84 0.06 -0.26 0.00 0.00 0.00 173.10 174.99 1jkh s ILE 94 N 3.31 4.80 0.19 0.90 -0.00 -1.26 -5.07 121.20 124.07 1jkh s ILE 94 Ca 0.33 -0.06 -0.30 0.00 -0.00 0.00 0.00 60.65 60.62 1jkh s ILE 94 Cb -0.12 -3.07 -0.17 0.00 -0.00 0.00 0.00 42.46 39.10 1jkh s ILE 94 CO 0.20 0.59 0.71 -2.65 -0.00 0.00 0.00 174.94 173.79 1jkh n PRO 95 N 2.33 0.32 -4.90 0.37 -0.02 -1.26 -4.99 135.00 126.85 1jkh n PRO 95 Ca -0.19 0.11 -0.33 0.00 -2.02 0.00 0.00 63.50 61.08 1jkh n PRO 95 Cb 0.54 -1.26 -0.14 0.00 -0.02 0.00 0.00 33.50 32.62 1jkh n PRO 95 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1jkh s HIS 96 N -0.85 2.70 0.24 6.00 2.46 -1.26 -5.02 115.29 119.55 1jkh s HIS 96 Ca 0.66 -0.27 -0.02 0.00 0.47 0.00 0.00 55.06 55.90 1jkh s HIS 96 Cb -0.92 -1.66 0.51 0.00 -0.13 0.00 0.00 32.58 30.38 1jkh s HIS 96 CO 0.57 0.10 1.29 -2.30 -2.47 0.00 0.00 174.74 171.92 1jkh n PRO 97 N 2.53 -0.07 0.10 2.88 -0.02 -1.26 -0.85 135.00 138.31 1jkh n PRO 97 Ca -0.17 1.26 0.20 0.00 -2.02 0.00 0.00 63.50 62.77 1jkh n PRO 97 Cb 0.52 -1.94 0.72 0.00 -0.02 0.00 0.00 33.50 32.78 1jkh n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jkh h ALA 98 N 1.65 2.10 0.00 3.55 0.00 -1.88 -0.48 119.26 124.19 1jkh h ALA 98 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1jkh h ALA 98 Cb 0.82 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1jkh h ALA 98 CO -0.81 -0.71 -0.61 0.41 0.00 0.00 0.00 179.25 177.52 1jkh n GLY 99 N -1.48 -1.27 3.77 0.00 0.00 -0.03 -3.96 105.19 102.22 1jkh n GLY 99 Ca 0.07 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1jkh n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jkh s LEU 100 N -3.40 3.71 -0.05 0.99 1.43 -0.19 -4.64 118.68 116.53 1jkh s LEU 100 Ca 0.09 2.26 -0.03 0.00 -1.03 0.00 0.00 54.13 55.41 1jkh s LEU 100 Cb 0.16 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.76 1jkh s LEU 100 CO 0.72 -1.37 0.11 -0.54 0.23 0.00 0.00 176.35 175.51 1jkh s LYS 101 N -3.31 3.26 0.31 1.70 1.02 -1.26 0.15 119.74 121.60 1jkh s LYS 101 Ca 0.74 -0.33 -0.29 0.00 0.02 0.00 0.00 55.97 56.11 1jkh s LYS 101 Cb -0.26 -3.01 -0.11 0.00 -0.52 0.00 0.00 37.83 33.93 1jkh s LYS 101 CO 0.29 0.70 1.52 0.21 -0.92 0.00 0.00 175.35 177.15 1jkh s LYS 102 N -1.46 4.16 0.26 1.68 2.20 -1.25 -4.85 119.74 120.47 1jkh s LYS 102 Ca 0.20 2.51 0.07 0.00 -0.36 0.00 0.00 55.97 58.39 1jkh s LYS 102 Cb -0.12 -3.02 -0.05 0.00 -1.51 0.00 0.00 37.83 33.12 1jkh s LYS 102 CO 0.11 -0.54 -0.07 0.15 -0.36 0.00 0.00 175.35 174.63 1jkh s LYS 103 N -1.04 1.48 -0.10 4.03 -0.14 -0.57 -4.98 119.74 118.42 1jkh s LYS 103 Ca 0.58 -1.73 -0.02 0.00 -1.36 0.00 0.00 55.97 53.45 1jkh s LYS 103 Cb -0.46 -1.10 -0.25 0.00 -1.68 0.00 0.00 37.83 34.34 1jkh s LYS 103 CO 0.52 0.06 0.45 1.63 -0.76 0.00 0.00 175.35 177.25 1jkh n LYS 104 N -0.52 0.73 -4.06 1.68 5.02 -0.61 -4.22 118.16 116.18 1jkh n LYS 104 Ca -0.06 0.27 -0.13 0.00 -2.02 0.00 0.00 58.31 56.37 1jkh n LYS 104 Cb 0.63 -1.73 -0.12 0.00 -0.02 0.00 0.00 35.03 33.78 1jkh n LYS 104 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1jkh s SER 105 N -6.80 0.63 -0.00 4.39 0.01 -0.86 -4.97 113.70 106.09 1jkh s SER 105 Ca -0.18 -0.38 0.01 0.00 1.31 0.00 0.00 55.95 56.71 1jkh s SER 105 Cb 0.07 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.31 1jkh s SER 105 CO 0.79 -0.13 -0.01 -0.69 0.41 0.00 0.00 173.24 173.60 1jkh s VAL 106 N -0.94 0.13 0.06 3.43 1.01 -1.26 -1.79 120.40 121.04 1jkh s VAL 106 Ca -0.07 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1jkh s VAL 106 Cb -0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 1jkh s VAL 106 CO -0.00 0.04 -0.07 -0.89 0.00 0.00 0.00 175.10 174.18 1jkh s THR 107 N 0.04 0.57 -0.12 3.92 2.01 0.36 -4.85 115.64 117.56 1jkh s THR 107 Ca -0.00 -1.42 -0.00 0.00 0.31 0.00 0.00 61.69 60.57 1jkh s THR 107 Cb -0.02 -1.04 0.03 0.00 0.01 0.00 0.00 72.50 71.49 1jkh s THR 107 CO -0.00 -0.59 -0.07 0.54 -0.69 0.00 0.00 174.62 173.80 1jkh s VAL 108 N -2.32 1.04 -0.42 3.82 0.11 -1.26 -0.54 120.40 120.83 1jkh s VAL 108 Ca -0.01 -0.36 -0.14 0.00 -2.93 0.00 0.00 61.98 58.54 1jkh s VAL 108 Cb -0.04 -1.09 0.03 0.00 -1.53 0.00 0.00 36.38 33.76 1jkh s VAL 108 CO -0.02 0.32 0.31 -0.76 -3.33 0.00 0.00 175.10 171.61 1jkh s LEU 109 N 1.70 5.17 -0.77 2.54 1.02 0.24 -4.52 118.68 124.06 1jkh s LEU 109 Ca 0.04 -1.02 -0.23 0.00 0.02 0.00 0.00 54.13 52.94 1jkh s LEU 109 Cb -0.13 -2.14 0.07 0.00 0.02 0.00 0.00 46.19 44.01 1jkh s LEU 109 CO -0.08 -0.49 1.11 -0.62 0.02 0.00 0.00 176.35 176.30 1jkh s ASP 110 N 1.87 6.29 0.13 2.29 -1.08 -1.26 -0.87 116.67 124.04 1jkh s ASP 110 Ca 0.04 -1.12 0.18 0.00 -0.52 0.00 0.00 52.55 51.14 1jkh s ASP 110 Cb -0.20 -2.46 0.78 0.00 -1.46 0.00 0.00 42.92 39.58 1jkh s ASP 110 CO 0.09 -1.47 1.57 1.33 0.52 0.00 0.00 175.17 177.21 1jkh n VAL 111 N 6.05 0.97 0.00 1.11 0.24 0.14 -4.26 118.33 122.58 1jkh n VAL 111 Ca 0.07 0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.64 1jkh n VAL 111 Cb 0.47 -1.13 0.00 0.00 -1.47 0.00 0.00 33.84 31.71 1jkh n VAL 111 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jkh n GLY 112 N -0.13 0.00 2.75 7.63 0.00 -1.19 -2.72 105.19 111.53 1jkh n GLY 112 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1jkh n GLY 112 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jkh n ASP 113 N 0.00 0.00 -0.09 1.61 5.68 -1.26 -4.16 116.55 118.33 1jkh n ASP 113 Ca 0.00 -1.70 -0.13 0.00 -0.50 0.00 0.00 54.79 52.46 1jkh n ASP 113 Cb 0.00 -0.25 -0.14 0.00 -1.14 0.00 0.00 41.12 39.58 1jkh n ASP 113 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jkh n ALA 114 N 3.97 1.44 -0.26 2.12 0.00 -1.10 -4.18 120.51 122.50 1jkh n ALA 114 Ca 0.00 -1.16 0.02 0.00 0.00 0.00 0.00 53.44 52.30 1jkh n ALA 114 Cb 0.00 -0.27 0.14 0.00 0.00 0.00 0.00 19.45 19.32 1jkh n ALA 114 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1jkh h TYR 115 N 0.00 0.72 0.00 0.00 0.99 -1.88 0.11 116.97 116.91 1jkh h TYR 115 Ca -0.52 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.24 1jkh h TYR 115 Cb 2.11 -0.21 0.00 0.00 1.00 0.00 0.00 36.73 39.63 1jkh h TYR 115 CO 0.01 0.28 0.00 1.19 -0.00 0.00 0.00 178.16 179.65 1jkh n PHE 116 N -4.81 0.00 0.33 4.88 3.72 -1.25 -2.90 117.46 117.43 1jkh n PHE 116 Ca 0.12 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.63 1jkh n PHE 116 Cb 0.26 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.73 1jkh n PHE 116 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1jkh n SER 117 N -1.00 0.46 -4.74 4.37 7.64 0.36 -4.90 113.62 115.81 1jkh n SER 117 Ca 0.22 -0.15 -0.35 0.00 1.01 0.00 0.00 58.87 59.60 1jkh n SER 117 Cb 0.10 1.25 -0.08 0.00 -1.01 0.00 0.00 64.21 64.47 1jkh n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1jkh s VAL 118 N -3.32 5.41 0.28 0.44 1.01 -1.08 -0.77 120.40 122.36 1jkh s VAL 118 Ca -0.01 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 1jkh s VAL 118 Cb 0.14 -3.48 -0.11 0.00 0.00 0.00 0.00 36.38 32.93 1jkh s VAL 118 CO 0.85 0.45 1.49 -2.84 0.00 0.00 0.00 175.10 175.05 1jkh s PRO 119 N 0.27 4.20 0.39 2.72 0.02 -1.26 -1.30 135.00 140.04 1jkh s PRO 119 Ca 0.09 2.43 -0.02 0.00 0.02 0.00 0.00 61.00 63.52 1jkh s PRO 119 Cb -0.11 -3.06 -0.03 0.00 0.02 0.00 0.00 34.50 31.31 1jkh s PRO 119 CO -0.01 -0.50 0.63 -1.17 -0.33 0.00 0.00 177.00 175.62 1jkh s LEU 120 N -0.66 3.88 -1.10 -5.54 0.20 -0.63 -4.61 118.68 110.22 1jkh s LEU 120 Ca 0.60 0.62 -0.25 0.00 0.69 0.00 0.00 54.13 55.79 1jkh s LEU 120 Cb -0.44 -3.51 -0.14 0.00 -0.43 0.00 0.00 46.19 41.67 1jkh s LEU 120 CO 0.47 -0.39 2.04 -0.62 -0.29 0.00 0.00 176.35 177.56 1jkh s ASP 121 N -4.05 4.36 0.00 3.68 2.15 -1.26 -4.79 116.67 116.76 1jkh s ASP 121 Ca 0.42 -1.21 0.00 0.00 0.43 0.00 0.00 52.55 52.20 1jkh s ASP 121 Cb -0.10 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 1jkh s ASP 121 CO 0.39 -3.75 0.00 -1.84 -0.17 0.00 0.00 175.17 169.80 1jkh n GLU 122 N 8.33 0.00 -0.03 4.34 0.00 -1.26 0.37 120.64 132.38 1jkh n GLU 122 Ca 0.43 0.00 0.23 0.00 0.00 0.00 0.00 57.16 57.83 1jkh n GLU 122 Cb 0.46 0.00 0.60 0.00 0.00 0.00 0.00 31.44 32.50 1jkh n GLU 122 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 1jkh h ASP 123 N 0.00 0.00 0.00 -1.84 1.82 -1.98 -1.38 116.42 113.05 1jkh h ASP 123 Ca 0.00 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.58 1jkh h ASP 123 Cb 0.00 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 1jkh h ASP 123 CO 0.00 0.00 -1.84 0.33 -1.61 0.00 0.00 179.24 176.12 1jkh n PHE 124 N -3.44 0.00 -0.33 0.28 7.35 1.16 -4.69 117.46 117.80 1jkh n PHE 124 Ca 0.14 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.95 1jkh n PHE 124 Cb 1.03 -0.47 0.25 0.00 0.35 0.00 0.00 39.48 40.64 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 0.03 -0.87 -4.13 3.08 -1.21 -0.38 114.38 110.90 1jkh h ARG 125 Ca -0.09 -0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.14 1jkh h ARG 125 Cb 1.02 -0.01 -0.17 0.00 0.08 0.00 0.00 29.97 30.90 1jkh h ARG 125 CO 0.00 0.02 -0.22 1.57 -1.07 0.00 0.00 179.97 180.28 1jkh h LYS 126 N 0.03 0.00 0.00 0.04 -0.00 -1.84 0.30 116.57 115.10 1jkh h LYS 126 Ca 0.55 -0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.20 1jkh h LYS 126 Cb 1.08 -0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.31 1jkh h LYS 126 CO -0.89 0.00 0.08 0.66 -0.00 0.00 0.00 179.45 179.30 1jkh n TYR 127 N -5.56 0.00 0.11 0.07 4.01 -0.15 -2.28 117.16 113.36 1jkh n TYR 127 Ca 0.13 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.94 1jkh n TYR 127 Cb 0.44 -0.33 0.01 0.00 -0.31 0.00 0.00 39.34 39.15 1jkh n TYR 127 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1jkh h THR 128 N 0.00 0.28 -0.43 -0.72 1.35 -0.54 -3.45 112.91 109.40 1jkh h THR 128 Ca 0.00 -1.47 -0.30 0.00 -0.55 0.00 0.00 66.41 64.09 1jkh h THR 128 Cb 0.17 1.88 0.04 0.00 -1.73 0.00 0.00 68.15 68.51 1jkh h THR 128 CO 0.00 0.16 -0.16 0.00 -0.25 0.00 0.00 175.52 175.27 1jkh n ALA 129 N -2.23 -1.81 -3.08 6.62 0.00 -0.97 -4.56 120.51 114.48 1jkh n ALA 129 Ca -0.02 0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.53 1jkh n ALA 129 Cb 0.66 -0.70 -0.05 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.31 0.08 0.21 0.00 -0.12 -0.53 0.39 117.98 117.70 1jkh s PHE 130 Ca 0.30 -0.44 0.05 0.00 -0.05 0.00 0.00 56.93 56.79 1jkh s PHE 130 Cb -0.43 0.22 -0.05 0.00 -0.63 0.00 0.00 43.02 42.13 1jkh s PHE 130 CO 0.24 -0.85 -0.06 0.99 -0.05 0.00 0.00 175.22 175.50 1jkh s THR 131 N -3.91 1.23 -0.19 -4.49 2.01 -1.13 -1.77 115.64 107.38 1jkh s THR 131 Ca 0.12 -2.07 -0.01 0.00 0.31 0.00 0.00 61.69 60.04 1jkh s THR 131 Cb 0.01 -2.16 0.01 0.00 0.01 0.00 0.00 72.50 70.36 1jkh s THR 131 CO -0.01 -0.49 -0.13 -0.63 -0.69 0.00 0.00 174.62 172.67 1jkh s ILE 132 N -3.29 2.69 0.96 1.82 1.01 -0.76 -3.99 121.20 119.64 1jkh s ILE 132 Ca 0.24 -0.73 -0.12 0.00 0.00 0.00 0.00 60.65 60.04 1jkh s ILE 132 Cb 0.04 -2.18 0.16 0.00 0.01 0.00 0.00 42.46 40.50 1jkh s ILE 132 CO 0.06 0.49 1.10 -2.16 0.00 0.00 0.00 174.94 174.43 1jkh s PRO 133 N 1.29 0.75 -0.24 2.79 0.04 -1.26 -3.69 135.00 134.69 1jkh s PRO 133 Ca 0.04 0.60 -0.18 0.00 0.04 0.00 0.00 61.00 61.50 1jkh s PRO 133 Cb -0.14 -1.77 0.07 0.00 0.04 0.00 0.00 34.50 32.70 1jkh s PRO 133 CO -0.07 -2.53 0.61 0.45 0.04 0.00 0.00 177.00 175.49 1jkh s SER 134 N -3.49 -0.71 -0.03 6.66 0.15 -1.26 -4.85 113.70 110.18 1jkh s SER 134 Ca 0.65 1.26 -0.36 0.00 0.70 0.00 0.00 55.95 58.20 1jkh s SER 134 Cb -0.18 1.22 -0.14 0.00 -1.71 0.00 0.00 66.02 65.21 1jkh s SER 134 CO 0.57 -0.22 1.69 -0.38 1.20 0.00 0.00 173.24 176.11 1jkh n ILE 135 N 3.39 0.29 -2.11 6.45 -0.00 -1.26 -1.93 119.36 124.18 1jkh n ILE 135 Ca -0.17 -0.05 -0.02 0.00 -0.00 0.00 0.00 62.75 62.51 1jkh n ILE 135 Cb 0.57 -1.51 -0.00 0.00 -0.00 0.00 0.00 39.64 38.70 1jkh n ILE 135 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1jkh n ASN 136 N 4.92 -1.65 -3.68 4.38 4.05 -1.26 -4.35 115.26 117.68 1jkh n ASN 136 Ca 0.21 -0.01 -0.00 0.00 0.45 0.00 0.00 54.58 55.23 1jkh n ASN 136 Cb 0.25 -0.99 0.00 0.00 1.23 0.00 0.00 39.78 40.27 1jkh n ASN 136 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1jkh n ASN 137 N 1.50 -0.03 0.01 1.20 6.94 -0.81 -4.74 115.26 119.32 1jkh n ASN 137 Ca -0.02 -0.01 0.14 0.00 -0.02 0.00 0.00 54.58 54.67 1jkh n ASN 137 Cb 0.52 -0.01 0.59 0.00 -2.36 0.00 0.00 39.78 38.52 1jkh n ASN 137 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1jkh n GLU 138 N -0.94 0.03 0.00 -3.83 0.00 -1.26 -5.11 120.64 109.53 1jkh n GLU 138 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.18 1jkh n GLU 138 Cb 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 31.44 29.91 1jkh n GLU 138 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1jkh n THR 139 N -1.58 0.00 -3.15 6.31 5.66 -1.26 -5.21 114.28 115.05 1jkh n THR 139 Ca 0.07 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.64 1jkh n THR 139 Cb 0.35 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.06 1jkh n THR 139 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1jkh s ILE 142 N 1.75 4.88 -0.13 1.09 -1.09 -1.24 -5.02 121.20 121.43 1jkh s ILE 142 Ca 0.00 0.02 0.01 0.00 -2.23 0.00 0.00 60.65 58.45 1jkh s ILE 142 Cb 0.00 -4.17 -0.00 0.00 -1.58 0.00 0.00 42.46 36.71 1jkh s ILE 142 CO 0.00 -0.56 -0.17 -0.13 -1.23 0.00 0.00 174.94 172.85 1jkh s ARG 143 N 2.67 3.22 0.33 2.79 0.52 -1.26 -1.82 118.95 125.40 1jkh s ARG 143 Ca 0.20 -0.77 0.03 0.00 -0.52 0.00 0.00 55.73 54.68 1jkh s ARG 143 Cb -0.15 -2.53 -0.04 0.00 0.52 0.00 0.00 34.95 32.74 1jkh s ARG 143 CO 0.18 0.12 0.11 0.71 0.02 0.00 0.00 175.30 176.44 1jkh s TYR 144 N 0.55 1.74 -0.28 -0.53 1.51 -0.73 0.43 117.35 120.04 1jkh s TYR 144 Ca -0.11 -1.20 -0.20 0.00 -1.01 0.00 0.00 57.07 54.56 1jkh s TYR 144 Cb -0.16 -1.07 0.11 0.00 -0.11 0.00 0.00 41.96 40.73 1jkh s TYR 144 CO 0.04 -0.28 0.89 1.14 -1.11 0.00 0.00 175.55 176.23 1jkh s GLN 145 N -3.85 0.56 0.56 -0.62 1.03 -1.18 -1.45 119.66 114.71 1jkh s GLN 145 Ca 0.33 0.83 -0.19 0.00 0.04 0.00 0.00 55.36 56.36 1jkh s GLN 145 Cb 0.06 0.19 -0.05 0.00 0.03 0.00 0.00 33.01 33.23 1jkh s GLN 145 CO 0.15 -0.09 1.16 0.71 -2.54 0.00 0.00 175.29 174.68 1jkh s TYR 146 N 0.96 2.55 -0.52 9.60 2.02 -1.26 -1.57 117.35 129.13 1jkh s TYR 146 Ca -0.05 1.53 0.09 0.00 -0.37 0.00 0.00 57.07 58.28 1jkh s TYR 146 Cb -0.05 -3.37 -0.08 0.00 -0.40 0.00 0.00 41.96 38.06 1jkh s TYR 146 CO -0.11 -1.85 0.44 0.09 -1.57 0.00 0.00 175.55 172.54 1jkh n ASN 147 N -1.41 0.57 -4.11 2.29 3.02 -0.50 -4.67 115.26 110.46 1jkh n ASN 147 Ca 0.12 -0.79 -0.11 0.00 -0.03 0.00 0.00 54.58 53.78 1jkh n ASN 147 Cb 0.50 0.91 -0.09 0.00 -0.61 0.00 0.00 39.78 40.50 1jkh n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1jkh s VAL 148 N -1.79 0.03 -0.29 2.41 -7.23 -1.26 -1.61 120.40 110.66 1jkh s VAL 148 Ca 0.04 -1.76 -0.43 0.00 -1.81 0.00 0.00 61.98 58.02 1jkh s VAL 148 Cb 0.07 -2.23 -0.19 0.00 0.56 0.00 0.00 36.38 34.59 1jkh s VAL 148 CO 0.36 -0.15 1.46 0.18 -0.31 0.00 0.00 175.10 176.65 1jkh n LEU 149 N -0.25 1.09 -4.74 1.32 4.32 -0.42 -4.73 117.00 113.59 1jkh n LEU 149 Ca -0.02 1.16 -0.39 0.00 -0.02 0.00 0.00 56.01 56.74 1jkh n LEU 149 Cb 0.64 -0.95 -0.05 0.00 -1.62 0.00 0.00 43.42 41.44 1jkh n LEU 149 CO 0.29 -1.08 0.28 -2.84 -1.22 0.00 0.00 177.39 172.83 1jkh s PRO 150 N 2.11 4.34 -0.20 3.23 0.02 -1.26 -3.74 135.00 139.50 1jkh s PRO 150 Ca 0.99 0.69 -0.28 0.00 0.02 0.00 0.00 61.00 62.42 1jkh s PRO 150 Cb -1.34 -3.39 -0.05 0.00 0.02 0.00 0.00 34.50 29.74 1jkh s PRO 150 CO 0.71 0.26 2.20 1.04 -0.33 0.00 0.00 177.00 180.88 1jkh n GLN 151 N 3.17 2.04 0.00 5.54 1.13 -1.26 -1.16 117.38 126.85 1jkh n GLN 151 Ca -0.06 0.58 0.00 0.00 -1.94 0.00 0.00 57.00 55.58 1jkh n GLN 151 Cb 0.51 -3.22 0.00 0.00 0.11 0.00 0.00 30.24 27.64 1jkh n GLN 151 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jkh n GLY 152 N 5.67 0.85 3.83 1.08 0.00 -1.26 -4.76 105.19 110.59 1jkh n GLY 152 Ca 0.29 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.93 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 3.69 0.25 1.61 -0.00 -0.31 -4.72 118.94 117.46 1jkh s TRP 153 Ca 0.00 0.91 -0.13 0.00 -0.00 0.00 0.00 56.10 56.88 1jkh s TRP 153 Cb 0.00 -2.25 0.34 0.00 -0.00 0.00 0.00 33.47 31.55 1jkh s TRP 153 CO 0.00 0.62 1.56 -0.22 -0.00 0.00 0.00 176.95 178.91 1jkh h LYS 154 N 4.93 -0.01 -0.00 5.86 3.64 -1.92 -1.84 116.57 127.23 1jkh h LYS 154 Ca -0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1jkh h LYS 154 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1jkh h LYS 154 CO 0.62 -0.01 -0.27 0.41 -2.27 0.00 0.00 179.45 177.94 1jkh n GLY 155 N -1.54 -1.13 0.28 5.01 0.00 -1.26 -4.37 105.19 102.17 1jkh n GLY 155 Ca 0.12 -0.29 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 1jkh n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jkh h SER 156 N 0.32 -0.80 0.81 1.61 0.02 -1.64 0.39 113.55 114.26 1jkh h SER 156 Ca 0.00 0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1jkh h SER 156 Cb 0.47 0.40 0.01 0.00 0.14 0.00 0.00 62.40 63.41 1jkh h SER 156 CO 0.00 -0.27 -0.39 -0.65 -1.14 0.00 0.00 176.83 174.38 1jkh h PRO 157 N -0.20 -1.05 -0.37 3.45 0.11 -1.76 0.15 132.00 132.33 1jkh h PRO 157 Ca 0.17 0.07 0.08 0.00 0.11 0.00 0.00 66.00 66.43 1jkh h PRO 157 Cb 0.47 0.24 -0.08 0.00 0.11 0.00 0.00 31.00 31.74 1jkh h PRO 157 CO -0.46 -0.69 -0.17 0.00 -0.21 0.00 0.00 178.00 176.46 1jkh h ALA 158 N -1.03 0.11 -0.18 -0.75 0.00 -1.76 0.12 119.26 115.77 1jkh h ALA 158 Ca -0.11 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1jkh h ALA 158 Cb 0.85 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1jkh h ALA 158 CO 0.18 -0.55 -0.29 0.82 0.00 0.00 0.00 179.25 179.41 1jkh h ILE 159 N -0.11 1.27 0.01 0.00 2.04 -0.20 -2.51 117.51 118.00 1jkh h ILE 159 Ca 0.18 -1.29 -0.00 0.00 1.00 0.00 0.00 64.86 64.75 1jkh h ILE 159 Cb 0.39 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1jkh h ILE 159 CO -0.44 0.40 -0.01 0.15 0.00 0.00 0.00 178.15 178.25 1jkh h PHE 160 N 0.31 -0.02 -0.88 1.37 3.04 -0.12 -2.35 116.94 118.29 1jkh h PHE 160 Ca 0.04 -0.00 0.17 0.00 3.98 0.00 0.00 57.97 62.16 1jkh h PHE 160 Cb 0.68 0.01 -0.10 0.00 2.56 0.00 0.00 35.95 39.09 1jkh h PHE 160 CO 0.02 0.48 0.45 0.37 -2.02 0.00 0.00 178.31 177.61 1jkh h GLN 161 N -0.52 0.57 -0.14 1.11 5.75 -0.76 0.19 115.11 121.31 1jkh h GLN 161 Ca -0.00 -0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.36 1jkh h GLN 161 Cb 0.50 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 1jkh h GLN 161 CO 0.00 0.38 -0.38 1.03 -2.65 0.00 0.00 178.83 177.21 1jkh h SER 162 N 0.59 0.32 -0.21 -0.69 0.87 -1.44 -1.56 113.55 111.43 1jkh h SER 162 Ca 0.50 -0.13 -0.18 0.00 -1.23 0.00 0.00 61.79 60.75 1jkh h SER 162 Cb 0.78 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1jkh h SER 162 CO -0.40 0.68 -0.54 0.28 -0.53 0.00 0.00 176.83 176.31 1jkh h SER 163 N 0.26 0.89 -0.43 6.23 0.02 -0.22 -2.66 113.55 117.64 1jkh h SER 163 Ca 0.03 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.50 1jkh h SER 163 Cb 0.79 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 1jkh h SER 163 CO 0.06 1.25 0.23 -0.03 -1.14 0.00 0.00 176.83 177.20 1jkh h MET 164 N 0.61 0.61 -0.63 3.45 -1.53 -0.44 -0.94 114.93 116.07 1jkh h MET 164 Ca 0.02 -0.08 0.05 0.00 -3.44 0.00 0.00 59.70 56.25 1jkh h MET 164 Cb 1.13 -0.12 -0.05 0.00 -0.55 0.00 0.00 31.60 32.02 1jkh h MET 164 CO 0.12 0.50 0.35 1.15 0.14 0.00 0.00 176.91 179.17 1jkh h THR 165 N 0.56 0.99 0.33 -0.77 2.02 -1.22 -1.38 112.91 113.44 1jkh h THR 165 Ca 0.15 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 1jkh h THR 165 Cb 0.07 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1jkh h THR 165 CO -0.02 0.12 -0.16 0.11 0.37 0.00 0.00 175.52 175.94 1jkh h LYS 166 N 0.67 -0.43 -0.57 6.66 1.57 -1.22 -1.34 116.57 121.91 1jkh h LYS 166 Ca 0.27 0.03 0.17 0.00 -1.87 0.00 0.00 60.65 59.25 1jkh h LYS 166 Cb 0.14 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1jkh h LYS 166 CO -0.16 -0.16 0.44 0.82 -0.57 0.00 0.00 179.45 179.82 1jkh h ILE 167 N -0.66 0.61 0.08 1.86 2.04 -0.89 -2.16 117.51 118.39 1jkh h ILE 167 Ca -0.05 0.00 -0.31 0.00 1.00 0.00 0.00 64.86 65.50 1jkh h ILE 167 Cb 0.47 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1jkh h ILE 167 CO 0.08 0.00 -1.70 -0.07 0.00 0.00 0.00 178.15 176.46 1jkh h LEU 168 N 0.00 0.25 -0.50 1.44 3.38 -1.09 -3.40 115.31 115.39 1jkh h LEU 168 Ca 0.27 -0.45 0.09 0.00 0.09 0.00 0.00 57.88 57.88 1jkh h LEU 168 Cb 1.15 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.73 1jkh h LEU 168 CO -0.00 1.40 -0.16 1.21 0.09 0.00 0.00 178.44 180.98 1jkh n GLU 169 N -3.32 -0.08 0.28 1.13 2.13 -0.52 -0.75 120.64 119.51 1jkh n GLU 169 Ca -0.20 0.77 -0.16 0.00 0.66 0.00 0.00 57.16 58.23 1jkh n GLU 169 Cb 1.04 -1.15 -0.08 0.00 0.27 0.00 0.00 31.44 31.52 1jkh n GLU 169 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1jkh h PRO 170 N 0.00 -0.65 -1.00 5.31 0.11 -1.78 -2.62 132.00 131.37 1jkh h PRO 170 Ca 0.21 0.04 0.21 0.00 0.11 0.00 0.00 66.00 66.57 1jkh h PRO 170 Cb 0.33 0.15 -0.11 0.00 0.11 0.00 0.00 31.00 31.48 1jkh h PRO 170 CO -0.50 -0.39 0.61 0.35 -0.21 0.00 0.00 178.00 177.86 1jkh h PHE 171 N -0.78 1.00 -0.32 0.65 3.57 -1.20 -0.51 116.94 119.36 1jkh h PHE 171 Ca -0.07 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.34 1jkh h PHE 171 Cb 0.57 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1jkh h PHE 171 CO -0.02 0.19 -0.32 0.00 -2.23 0.00 0.00 178.31 175.93 1jkh h ARG 172 N 0.68 0.69 -0.44 1.11 3.08 -1.19 -0.48 114.38 117.85 1jkh h ARG 172 Ca 0.59 -0.32 -0.08 0.00 0.07 0.00 0.00 59.98 60.24 1jkh h ARG 172 Cb 1.02 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.04 1jkh h ARG 172 CO -0.38 0.92 -0.02 0.87 -1.07 0.00 0.00 179.97 180.29 1jkh h LYS 173 N 0.59 0.79 -0.61 0.04 1.57 -0.78 -3.12 116.57 115.04 1jkh h LYS 173 Ca 0.07 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.50 1jkh h LYS 173 Cb 0.83 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 1jkh h LYS 173 CO 0.07 0.87 0.08 1.96 -0.57 0.00 0.00 179.45 181.86 1jkh h GLN 174 N 0.63 1.03 -2.54 3.15 4.20 -0.93 -3.36 115.11 117.28 1jkh h GLN 174 Ca 0.12 -0.29 -0.61 0.00 0.06 0.00 0.00 58.65 57.94 1jkh h GLN 174 Cb 0.53 -0.11 -0.42 0.00 0.30 0.00 0.00 27.48 27.77 1jkh h GLN 174 CO 0.03 0.97 -0.61 0.09 -0.67 0.00 0.00 178.83 178.64 1jkh n ASN 175 N -4.26 3.26 0.07 1.46 3.02 -0.21 -4.92 115.26 113.68 1jkh n ASN 175 Ca 0.03 -3.31 0.09 0.00 -0.03 0.00 0.00 54.58 51.36 1jkh n ASN 175 Cb 0.29 -0.70 0.38 0.00 -0.61 0.00 0.00 39.78 39.14 1jkh n ASN 175 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1jkh n PRO 176 N 1.34 0.09 0.00 3.52 -0.04 -1.18 -1.90 135.00 136.83 1jkh n PRO 176 Ca 0.26 0.38 0.14 0.00 -0.04 0.00 0.00 63.50 64.23 1jkh n PRO 176 Cb 0.39 -1.69 0.51 0.00 -0.04 0.00 0.00 33.50 32.67 1jkh n PRO 176 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1jkh n ASP 177 N -1.86 0.38 -4.86 3.54 8.00 -1.26 -4.80 116.55 115.69 1jkh n ASP 177 Ca 0.02 -0.23 -0.37 0.00 0.71 0.00 0.00 54.79 54.92 1jkh n ASP 177 Cb 0.17 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.12 1jkh n ASP 177 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1jkh s ILE 178 N -2.74 5.47 -0.19 0.53 1.09 -0.80 -4.49 121.20 120.08 1jkh s ILE 178 Ca 0.20 0.24 -0.03 0.00 -1.10 0.00 0.00 60.65 59.97 1jkh s ILE 178 Cb 0.19 -3.43 -0.01 0.00 -1.06 0.00 0.00 42.46 38.15 1jkh s ILE 178 CO 0.55 0.59 -0.06 -0.69 -0.10 0.00 0.00 174.94 175.24 1jkh s VAL 179 N -0.85 3.45 -0.13 2.92 1.01 -0.78 -5.00 120.40 121.01 1jkh s VAL 179 Ca 0.15 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1jkh s VAL 179 Cb -0.12 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.74 1jkh s VAL 179 CO 0.04 0.46 -0.22 -0.63 0.00 0.00 0.00 175.10 174.75 1jkh s ILE 180 N 0.98 2.04 -0.20 2.22 1.01 -1.26 -1.05 121.20 124.94 1jkh s ILE 180 Ca -0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 1jkh s ILE 180 Cb -0.15 -1.79 -0.00 0.00 0.01 0.00 0.00 42.46 40.53 1jkh s ILE 180 CO 0.00 0.55 -0.10 0.00 0.00 0.00 0.00 174.94 175.39 1jkh s GLN 182 N 1.25 3.68 0.00 0.00 -0.21 -1.26 -1.04 119.66 122.08 1jkh s GLN 182 Ca 0.03 0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.48 1jkh s GLN 182 Cb -0.14 -2.67 0.00 0.00 1.00 0.00 0.00 33.01 31.19 1jkh s GLN 182 CO -0.04 0.28 0.00 0.98 -2.12 0.00 0.00 175.29 174.38 1jkh n TYR 183 N -0.56 0.00 -3.04 0.91 4.19 -0.98 -4.99 117.16 112.68 1jkh n TYR 183 Ca -0.01 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.20 1jkh n TYR 183 Cb 0.53 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.36 1jkh n TYR 183 CO 0.00 0.00 0.00 -1.33 0.91 0.00 0.00 176.86 176.44 1jkh n MET 184 N 0.00 0.00 -0.55 2.98 2.81 -1.26 -1.22 117.12 119.88 1jkh n MET 184 Ca 0.00 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.95 1jkh n MET 184 Cb 0.00 0.00 0.27 0.00 -0.71 0.00 0.00 33.22 32.78 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 2.94 3.98 -4.75 7.83 9.92 -1.26 -4.92 116.55 130.29 1jkh n ASP 185 Ca 0.00 -2.51 -0.31 0.00 -0.53 0.00 0.00 54.79 51.44 1jkh n ASP 185 Cb 0.00 -0.57 -0.07 0.00 -0.64 0.00 0.00 41.12 39.84 1jkh n ASP 185 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1jkh s ASP 186 N -0.64 5.46 -0.18 -2.24 -0.00 -0.36 0.23 116.67 118.93 1jkh s ASP 186 Ca 0.37 0.01 0.00 0.00 -0.00 0.00 0.00 52.55 52.94 1jkh s ASP 186 Cb 0.27 -1.47 0.04 0.00 -0.00 0.00 0.00 42.92 41.76 1jkh s ASP 186 CO 0.14 0.21 -0.07 -0.76 -0.00 0.00 0.00 175.17 174.69 1jkh s LEU 187 N -2.11 1.94 -0.34 1.23 1.43 -0.05 -2.33 118.68 118.45 1jkh s LEU 187 Ca 0.26 -0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 1jkh s LEU 187 Cb -0.12 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.04 1jkh s LEU 187 CO 0.18 -0.17 0.20 -0.31 0.23 0.00 0.00 176.35 176.48 1jkh s TYR 188 N 1.52 3.21 -0.20 0.29 1.51 -0.20 0.80 117.35 124.28 1jkh s TYR 188 Ca -0.00 -0.58 -0.03 0.00 -1.01 0.00 0.00 57.07 55.45 1jkh s TYR 188 Cb -0.16 -2.42 -0.01 0.00 -0.11 0.00 0.00 41.96 39.26 1jkh s TYR 188 CO -0.08 -0.49 -0.07 0.08 -1.11 0.00 0.00 175.55 173.88 1jkh s VAL 189 N 1.63 3.23 0.21 0.71 1.01 0.30 -0.44 120.40 127.05 1jkh s VAL 189 Ca 0.04 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 61.56 1jkh s VAL 189 Cb -0.18 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1jkh s VAL 189 CO 0.08 0.46 -0.18 -0.83 0.00 0.00 0.00 175.10 174.62 1jkh s GLY 190 N 1.20 1.58 0.11 4.51 0.00 -0.22 -0.49 107.32 114.01 1jkh s GLY 190 Ca 0.02 -1.68 -0.25 0.00 0.00 0.00 0.00 44.72 42.81 1jkh s GLY 190 CO -0.02 -1.75 0.77 -1.35 0.00 0.00 0.00 173.10 170.75 1jkh s SER 191 N -3.14 -0.40 -0.33 1.64 1.04 -0.74 -1.86 113.70 109.90 1jkh s SER 191 Ca 0.23 -0.13 0.09 0.00 0.48 0.00 0.00 55.95 56.62 1jkh s SER 191 Cb -0.04 0.52 0.67 0.00 0.10 0.00 0.00 66.02 67.27 1jkh s SER 191 CO 0.09 -0.87 1.74 0.47 0.98 0.00 0.00 173.24 175.65 1jkh n ASP 192 N -0.35 4.12 -4.76 7.02 8.00 -1.26 -1.57 116.55 127.75 1jkh n ASP 192 Ca -0.11 -3.38 -0.26 0.00 0.71 0.00 0.00 54.79 51.75 1jkh n ASP 192 Cb 0.62 -0.73 0.09 0.00 -0.02 0.00 0.00 41.12 41.09 1jkh n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1jkh s LEU 193 N -3.09 2.82 0.26 0.64 1.43 -1.26 -4.91 118.68 114.58 1jkh s LEU 193 Ca 0.53 0.30 -0.26 0.00 -1.03 0.00 0.00 54.13 53.67 1jkh s LEU 193 Cb 0.43 -2.81 -0.09 0.00 0.03 0.00 0.00 46.19 43.75 1jkh s LEU 193 CO 0.10 -1.82 0.89 -1.83 0.23 0.00 0.00 176.35 173.92 1jkh s GLU 194 N -5.33 4.60 0.14 1.70 4.04 -1.26 -4.67 118.70 117.91 1jkh s GLU 194 Ca 0.63 1.27 -0.05 0.00 0.04 0.00 0.00 54.97 56.86 1jkh s GLU 194 Cb -0.09 -3.00 0.21 0.00 0.02 0.00 0.00 34.13 31.28 1jkh s GLU 194 CO 0.46 0.40 0.81 1.51 -1.84 0.00 0.00 175.26 176.60 1jkh n ILE 195 N 0.96 -0.23 -0.04 1.83 3.06 -1.26 -0.28 119.36 123.40 1jkh n ILE 195 Ca -0.01 1.20 -0.16 0.00 -2.50 0.00 0.00 62.75 61.28 1jkh n ILE 195 Cb 0.49 -1.64 -0.05 0.00 0.54 0.00 0.00 39.64 38.99 1jkh n ILE 195 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1jkh h GLY 196 N 0.00 0.88 1.00 4.50 0.00 -1.99 -1.05 103.07 106.41 1jkh h GLY 196 Ca 0.23 -1.14 0.00 0.00 0.00 0.00 0.00 47.33 46.43 1jkh h GLY 196 CO -0.53 1.02 0.30 1.46 0.00 0.00 0.00 176.54 178.79 1jkh h GLN 197 N 0.58 0.63 0.32 4.80 4.20 -1.02 -1.37 115.11 123.25 1jkh h GLN 197 Ca -0.02 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1jkh h GLN 197 Cb 1.28 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.93 1jkh h GLN 197 CO 0.14 0.44 -0.15 1.25 -0.67 0.00 0.00 178.83 179.84 1jkh h HIS 198 N 0.64 -0.39 -0.94 2.96 2.76 -0.63 -2.26 115.15 117.27 1jkh h HIS 198 Ca 0.17 -0.01 0.20 0.00 -2.20 0.00 0.00 60.37 58.53 1jkh h HIS 198 Cb -0.04 0.13 -0.08 0.00 1.55 0.00 0.00 27.41 28.97 1jkh h HIS 198 CO -0.04 -0.19 0.61 -0.09 -1.30 0.00 0.00 177.93 176.93 1jkh h ARG 199 N -0.52 0.50 -0.10 5.26 2.43 -1.01 -0.46 114.38 120.49 1jkh h ARG 199 Ca -0.04 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 58.94 1jkh h ARG 199 Cb 0.39 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1jkh h ARG 199 CO 0.07 0.33 -0.60 1.15 -1.51 0.00 0.00 179.97 179.41 1jkh h THR 200 N 0.52 1.36 -0.25 0.20 2.02 -0.97 -2.72 112.91 113.08 1jkh h THR 200 Ca 0.51 -1.94 -0.12 0.00 0.77 0.00 0.00 66.41 65.62 1jkh h THR 200 Cb 1.10 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 69.45 1jkh h THR 200 CO -0.24 0.58 -0.36 0.11 0.37 0.00 0.00 175.52 175.99 1jkh h LYS 201 N 0.26 0.54 -0.20 6.66 1.79 -0.51 -2.23 116.57 122.88 1jkh h LYS 201 Ca -0.01 -0.25 0.01 0.00 -2.18 0.00 0.00 60.65 58.22 1jkh h LYS 201 Cb 1.13 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.76 1jkh h LYS 201 CO 0.10 0.82 0.09 0.82 -1.08 0.00 0.00 179.45 180.21 1jkh h ILE 202 N 0.46 0.99 -0.94 1.86 5.03 -1.29 0.22 117.51 123.85 1jkh h ILE 202 Ca 0.05 -0.07 0.05 0.00 -0.12 0.00 0.00 64.86 64.77 1jkh h ILE 202 Cb 0.84 0.77 -0.06 0.00 -3.03 0.00 0.00 36.82 35.34 1jkh h ILE 202 CO 0.07 0.04 0.60 -0.08 -0.68 0.00 0.00 178.15 178.10 1jkh h GLU 203 N 0.20 1.09 -0.13 2.37 4.57 -1.30 0.75 114.58 122.13 1jkh h GLU 203 Ca 0.08 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1jkh h GLU 203 Cb 0.02 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.36 1jkh h GLU 203 CO -0.06 0.72 0.07 1.49 -1.18 0.00 0.00 179.01 180.05 1jkh h GLU 204 N 1.12 0.18 -0.09 1.92 4.81 -0.68 -0.67 114.58 121.17 1jkh h GLU 204 Ca 0.39 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.63 1jkh h GLU 204 Cb 0.10 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1jkh h GLU 204 CO -0.15 0.18 -0.05 1.25 -0.73 0.00 0.00 179.01 179.51 1jkh h LEU 205 N 0.12 -0.17 -0.83 1.64 6.46 0.85 0.12 115.31 123.49 1jkh h LEU 205 Ca 0.05 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.89 1jkh h LEU 205 Cb 0.06 0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.03 1jkh h LEU 205 CO -0.01 -0.07 0.53 0.03 -0.62 0.00 0.00 178.44 178.30 1jkh h ARG 206 N -0.05 0.98 0.00 1.25 3.08 0.69 0.20 114.38 120.53 1jkh h ARG 206 Ca 0.06 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 1jkh h ARG 206 Cb 0.13 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1jkh h ARG 206 CO -0.12 0.65 -0.66 1.96 -1.07 0.00 0.00 179.97 180.72 1jkh h GLN 207 N 1.01 0.00 -0.20 0.04 4.20 -0.81 0.82 115.11 120.16 1jkh h GLN 207 Ca 0.34 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.00 1jkh h GLN 207 Cb 0.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1jkh h GLN 207 CO -0.13 0.66 -0.06 1.25 -0.67 0.00 0.00 178.83 179.88 1jkh h HIS 208 N 0.00 0.45 -0.55 2.96 2.76 0.23 0.12 115.15 121.12 1jkh h HIS 208 Ca -0.01 -0.10 -0.05 0.00 -2.20 0.00 0.00 60.37 58.01 1jkh h HIS 208 Cb 1.19 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 30.02 1jkh h HIS 208 CO 0.00 0.66 0.13 -0.07 -1.30 0.00 0.00 177.93 177.35 1jkh h LEU 209 N 0.11 0.78 -1.17 0.26 3.38 -0.46 -1.80 115.31 116.41 1jkh h LEU 209 Ca 0.05 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1jkh h LEU 209 Cb 0.52 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1jkh h LEU 209 CO 0.02 0.77 -0.25 -0.07 0.09 0.00 0.00 178.44 179.00 1jkh h LEU 210 N 0.81 0.00 -1.04 1.67 -0.00 -0.55 0.28 115.31 116.48 1jkh h LEU 210 Ca 0.18 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.97 1jkh h LEU 210 Cb 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.95 1jkh h LEU 210 CO -0.00 0.25 -0.30 -0.09 -0.00 0.00 0.00 178.44 178.29 1jkh h ARG 211 N 0.00 0.31 -0.50 1.13 2.43 0.13 -1.69 114.38 116.19 1jkh h ARG 211 Ca -0.00 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1jkh h ARG 211 Cb 0.73 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1jkh h ARG 211 CO 0.03 0.59 0.00 0.91 -1.51 0.00 0.00 179.97 179.99 1jkh n TRP 212 N -4.11 0.69 -0.70 2.20 7.02 -0.91 -4.91 117.44 116.72 1jkh n TRP 212 Ca -0.01 -0.33 0.00 0.00 -1.02 0.00 0.00 57.50 56.14 1jkh n TRP 212 Cb 0.41 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.28 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 1.23 0.70 3.32 6.99 0.00 -0.64 -4.19 105.19 112.60 1jkh n GLY 213 Ca 0.16 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.72 1jkh n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jkh s LEU 214 N 0.00 6.39 0.25 0.99 1.43 0.95 -4.40 118.68 124.30 1jkh s LEU 214 Ca 0.00 -2.14 -0.30 0.00 -1.03 0.00 0.00 54.13 50.67 1jkh s LEU 214 Cb 0.00 -2.21 -0.09 0.00 0.03 0.00 0.00 46.19 43.91 1jkh s LEU 214 CO 0.00 -0.75 1.24 -0.89 0.23 0.00 0.00 176.35 176.18 1jkh s THR 215 N 1.06 3.19 0.19 5.49 2.01 -1.26 -3.26 115.64 123.06 1jkh s THR 215 Ca 0.09 1.09 0.02 0.00 0.31 0.00 0.00 61.69 63.20 1jkh s THR 215 Cb -0.22 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 1jkh s THR 215 CO -0.02 0.22 0.01 0.28 -0.69 0.00 0.00 174.62 174.43 1jkh s THR 216 N -0.59 0.70 0.61 -0.82 -1.32 -1.26 -4.57 115.64 108.39 1jkh s THR 216 Ca 0.51 -1.99 -0.18 0.00 -1.21 0.00 0.00 61.69 58.82 1jkh s THR 216 Cb -0.36 -2.22 -0.03 0.00 -1.51 0.00 0.00 72.50 68.39 1jkh s THR 216 CO 0.43 -0.39 1.15 -2.84 -2.21 0.00 0.00 174.62 170.76 1jkh s PRO 217 N -3.93 2.99 0.80 7.08 0.02 -1.26 -5.04 135.00 135.67 1jkh s PRO 217 Ca 0.26 1.61 -0.12 0.00 0.02 0.00 0.00 61.00 62.78 1jkh s PRO 217 Cb 0.06 -1.96 0.07 0.00 0.02 0.00 0.00 34.50 32.70 1jkh s PRO 217 CO 0.06 -1.14 1.11 -0.51 -0.33 0.00 0.00 177.00 176.19 1jkh s ASP 218 N -1.98 4.56 0.50 2.53 1.11 -1.26 -4.73 116.67 117.39 1jkh s ASP 218 Ca 0.72 1.16 0.33 0.00 0.18 0.00 0.00 52.55 54.95 1jkh s ASP 218 Cb -0.25 -1.86 1.62 0.00 1.07 0.00 0.00 42.92 43.50 1jkh s ASP 218 CO 0.34 -1.91 2.01 0.50 1.18 0.00 0.00 175.17 177.29 1jkh h LYS 219 N -1.05 0.00 -0.01 8.23 3.11 -1.97 0.44 116.57 125.32 1jkh h LYS 219 Ca -0.47 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.37 1jkh h LYS 219 Cb 1.28 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.51 1jkh h LYS 219 CO 0.61 0.00 -0.56 0.36 -2.81 0.00 0.00 179.45 177.05 1jkh n LYS 220 N -2.78 0.89 0.00 1.90 2.85 -1.26 -3.99 118.16 115.77 1jkh n LYS 220 Ca -0.01 -0.72 0.04 0.00 -1.05 0.00 0.00 58.31 56.58 1jkh n LYS 220 Cb 0.17 -1.49 -0.01 0.00 -0.65 0.00 0.00 35.03 33.05 1jkh n LYS 220 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1jkh n HIS 221 N -0.43 0.00 -0.79 5.58 8.25 0.00 -5.00 115.22 122.83 1jkh n HIS 221 Ca 0.08 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.24 1jkh n HIS 221 Cb 0.43 0.00 0.16 0.00 1.12 0.00 0.00 29.99 31.69 1jkh n HIS 221 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1jkh s GLN 222 N -1.39 1.13 -0.14 -0.41 2.00 0.13 -4.74 119.66 116.23 1jkh s GLN 222 Ca 0.06 1.43 -0.03 0.00 -2.00 0.00 0.00 55.36 54.83 1jkh s GLN 222 Cb 0.07 -1.75 -0.02 0.00 0.80 0.00 0.00 33.01 32.11 1jkh s GLN 222 CO 0.25 -2.52 -0.06 0.15 -0.50 0.00 0.00 175.29 172.62 1jkh s LYS 223 N -4.69 3.55 0.24 1.67 1.02 -1.26 -5.03 119.74 115.25 1jkh s LYS 223 Ca 0.66 -0.56 -0.03 0.00 0.02 0.00 0.00 55.97 56.06 1jkh s LYS 223 Cb -0.22 -2.83 -0.05 0.00 -0.52 0.00 0.00 37.83 34.21 1jkh s LYS 223 CO 0.58 0.27 0.48 -1.21 -0.92 0.00 0.00 175.35 174.54 1jkh s GLU 224 N 0.28 3.59 0.83 1.68 8.01 -1.26 -4.57 118.70 127.25 1jkh s GLU 224 Ca -0.05 -0.14 -0.13 0.00 0.01 0.00 0.00 54.97 54.66 1jkh s GLU 224 Cb -0.14 -2.74 0.05 0.00 -4.31 0.00 0.00 34.13 27.00 1jkh s GLU 224 CO 0.03 0.31 0.89 -2.30 0.01 0.00 0.00 175.26 174.21 1jkh n PRO 225 N -0.75 0.05 -2.06 0.39 -0.02 -1.26 -4.64 135.00 126.70 1jkh n PRO 225 Ca -0.03 0.08 -0.32 0.00 -2.02 0.00 0.00 63.50 61.21 1jkh n PRO 225 Cb 0.54 -2.19 -0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1jkh n PRO 225 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1jkh s PRO 226 N -3.79 3.55 -0.05 0.52 0.04 -1.26 -5.07 135.00 128.94 1jkh s PRO 226 Ca 0.68 0.98 -0.04 0.00 0.04 0.00 0.00 61.00 62.65 1jkh s PRO 226 Cb -0.28 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 1jkh s PRO 226 CO 0.56 -0.61 0.17 -0.06 0.04 0.00 0.00 177.00 177.11 1jkh s PHE 227 N -2.76 3.57 -0.14 0.56 0.08 0.27 -4.71 117.98 114.84 1jkh s PHE 227 Ca 0.59 0.42 -0.21 0.00 0.12 0.00 0.00 56.93 57.85 1jkh s PHE 227 Cb -0.12 -1.87 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 1jkh s PHE 227 CO 0.41 0.68 0.63 -0.51 -0.10 0.00 0.00 175.22 176.33 1jkh s LEU 228 N -1.61 4.22 -0.22 -0.37 1.43 -1.26 0.14 118.68 121.02 1jkh s LEU 228 Ca 0.23 0.95 -0.03 0.00 -1.03 0.00 0.00 54.13 54.25 1jkh s LEU 228 Cb -0.12 -2.92 0.07 0.00 0.03 0.00 0.00 46.19 43.24 1jkh s LEU 228 CO 0.13 -0.18 0.05 0.86 0.23 0.00 0.00 176.35 177.45 1jkh s TRP 229 N 1.34 1.07 -1.18 0.29 -0.11 0.66 -4.89 118.94 116.12 1jkh s TRP 229 Ca 0.31 -0.97 -0.06 0.00 1.22 0.00 0.00 56.10 56.60 1jkh s TRP 229 Cb -0.16 -1.11 0.06 0.00 -1.50 0.00 0.00 33.47 30.76 1jkh s TRP 229 CO 0.13 -0.66 0.14 0.00 -4.62 0.00 0.00 176.95 171.94 1jkh n MET 230 N 5.04 -0.90 0.00 5.86 0.00 -1.26 -0.57 117.12 125.28 1jkh n MET 230 Ca -0.08 0.08 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1jkh n MET 230 Cb 0.46 -2.81 0.00 0.00 0.00 0.00 0.00 33.22 30.88 1jkh n MET 230 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jkh n GLY 231 N -1.72 2.56 3.85 3.17 0.00 -1.26 -5.10 105.19 106.68 1jkh n GLY 231 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 1jkh n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jkh s TYR 232 N -2.32 2.97 -0.28 1.61 1.51 0.27 -2.67 117.35 118.44 1jkh s TYR 232 Ca 0.00 -0.24 -0.07 0.00 -1.01 0.00 0.00 57.07 55.75 1jkh s TYR 232 Cb 0.00 -1.68 -0.01 0.00 -0.11 0.00 0.00 41.96 40.16 1jkh s TYR 232 CO 0.00 0.28 0.08 -1.21 -1.11 0.00 0.00 175.55 173.60 1jkh s GLU 233 N -3.95 3.31 -0.36 -0.62 2.02 0.16 -0.24 118.70 119.01 1jkh s GLU 233 Ca 0.39 -0.71 -0.16 0.00 0.02 0.00 0.00 54.97 54.50 1jkh s GLU 233 Cb -0.06 -3.38 -0.00 0.00 0.10 0.00 0.00 34.13 30.78 1jkh s GLU 233 CO 0.26 -0.36 0.39 -0.51 0.02 0.00 0.00 175.26 175.06 1jkh s LEU 234 N 1.55 4.52 0.30 1.80 1.02 0.37 -1.14 118.68 127.11 1jkh s LEU 234 Ca 0.04 -0.31 0.07 0.00 0.02 0.00 0.00 54.13 53.95 1jkh s LEU 234 Cb -0.16 -2.36 -0.03 0.00 0.02 0.00 0.00 46.19 43.65 1jkh s LEU 234 CO 0.03 -0.40 0.25 -1.00 0.02 0.00 0.00 176.35 175.26 1jkh s HIS 235 N 2.06 2.98 -0.13 0.29 3.76 0.05 -0.57 115.29 123.74 1jkh s HIS 235 Ca 0.12 -0.23 0.30 0.00 -0.15 0.00 0.00 55.06 55.11 1jkh s HIS 235 Cb -0.17 -1.63 1.11 0.00 1.11 0.00 0.00 32.58 33.00 1jkh s HIS 235 CO 0.12 0.32 1.87 -1.00 -0.85 0.00 0.00 174.74 175.20 1jkh h PRO 236 N 1.35 0.00 0.00 8.40 0.13 -1.93 -3.27 132.00 136.67 1jkh h PRO 236 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1jkh h PRO 236 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1jkh h PRO 236 CO 0.59 0.00 -1.19 -0.40 -0.23 0.00 0.00 178.00 176.77 1jkh n ASP 237 N -2.91 1.71 -3.18 1.44 3.85 -1.26 -1.52 116.55 114.69 1jkh n ASP 237 Ca 0.02 -0.26 -0.06 0.00 -0.71 0.00 0.00 54.79 53.78 1jkh n ASP 237 Cb 0.33 1.35 0.02 0.00 -1.35 0.00 0.00 41.12 41.47 1jkh n ASP 237 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 1jkh s LYS 238 N -2.56 1.74 0.11 0.11 0.00 -1.24 -4.49 119.74 113.42 1jkh s LYS 238 Ca -0.01 -1.12 0.03 0.00 0.00 0.00 0.00 55.97 54.88 1jkh s LYS 238 Cb 0.08 0.49 -0.04 0.00 0.00 0.00 0.00 37.83 38.36 1jkh s LYS 238 CO 0.48 -0.82 -0.09 1.67 0.00 0.00 0.00 175.35 176.59 1jkh s TRP 239 N -2.28 1.09 0.18 1.78 1.48 -1.06 -0.77 118.94 119.35 1jkh s TRP 239 Ca 0.19 -0.76 -0.02 0.00 -1.06 0.00 0.00 56.10 54.45 1jkh s TRP 239 Cb -0.04 -0.58 -0.04 0.00 -1.16 0.00 0.00 33.47 31.65 1jkh s TRP 239 CO 0.08 -0.01 0.13 0.95 -4.06 0.00 0.00 176.95 174.04 1jkh s THR 240 N -3.04 0.03 -0.26 0.66 -4.23 -0.29 -0.34 115.64 108.19 1jkh s THR 240 Ca 0.11 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 58.58 1jkh s THR 240 Cb 0.01 -2.32 -0.05 0.00 1.34 0.00 0.00 72.50 71.48 1jkh s THR 240 CO -0.01 -0.16 0.21 -0.69 -0.54 0.00 0.00 174.62 173.44 1jkh s VAL 241 N -4.11 5.31 0.20 2.29 1.01 -0.96 0.36 120.40 124.50 1jkh s VAL 241 Ca 0.33 0.26 -0.31 0.00 0.00 0.00 0.00 61.98 62.26 1jkh s VAL 241 Cb 0.07 -3.55 -0.16 0.00 0.00 0.00 0.00 36.38 32.74 1jkh s VAL 241 CO 0.08 0.28 1.02 0.00 0.00 0.00 0.00 175.10 176.49 1jkh n GLN 242 N 4.71 0.98 -1.60 2.72 6.02 -1.09 -4.79 117.38 124.33 1jkh n GLN 242 Ca -0.13 0.35 -0.42 0.00 -0.01 0.00 0.00 57.00 56.79 1jkh n GLN 242 Cb 0.52 -1.74 0.01 0.00 1.02 0.00 0.00 30.24 30.05 1jkh n GLN 242 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1jkh n PRO 243 N 1.35 1.31 -3.71 -1.09 -0.04 -1.26 -4.94 135.00 126.63 1jkh n PRO 243 Ca 0.14 0.47 -0.37 0.00 -0.04 0.00 0.00 63.50 63.70 1jkh n PRO 243 Cb 0.26 -2.00 -0.10 0.00 -0.04 0.00 0.00 33.50 31.61 1jkh n PRO 243 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1jkh s ILE 244 N -1.27 3.61 -0.19 0.52 1.01 -1.26 -5.08 121.20 118.54 1jkh s ILE 244 Ca 0.63 -2.21 -0.23 0.00 0.00 0.00 0.00 60.65 58.84 1jkh s ILE 244 Cb -0.57 -3.42 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 1jkh s ILE 244 CO 0.57 -0.76 0.71 0.68 0.00 0.00 0.00 174.94 176.14 1jkh s VAL 245 N 0.90 4.96 -0.23 2.92 -7.23 -1.26 -4.88 120.40 115.58 1jkh s VAL 245 Ca 0.10 1.36 -0.10 0.00 -1.81 0.00 0.00 61.98 61.53 1jkh s VAL 245 Cb -0.23 -4.02 -0.05 0.00 0.56 0.00 0.00 36.38 32.65 1jkh s VAL 245 CO -0.03 0.07 0.13 -0.76 -0.31 0.00 0.00 175.10 174.20 1jkh s LEU 246 N 2.03 3.99 0.50 1.32 1.43 -1.26 -5.07 118.68 121.61 1jkh s LEU 246 Ca 0.32 0.08 -0.20 0.00 -1.03 0.00 0.00 54.13 53.30 1jkh s LEU 246 Cb -0.16 -2.06 -0.07 0.00 0.03 0.00 0.00 46.19 43.93 1jkh s LEU 246 CO 0.11 0.08 1.09 -2.16 0.23 0.00 0.00 176.35 175.71 1jkh s PRO 247 N 0.94 3.63 -0.30 1.29 0.04 -1.26 -5.03 135.00 134.31 1jkh s PRO 247 Ca 0.06 1.53 -0.02 0.00 0.04 0.00 0.00 61.00 62.61 1jkh s PRO 247 Cb -0.13 -2.12 0.05 0.00 0.04 0.00 0.00 34.50 32.33 1jkh s PRO 247 CO 0.03 -0.60 -0.00 -2.00 0.04 0.00 0.00 177.00 174.47 1jkh s GLU 248 N -3.14 2.43 0.40 4.56 2.56 -1.26 -5.10 118.70 119.15 1jkh s GLU 248 Ca 0.69 -1.26 0.05 0.00 0.00 0.00 0.00 54.97 54.44 1jkh s GLU 248 Cb -0.21 -3.18 -0.06 0.00 2.00 0.00 0.00 34.13 32.68 1jkh s GLU 248 CO 0.25 -0.62 0.03 0.15 -0.56 0.00 0.00 175.26 174.52 1jkh s LYS 249 N 1.25 1.91 -0.01 4.30 3.01 -1.26 -5.03 119.74 123.91 1jkh s LYS 249 Ca -0.05 -2.11 0.16 0.00 -1.01 0.00 0.00 55.97 52.96 1jkh s LYS 249 Cb -0.20 -1.30 -0.23 0.00 -1.01 0.00 0.00 37.83 35.10 1jkh s LYS 249 CO -0.01 -0.19 0.48 -0.25 0.51 0.00 0.00 175.35 175.89 1jkh n ASP 250 N -0.97 1.05 -4.09 2.83 10.43 -1.26 -4.85 116.55 119.68 1jkh n ASP 250 Ca -0.07 -0.32 -0.33 0.00 2.57 0.00 0.00 54.79 56.64 1jkh n ASP 250 Cb 0.67 1.48 -0.15 0.00 1.84 0.00 0.00 41.12 44.96 1jkh n ASP 250 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 1jkh s SER 251 N -3.39 4.37 -0.65 -2.24 0.15 -1.26 -5.05 113.70 105.62 1jkh s SER 251 Ca -0.02 -1.29 0.04 0.00 0.70 0.00 0.00 55.95 55.38 1jkh s SER 251 Cb 0.11 -1.57 0.16 0.00 -1.71 0.00 0.00 66.02 63.01 1jkh s SER 251 CO 0.68 -0.18 0.44 0.26 1.20 0.00 0.00 173.24 175.64 1jkh s TRP 252 N 1.15 3.46 1.26 3.44 0.52 -1.26 -5.05 118.94 122.46 1jkh s TRP 252 Ca -0.07 -3.23 -0.17 0.00 0.02 0.00 0.00 56.10 52.65 1jkh s TRP 252 Cb -0.19 -2.82 0.31 0.00 -1.15 0.00 0.00 33.47 29.63 1jkh s TRP 252 CO -0.05 -0.64 1.00 0.95 0.02 0.00 0.00 176.95 178.22 1jkh s THR 253 N -0.99 1.69 0.14 2.01 -4.23 -1.26 -2.39 115.64 110.61 1jkh s THR 253 Ca 0.22 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.56 1jkh s THR 253 Cb -0.13 -2.11 -0.01 0.00 1.34 0.00 0.00 72.50 71.59 1jkh s THR 253 CO -0.10 0.00 1.80 0.58 -0.54 0.00 0.00 174.62 176.36 1jkh h VAL 254 N -2.90 1.07 -0.46 2.29 2.07 0.22 -2.64 116.25 115.91 1jkh h VAL 254 Ca -0.55 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 66.91 1jkh h VAL 254 Cb 1.34 0.60 -0.10 0.00 -1.52 0.00 0.00 31.29 31.61 1jkh h VAL 254 CO 0.42 0.08 -0.29 0.78 0.02 0.00 0.00 177.57 178.59 1jkh h ASN 255 N 0.44 -0.97 -0.53 0.57 -0.26 -1.78 -0.79 115.58 112.25 1jkh h ASN 255 Ca 0.12 0.19 0.09 0.00 -0.56 0.00 0.00 56.30 56.14 1jkh h ASN 255 Cb -0.04 0.48 -0.07 0.00 -1.06 0.00 0.00 38.32 37.63 1jkh h ASN 255 CO -0.03 -0.29 0.14 0.44 -1.06 0.00 0.00 177.43 176.63 1jkh h ASP 256 N -0.19 0.08 -1.00 5.81 3.32 -1.81 -0.92 116.42 121.71 1jkh h ASP 256 Ca 0.20 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.35 1jkh h ASP 256 Cb 0.52 0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.11 1jkh h ASP 256 CO -0.57 0.07 0.66 0.40 -1.72 0.00 0.00 179.24 178.08 1jkh h ILE 257 N 0.30 1.26 0.44 0.35 2.04 -0.87 -1.93 117.51 119.10 1jkh h ILE 257 Ca 0.27 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1jkh h ILE 257 Cb 0.35 -0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.22 1jkh h ILE 257 CO -0.32 0.25 -0.21 1.56 0.00 0.00 0.00 178.15 179.43 1jkh h GLN 258 N 1.36 -0.57 -1.01 2.37 4.20 -0.30 -2.18 115.11 118.98 1jkh h GLN 258 Ca 0.37 0.04 0.25 0.00 0.06 0.00 0.00 58.65 59.37 1jkh h GLN 258 Cb -0.15 0.13 -0.13 0.00 0.30 0.00 0.00 27.48 27.63 1jkh h GLN 258 CO -0.08 -0.29 0.60 0.87 -0.67 0.00 0.00 178.83 179.26 1jkh h LYS 259 N -1.04 0.54 0.88 1.46 1.79 -1.17 0.99 116.57 120.02 1jkh h LYS 259 Ca -0.06 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.33 1jkh h LYS 259 Cb 0.55 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 31.09 1jkh h LYS 259 CO 0.10 0.36 -0.44 1.25 -1.08 0.00 0.00 179.45 179.64 1jkh h LEU 260 N 0.56 -1.05 -0.84 2.94 5.85 -1.36 0.20 115.31 121.60 1jkh h LEU 260 Ca 0.65 0.04 0.15 0.00 0.84 0.00 0.00 57.88 59.57 1jkh h LEU 260 Cb 1.27 0.28 -0.10 0.00 0.37 0.00 0.00 40.66 42.48 1jkh h LEU 260 CO -0.48 -0.73 0.42 0.58 -0.34 0.00 0.00 178.44 177.89 1jkh h VAL 261 N -1.20 0.69 -0.72 1.05 2.07 0.00 0.27 116.25 118.42 1jkh h VAL 261 Ca -0.12 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.28 1jkh h VAL 261 Cb 0.93 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 1jkh h VAL 261 CO 0.19 0.11 0.39 1.23 0.02 0.00 0.00 177.57 179.50 1jkh h GLY 262 N 0.58 1.07 1.31 2.17 0.00 0.17 0.16 103.07 108.52 1jkh h GLY 262 Ca 0.47 -0.27 -0.22 0.00 0.00 0.00 0.00 47.33 47.31 1jkh h GLY 262 CO -0.38 0.13 -0.82 0.50 0.00 0.00 0.00 176.54 175.97 1jkh h LYS 263 N 0.70 0.66 -0.35 4.80 1.57 0.15 -2.90 116.57 121.19 1jkh h LYS 263 Ca 0.33 -0.58 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 1jkh h LYS 263 Cb 0.26 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1jkh h LYS 263 CO -0.21 1.19 0.16 -0.07 -0.57 0.00 0.00 179.45 179.94 1jkh h LEU 264 N 0.43 0.44 -0.06 2.94 -0.00 0.02 -0.69 115.31 118.39 1jkh h LEU 264 Ca -0.06 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.77 1jkh h LEU 264 Cb 1.45 -0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 41.99 1jkh h LEU 264 CO 0.16 0.39 0.00 0.78 -0.00 0.00 0.00 178.44 179.77 1jkh h ASN 265 N 0.49 0.10 -0.79 -0.43 2.35 -0.92 -0.33 115.58 116.05 1jkh h ASN 265 Ca 0.13 -0.31 0.05 0.00 -0.55 0.00 0.00 56.30 55.62 1jkh h ASN 265 Cb 0.08 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.37 1jkh h ASN 265 CO -0.02 0.39 0.52 -0.25 -1.65 0.00 0.00 177.43 176.42 1jkh h TRP 266 N -0.18 0.90 0.00 1.19 7.01 -1.27 -1.74 115.95 121.85 1jkh h TRP 266 Ca 0.02 0.02 -0.10 0.00 2.11 0.00 0.00 58.89 60.94 1jkh h TRP 266 Cb 0.33 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 1jkh h TRP 266 CO 0.03 0.50 -0.45 0.00 -2.79 0.00 0.00 178.44 175.72 1jkh h ALA 267 N 1.56 1.10 0.00 2.65 0.00 -0.73 -3.11 119.26 120.73 1jkh h ALA 267 Ca 0.33 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1jkh h ALA 267 Cb 0.15 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1jkh h ALA 267 CO -0.11 0.57 -0.01 0.77 0.00 0.00 0.00 179.25 180.47 1jkh h SER 268 N 0.00 0.00 0.05 0.00 0.02 -0.11 0.38 113.55 113.88 1jkh h SER 268 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1jkh h SER 268 Cb 0.89 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.43 1jkh h SER 268 CO 0.06 0.01 -0.02 1.56 -1.14 0.00 0.00 176.83 177.30 1jkh h GLN 269 N 0.00 -0.06 0.07 3.45 1.08 -1.62 -3.38 115.11 114.65 1jkh h GLN 269 Ca -0.00 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.11 1jkh h GLN 269 Cb 0.08 0.01 0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1jkh h GLN 269 CO 0.00 0.41 -0.43 0.82 -0.95 0.00 0.00 178.83 178.69 1jkh h ILE 270 N -0.56 1.64 -2.80 2.54 2.04 -1.59 -3.10 117.51 115.68 1jkh h ILE 270 Ca -0.01 -2.44 -0.64 0.00 1.00 0.00 0.00 64.86 62.77 1jkh h ILE 270 Cb 0.50 3.29 -0.06 0.00 -0.74 0.00 0.00 36.82 39.81 1jkh h ILE 270 CO 0.01 0.66 -0.38 -0.31 0.00 0.00 0.00 178.15 178.13 1jkh s TYR 271 N -2.33 3.63 0.11 1.37 2.02 0.13 -5.01 117.35 117.28 1jkh s TYR 271 Ca -0.16 0.66 -0.21 0.00 -0.37 0.00 0.00 57.07 56.99 1jkh s TYR 271 Cb -0.01 -2.04 -0.07 0.00 -0.40 0.00 0.00 41.96 39.43 1jkh s TYR 271 CO 0.76 0.68 0.64 -2.14 -1.57 0.00 0.00 175.55 173.92 1jkh s PRO 272 N -1.22 4.30 -0.25 -1.71 0.02 -1.26 -4.32 135.00 130.57 1jkh s PRO 272 Ca 0.20 0.86 0.00 0.00 0.02 0.00 0.00 61.00 62.08 1jkh s PRO 272 Cb -0.14 -3.21 0.00 0.00 0.02 0.00 0.00 34.50 31.18 1jkh s PRO 272 CO 0.09 0.60 0.00 0.41 -0.33 0.00 0.00 177.00 177.77 1jkh n GLY 273 N 1.57 0.55 3.79 0.52 0.00 -1.26 -5.03 105.19 105.34 1jkh n GLY 273 Ca -0.08 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 1jkh n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jkh s ILE 274 N -2.09 3.90 0.06 -0.61 -1.09 -1.26 -4.97 121.20 115.14 1jkh s ILE 274 Ca 0.00 1.36 0.03 0.00 -2.23 0.00 0.00 60.65 59.81 1jkh s ILE 274 Cb 0.00 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.20 1jkh s ILE 274 CO 0.00 -0.08 -0.10 -0.54 -1.23 0.00 0.00 174.94 172.99 1jkh s LYS 275 N -2.72 0.64 0.00 2.79 3.01 -1.26 -5.02 119.74 117.19 1jkh s LYS 275 Ca 0.60 -0.85 0.00 0.00 -1.01 0.00 0.00 55.97 54.70 1jkh s LYS 275 Cb -0.18 -0.46 0.00 0.00 -1.01 0.00 0.00 37.83 36.17 1jkh s LYS 275 CO 0.23 0.09 0.01 1.33 0.51 0.00 0.00 175.35 177.52 1jkh n VAL 276 N 1.32 0.00 -0.30 3.17 0.24 -1.26 -4.90 118.33 116.60 1jkh n VAL 276 Ca -0.22 -0.01 0.13 0.00 -2.04 0.00 0.00 64.34 62.20 1jkh n VAL 276 Cb 0.55 1.72 0.29 0.00 -1.47 0.00 0.00 33.84 34.92 1jkh n VAL 276 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1jkh h ARG 277 N 0.00 0.20 0.00 7.34 2.43 -2.01 -1.78 114.38 120.56 1jkh h ARG 277 Ca 0.00 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 1jkh h ARG 277 Cb 0.36 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1jkh h ARG 277 CO 0.00 0.13 -0.79 1.96 -1.51 0.00 0.00 179.97 179.77 1jkh h GLN 278 N 0.21 0.00 -1.10 0.20 1.08 -1.91 -2.17 115.11 111.42 1jkh h GLN 278 Ca 0.55 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.75 1jkh h GLN 278 Cb 1.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.53 1jkh h GLN 278 CO -0.65 0.16 0.00 1.28 -0.95 0.00 0.00 178.83 178.66 1jkh n LEU 279 N -2.92 1.88 0.00 1.46 7.99 -0.67 -3.28 117.00 121.46 1jkh n LEU 279 Ca -0.01 -0.94 0.00 0.00 -0.01 0.00 0.00 56.01 55.05 1jkh n LEU 279 Cb 0.65 -0.39 0.00 0.00 -0.11 0.00 0.00 43.42 43.57 1jkh n LEU 279 CO 0.39 0.33 0.00 1.17 -1.51 0.00 0.00 177.39 177.78 1jkh n LYS 281 N 0.47 0.00 0.00 3.23 4.81 -0.82 -4.12 118.16 121.73 1jkh n LYS 281 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.47 1jkh n LYS 281 Cb 0.33 0.00 0.15 0.00 0.02 0.00 0.00 35.03 35.54 1jkh n LYS 281 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1jkh n LEU 282 N 0.00 0.00 -0.21 3.14 4.32 -1.21 -2.29 117.00 120.75 1jkh n LEU 282 Ca 0.00 0.42 0.11 0.00 -0.02 0.00 0.00 56.01 56.52 1jkh n LEU 282 Cb 0.00 -0.42 0.03 0.00 -1.62 0.00 0.00 43.42 41.40 1jkh n LEU 282 CO 0.00 -0.33 0.22 0.18 -1.22 0.00 0.00 177.39 176.25 1jkh n LEU 283 N -1.42 1.32 -4.65 2.23 7.99 -1.26 -4.90 117.00 116.30 1jkh n LEU 283 Ca 0.02 -0.50 -0.50 0.00 -0.01 0.00 0.00 56.01 55.02 1jkh n LEU 283 Cb 0.07 -0.05 -0.05 0.00 -0.11 0.00 0.00 43.42 43.28 1jkh n LEU 283 CO 0.06 0.27 1.17 0.54 -1.51 0.00 0.00 177.39 177.92 1jkh n ARG 284 N -0.86 1.71 -1.33 3.23 1.74 -0.97 -2.11 116.66 118.08 1jkh n ARG 284 Ca 0.07 0.62 -0.11 0.00 -0.77 0.00 0.00 57.85 57.66 1jkh n ARG 284 Cb 0.38 -2.35 -0.05 0.00 -1.02 0.00 0.00 32.46 29.42 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 3.40 1.08 3.71 -0.13 0.00 -1.26 -4.95 105.19 107.04 1jkh n GLY 285 Ca 0.20 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.23 2.92 0.38 2.61 -2.24 -0.89 -4.95 114.28 109.88 1jkh n THR 286 Ca -0.11 -0.50 0.10 0.00 -2.27 0.00 0.00 64.05 61.27 1jkh n THR 286 Cb 0.59 -1.61 -0.14 0.00 -2.10 0.00 0.00 70.33 67.07 1jkh n THR 286 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1jkh n LYS 287 N -0.27 0.51 -3.48 -0.78 2.85 -1.26 -5.03 118.16 110.69 1jkh n LYS 287 Ca 0.08 -0.11 -0.13 0.00 -1.05 0.00 0.00 58.31 57.09 1jkh n LYS 287 Cb 0.41 -1.48 -0.04 0.00 -0.65 0.00 0.00 35.03 33.28 1jkh n LYS 287 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1jkh s ALA 288 N -3.23 -1.73 0.21 0.58 0.00 -1.26 -5.01 121.76 111.33 1jkh s ALA 288 Ca -0.01 0.96 -0.06 0.00 0.00 0.00 0.00 51.96 52.84 1jkh s ALA 288 Cb 0.14 0.36 0.17 0.00 0.00 0.00 0.00 23.12 23.79 1jkh s ALA 288 CO 0.85 -0.58 1.68 -0.07 0.00 0.00 0.00 175.76 177.64 1jkh h LEU 289 N 2.37 0.94 -0.09 0.00 -0.00 -1.97 -2.12 115.31 114.44 1jkh h LEU 289 Ca -0.28 -0.26 0.00 0.00 -0.00 0.00 0.00 57.88 57.34 1jkh h LEU 289 Cb 1.23 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 41.64 1jkh h LEU 289 CO 0.36 1.01 0.00 0.35 -0.00 0.00 0.00 178.44 180.16 1jkh n THR 290 N -4.18 0.57 -1.72 0.22 -2.24 -1.26 -1.67 114.28 104.00 1jkh n THR 290 Ca 0.03 0.10 -0.39 0.00 -2.27 0.00 0.00 64.05 61.51 1jkh n THR 290 Cb 0.34 -0.79 0.03 0.00 -2.10 0.00 0.00 70.33 67.82 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 -1.68 1.72 -4.20 -0.78 2.13 -0.80 -4.68 120.64 112.35 1jkh n GLU 291 Ca 0.05 0.62 -0.34 0.00 0.66 0.00 0.00 57.16 58.15 1jkh n GLU 291 Cb 0.27 -2.48 -0.12 0.00 0.27 0.00 0.00 31.44 29.38 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 -1.28 4.12 -0.11 6.31 1.01 -1.26 -0.37 120.40 128.82 1jkh s VAL 292 Ca 0.68 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.43 1jkh s VAL 292 Cb -0.45 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1jkh s VAL 292 CO 0.52 0.46 -0.23 -0.63 0.00 0.00 0.00 175.10 175.23 1jkh s ILE 293 N 0.58 2.16 0.08 2.22 1.09 -1.01 -4.98 121.20 121.34 1jkh s ILE 293 Ca -0.01 -0.98 -0.30 0.00 -1.10 0.00 0.00 60.65 58.26 1jkh s ILE 293 Cb -0.14 -1.84 -0.06 0.00 -1.06 0.00 0.00 42.46 39.37 1jkh s ILE 293 CO 0.02 0.55 1.14 -2.16 -0.10 0.00 0.00 174.94 174.39 1jkh s PRO 294 N 0.42 4.49 0.11 2.79 0.04 -1.26 -4.49 135.00 137.10 1jkh s PRO 294 Ca -0.16 1.70 -0.31 0.00 0.04 0.00 0.00 61.00 62.27 1jkh s PRO 294 Cb -0.17 -3.35 -0.07 0.00 0.04 0.00 0.00 34.50 30.95 1jkh s PRO 294 CO 0.07 -0.14 1.26 -0.51 0.04 0.00 0.00 177.00 177.72 1jkh s LEU 295 N 0.67 4.39 0.00 -3.56 1.43 -1.26 -5.01 118.68 115.34 1jkh s LEU 295 Ca 0.55 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 55.83 1jkh s LEU 295 Cb -0.28 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.35 1jkh s LEU 295 CO 0.31 -0.50 0.00 0.35 0.23 0.00 0.00 176.35 176.73 1jkh n THR 296 N 3.53 0.00 -0.05 5.49 -2.24 -1.26 -4.66 114.28 115.10 1jkh n THR 296 Ca 0.08 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.72 1jkh n THR 296 Cb 0.45 -0.69 -0.12 0.00 -2.10 0.00 0.00 70.33 67.87 1jkh n THR 296 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1jkh h GLU 297 N 0.00 0.04 0.00 -0.78 4.81 -1.98 -1.59 114.58 115.08 1jkh h GLU 297 Ca 0.00 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1jkh h GLU 297 Cb 0.00 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1jkh h GLU 297 CO 0.00 0.91 -0.18 0.93 -0.73 0.00 0.00 179.01 179.94 1jkh h GLU 298 N -0.79 0.00 0.01 1.92 3.07 -1.98 -1.52 114.58 115.29 1jkh h GLU 298 Ca -0.01 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1jkh h GLU 298 Cb 0.94 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 1jkh h GLU 298 CO 0.02 0.18 -0.01 0.00 -1.40 0.00 0.00 179.01 177.80 1jkh h ALA 299 N 1.82 -0.02 -0.05 3.43 0.00 -1.84 -1.82 119.26 120.79 1jkh h ALA 299 Ca -0.00 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.58 1jkh h ALA 299 Cb 0.54 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1jkh h ALA 299 CO 0.02 -0.16 0.07 1.49 0.00 0.00 0.00 179.25 180.67 1jkh h GLU 300 N -0.72 0.00 0.00 0.00 4.57 -0.98 -2.73 114.58 114.72 1jkh h GLU 300 Ca -0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1jkh h GLU 300 Cb 0.69 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1jkh h GLU 300 CO 0.00 0.00 -0.06 1.25 -1.18 0.00 0.00 179.01 179.03 1jkh h LEU 301 N 0.00 0.00 -1.25 1.64 5.85 -1.18 -3.13 115.31 117.24 1jkh h LEU 301 Ca 0.02 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.68 1jkh h LEU 301 Cb 0.16 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 1jkh h LEU 301 CO -0.00 0.59 0.53 1.05 -0.34 0.00 0.00 178.44 180.27 1jkh h GLU 302 N -1.00 0.91 -0.77 1.25 4.11 -1.30 0.17 114.58 117.96 1jkh h GLU 302 Ca -0.00 -0.05 0.09 0.00 0.07 0.00 0.00 59.36 59.46 1jkh h GLU 302 Cb 0.16 -0.21 -0.07 0.00 0.50 0.00 0.00 28.75 29.14 1jkh h GLU 302 CO -0.00 0.60 0.42 1.25 0.07 0.00 0.00 179.01 181.35 1jkh h LEU 303 N 0.94 0.58 -0.44 3.06 5.85 -1.64 0.87 115.31 124.52 1jkh h LEU 303 Ca 0.34 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.99 1jkh h LEU 303 Cb 0.14 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1jkh h LEU 303 CO -0.11 0.33 -0.17 0.00 -0.34 0.00 0.00 178.44 178.15 1jkh h ALA 304 N 1.44 0.62 0.00 1.25 0.00 -0.86 -1.69 119.26 120.02 1jkh h ALA 304 Ca 0.37 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1jkh h ALA 304 Cb 0.35 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1jkh h ALA 304 CO -0.25 0.56 -0.04 0.93 0.00 0.00 0.00 179.25 180.45 1jkh h GLU 305 N 0.73 0.00 0.07 0.00 5.08 0.80 -2.84 114.58 118.43 1jkh h GLU 305 Ca 0.10 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.22 1jkh h GLU 305 Cb 0.73 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1jkh h GLU 305 CO 0.06 0.04 -1.14 -0.91 -1.00 0.00 0.00 179.01 176.06 1jkh h ASN 306 N 0.00 0.24 -0.72 1.42 2.35 1.00 -3.09 115.58 116.78 1jkh h ASN 306 Ca -0.00 -0.26 -0.06 0.00 -0.55 0.00 0.00 56.30 55.43 1jkh h ASN 306 Cb 0.71 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.97 1jkh h ASN 306 CO 0.01 1.20 0.21 0.03 -1.65 0.00 0.00 177.43 177.22 1jkh h ARG 307 N 0.04 1.14 -0.42 0.81 3.08 -1.07 -0.80 114.38 117.16 1jkh h ARG 307 Ca -0.08 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.70 1jkh h ARG 307 Cb 1.89 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.76 1jkh h ARG 307 CO 0.17 0.98 0.22 0.93 -1.07 0.00 0.00 179.97 181.21 1jkh h GLU 308 N 1.09 0.59 -0.51 0.04 4.39 -1.59 -2.55 114.58 116.04 1jkh h GLU 308 Ca 0.23 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 1jkh h GLU 308 Cb 0.33 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1jkh h GLU 308 CO -0.00 0.48 0.25 0.82 -1.16 0.00 0.00 179.01 179.40 1jkh h ILE 309 N 0.54 1.19 0.00 3.13 2.04 -1.40 -2.48 117.51 120.53 1jkh h ILE 309 Ca 0.15 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1jkh h ILE 309 Cb 0.07 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1jkh h ILE 309 CO -0.02 0.21 0.00 0.18 0.00 0.00 0.00 178.15 178.52 1jkh n LEU 310 N -4.61 0.00 0.09 1.44 4.77 -0.33 -1.68 117.00 116.68 1jkh n LEU 310 Ca 0.02 0.42 -0.16 0.00 -0.03 0.00 0.00 56.01 56.27 1jkh n LEU 310 Cb 0.11 -0.42 -0.14 0.00 -2.33 0.00 0.00 43.42 40.64 1jkh n LEU 310 CO 0.37 -0.26 -0.11 0.11 -1.33 0.00 0.00 177.39 176.17 1jkh h LYS 311 N 0.00 0.26 -6.25 3.23 1.57 -1.04 -3.40 116.57 110.93 1jkh h LYS 311 Ca 0.00 -0.44 -0.69 0.00 -1.87 0.00 0.00 60.65 57.65 1jkh h LYS 311 Cb 0.16 0.16 0.05 0.00 0.08 0.00 0.00 32.23 32.68 1jkh h LYS 311 CO 0.00 1.18 0.46 -1.91 -0.57 0.00 0.00 179.45 178.61 1jkh n GLU 312 N -3.50 1.08 -2.96 3.15 2.13 -0.68 -4.90 120.64 114.96 1jkh n GLU 312 Ca -0.10 0.39 -0.40 0.00 0.66 0.00 0.00 57.16 57.71 1jkh n GLU 312 Cb 1.03 -2.03 -0.04 0.00 0.27 0.00 0.00 31.44 30.67 1jkh n GLU 312 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1jkh s PRO 313 N 0.63 4.44 -0.21 5.31 0.04 -1.26 -5.03 135.00 138.91 1jkh s PRO 313 Ca 0.86 1.00 -0.03 0.00 0.04 0.00 0.00 61.00 62.87 1jkh s PRO 313 Cb -0.98 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.09 1jkh s PRO 313 CO 0.48 -0.01 -0.08 0.08 0.04 0.00 0.00 177.00 177.52 1jkh s VAL 314 N 1.02 3.05 0.38 -0.36 1.01 -1.26 -5.06 120.40 119.18 1jkh s VAL 314 Ca 0.40 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.83 1jkh s VAL 314 Cb -0.18 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1jkh s VAL 314 CO 0.19 0.43 0.25 -1.38 0.00 0.00 0.00 175.10 174.59 1jkh s HIS 315 N 1.43 2.72 0.27 5.22 -3.43 -1.26 -2.26 115.29 117.98 1jkh s HIS 315 Ca 0.05 -0.44 -0.11 0.00 -0.80 0.00 0.00 55.06 53.76 1jkh s HIS 315 Cb -0.14 -1.89 -0.00 0.00 -1.43 0.00 0.00 32.58 29.12 1jkh s HIS 315 CO -0.05 0.15 0.48 0.20 -2.00 0.00 0.00 174.74 173.52 1jkh s GLY 316 N -3.97 0.69 0.22 -1.38 0.00 0.54 -4.84 107.32 98.59 1jkh s GLY 316 Ca 0.42 -0.99 0.11 0.00 0.00 0.00 0.00 44.72 44.26 1jkh s GLY 316 CO 0.25 -0.69 -0.21 0.14 0.00 0.00 0.00 173.10 172.59 1jkh s VAL 317 N -3.79 2.25 0.75 1.40 1.01 -0.76 -2.55 120.40 118.71 1jkh s VAL 317 Ca 0.24 -2.18 -0.04 0.00 0.00 0.00 0.00 61.98 60.00 1jkh s VAL 317 Cb -0.01 -2.14 0.16 0.00 0.00 0.00 0.00 36.38 34.39 1jkh s VAL 317 CO 0.11 -0.30 1.03 -1.22 0.00 0.00 0.00 175.10 174.71 1jkh n TYR 318 N -0.13 -3.25 -2.85 5.22 4.01 -1.26 -4.36 117.16 114.53 1jkh n TYR 318 Ca -0.09 -1.50 -0.41 0.00 -0.16 0.00 0.00 57.90 55.74 1jkh n TYR 318 Cb 0.58 -0.76 -0.04 0.00 -0.31 0.00 0.00 39.34 38.81 1jkh n TYR 318 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1jkh s TYR 319 N -3.13 3.72 -0.34 -0.72 6.04 0.39 -4.80 117.35 118.51 1jkh s TYR 319 Ca 0.65 1.60 0.02 0.00 0.04 0.00 0.00 57.07 59.37 1jkh s TYR 319 Cb -0.03 -2.96 0.09 0.00 -1.04 0.00 0.00 41.96 38.02 1jkh s TYR 319 CO 0.44 0.16 0.06 0.34 -1.54 0.00 0.00 175.55 175.01 1jkh s ASP 320 N 0.33 4.85 0.63 4.32 3.68 -1.26 -3.89 116.67 125.33 1jkh s ASP 320 Ca 0.44 -1.93 0.30 0.00 2.13 0.00 0.00 52.55 53.50 1jkh s ASP 320 Cb -0.21 -1.67 1.66 0.00 -1.45 0.00 0.00 42.92 41.24 1jkh s ASP 320 CO 0.26 -0.38 1.93 -0.65 0.13 0.00 0.00 175.17 176.45 1jkh h PRO 321 N 7.78 0.00 -0.12 4.34 0.11 -1.99 -1.09 132.00 141.03 1jkh h PRO 321 Ca -0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1jkh h PRO 321 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1jkh h PRO 321 CO 0.56 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.22 1jkh n SER 322 N -2.83 1.12 -4.44 -2.05 3.41 -1.26 -4.87 113.62 102.69 1jkh n SER 322 Ca -0.02 -1.64 -0.22 0.00 -0.26 0.00 0.00 58.87 56.73 1jkh n SER 322 Cb 0.33 -0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.10 1jkh n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1jkh s LYS 323 N -1.85 1.59 0.57 4.33 1.02 -0.41 -5.13 119.74 119.85 1jkh s LYS 323 Ca 0.30 -1.77 -0.16 0.00 0.02 0.00 0.00 55.97 54.36 1jkh s LYS 323 Cb 0.15 -1.41 -0.05 0.00 -0.52 0.00 0.00 37.83 36.00 1jkh s LYS 323 CO 0.24 0.17 1.03 -0.51 -0.92 0.00 0.00 175.35 175.35 1jkh s ASP 324 N -3.46 6.10 -0.19 2.83 1.01 -1.26 -4.95 116.67 116.74 1jkh s ASP 324 Ca 0.29 1.69 -0.08 0.00 0.71 0.00 0.00 52.55 55.16 1jkh s ASP 324 Cb 0.00 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 1jkh s ASP 324 CO 0.12 -0.95 0.07 -0.76 0.21 0.00 0.00 175.17 173.86 1jkh s LEU 325 N -4.43 3.81 -0.06 1.23 1.43 -1.26 -4.22 118.68 115.18 1jkh s LEU 325 Ca 0.61 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.79 1jkh s LEU 325 Cb -0.13 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 44.14 1jkh s LEU 325 CO 0.37 0.16 -0.08 -0.63 0.23 0.00 0.00 176.35 176.40 1jkh s ILE 326 N 0.46 0.85 -0.13 -0.59 1.01 0.13 -0.56 121.20 122.37 1jkh s ILE 326 Ca 0.03 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.42 1jkh s ILE 326 Cb -0.13 -0.83 0.01 0.00 0.01 0.00 0.00 42.46 41.52 1jkh s ILE 326 CO 0.01 0.30 -0.22 0.00 0.00 0.00 0.00 174.94 175.03 1jkh s ALA 327 N 0.96 2.25 -0.07 9.38 0.00 -0.43 -0.35 121.76 133.51 1jkh s ALA 327 Ca -0.10 -1.07 0.05 0.00 0.00 0.00 0.00 51.96 50.84 1jkh s ALA 327 Cb -0.15 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 21.98 1jkh s ALA 327 CO 0.00 0.02 -0.22 -2.00 0.00 0.00 0.00 175.76 173.56 1jkh s GLU 328 N 0.74 2.70 0.10 0.00 2.12 -0.97 -1.13 118.70 122.27 1jkh s GLU 328 Ca -0.09 -0.85 0.10 0.00 0.36 0.00 0.00 54.97 54.49 1jkh s GLU 328 Cb -0.16 -2.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.94 1jkh s GLU 328 CO -0.00 0.37 -0.23 0.42 -0.54 0.00 0.00 175.26 175.27 1jkh s ILE 329 N -0.11 2.48 -0.00 -3.70 1.01 -0.91 -2.90 121.20 117.06 1jkh s ILE 329 Ca -0.04 -1.56 0.04 0.00 0.00 0.00 0.00 60.65 59.09 1jkh s ILE 329 Cb -0.14 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.23 1jkh s ILE 329 CO 0.04 0.16 -0.14 -1.10 0.00 0.00 0.00 174.94 173.90 1jkh s GLN 330 N -1.89 1.10 -0.58 2.79 1.11 -0.03 -4.10 119.66 118.06 1jkh s GLN 330 Ca 0.15 -0.54 -0.24 0.00 0.01 0.00 0.00 55.36 54.74 1jkh s GLN 330 Cb -0.10 -1.07 0.05 0.00 -1.01 0.00 0.00 33.01 30.87 1jkh s GLN 330 CO 0.07 0.29 0.95 0.21 0.01 0.00 0.00 175.29 176.82 1jkh s LYS 331 N -0.46 3.27 -0.62 2.91 2.20 -1.26 -0.84 119.74 124.94 1jkh s LYS 331 Ca 0.05 -0.40 -0.02 0.00 -0.36 0.00 0.00 55.97 55.24 1jkh s LYS 331 Cb -0.06 -4.10 0.27 0.00 -1.51 0.00 0.00 37.83 32.44 1jkh s LYS 331 CO -0.00 -1.58 2.23 0.94 -0.36 0.00 0.00 175.35 176.58 1jkh n GLN 332 N 7.56 2.50 0.00 4.03 7.27 0.20 -4.70 117.38 134.24 1jkh n GLN 332 Ca 0.00 -2.85 0.00 0.00 0.07 0.00 0.00 57.00 54.23 1jkh n GLN 332 Cb 0.47 -2.14 0.00 0.00 2.41 0.00 0.00 30.24 30.98 1jkh n GLN 332 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1jkh n GLY 333 N -0.11 1.22 3.70 1.69 0.00 -1.22 -4.72 105.19 105.75 1jkh n GLY 333 Ca 0.51 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 1jkh n GLY 333 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jkh s GLN 334 N -1.18 4.36 0.00 1.61 0.74 -1.26 -2.84 119.66 121.09 1jkh s GLN 334 Ca 0.00 1.81 0.00 0.00 0.05 0.00 0.00 55.36 57.22 1jkh s GLN 334 Cb 0.00 -3.47 0.00 0.00 1.10 0.00 0.00 33.01 30.64 1jkh s GLN 334 CO 0.00 -0.42 0.00 0.41 -0.55 0.00 0.00 175.29 174.73 1jkh n GLY 335 N 3.40 1.59 3.67 2.59 0.00 -1.26 -4.71 105.19 110.46 1jkh n GLY 335 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.02 4.07 0.07 1.61 -0.21 -1.13 -3.00 119.66 121.05 1jkh s GLN 336 Ca 0.00 -0.28 0.06 0.00 0.02 0.00 0.00 55.36 55.16 1jkh s GLN 336 Cb 0.00 -3.44 -0.03 0.00 1.00 0.00 0.00 33.01 30.54 1jkh s GLN 336 CO 0.00 0.15 -0.16 -1.58 -2.12 0.00 0.00 175.29 171.58 1jkh s TRP 337 N 0.76 1.37 0.04 0.91 0.52 -0.83 0.60 118.94 122.32 1jkh s TRP 337 Ca 0.07 -0.43 0.08 0.00 0.02 0.00 0.00 56.10 55.84 1jkh s TRP 337 Cb -0.13 -0.78 -0.03 0.00 -1.15 0.00 0.00 33.47 31.39 1jkh s TRP 337 CO 0.02 0.09 -0.24 0.95 0.02 0.00 0.00 176.95 177.79 1jkh s THR 338 N -1.15 1.91 -0.04 2.01 -4.23 -0.02 -1.46 115.64 112.66 1jkh s THR 338 Ca 0.01 -1.29 -0.09 0.00 -1.18 0.00 0.00 61.69 59.15 1jkh s THR 338 Cb -0.10 -1.64 0.01 0.00 1.34 0.00 0.00 72.50 72.12 1jkh s THR 338 CO 0.03 0.30 0.21 -0.72 -0.54 0.00 0.00 174.62 173.89 1jkh s TYR 339 N -0.79 -0.13 -0.02 3.99 -0.85 -0.10 -0.85 117.35 118.60 1jkh s TYR 339 Ca 0.10 0.28 0.01 0.00 -0.52 0.00 0.00 57.07 56.94 1jkh s TYR 339 Cb -0.09 0.04 0.01 0.00 0.38 0.00 0.00 41.96 42.30 1jkh s TYR 339 CO 0.02 -0.22 -0.03 1.14 -1.52 0.00 0.00 175.55 174.94 1jkh s GLN 340 N -0.65 0.39 -0.12 -3.49 0.00 -1.14 -0.14 119.66 114.51 1jkh s GLN 340 Ca -0.07 -0.07 0.00 0.00 -0.00 0.00 0.00 55.36 55.22 1jkh s GLN 340 Cb -0.04 -0.44 -0.02 0.00 0.00 0.00 0.00 33.01 32.51 1jkh s GLN 340 CO 0.01 -0.01 -0.13 0.42 0.00 0.00 0.00 175.29 175.59 1jkh s ILE 341 N 0.40 3.05 0.27 3.63 1.01 0.68 -2.28 121.20 127.97 1jkh s ILE 341 Ca -0.04 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 59.89 1jkh s ILE 341 Cb -0.07 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 1jkh s ILE 341 CO -0.01 0.53 0.38 -0.72 0.00 0.00 0.00 174.94 175.12 1jkh s TYR 342 N 0.27 0.87 0.00 3.97 -0.85 0.53 -0.88 117.35 121.25 1jkh s TYR 342 Ca -0.09 -1.13 0.00 0.00 -0.52 0.00 0.00 57.07 55.33 1jkh s TYR 342 Cb -0.16 -0.14 0.00 0.00 0.38 0.00 0.00 41.96 42.05 1jkh s TYR 342 CO 0.05 -0.94 0.00 1.04 -1.52 0.00 0.00 175.55 174.18 1jkh n GLN 343 N -0.42 2.85 -4.10 -3.49 6.02 -1.26 -0.69 117.38 116.29 1jkh n GLN 343 Ca 0.01 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.74 1jkh n GLN 343 Cb 0.63 -0.96 -0.17 0.00 1.02 0.00 0.00 30.24 30.76 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 -1.91 1.47 -0.26 -1.09 2.02 -1.26 -4.70 118.70 112.97 1jkh s GLU 344 Ca 0.00 -0.26 -0.24 0.00 0.02 0.00 0.00 54.97 54.49 1jkh s GLU 344 Cb 0.00 -1.44 -0.10 0.00 0.10 0.00 0.00 34.13 32.68 1jkh s GLU 344 CO 0.00 -0.17 0.84 -2.30 0.02 0.00 0.00 175.26 173.65 1jkh n PRO 345 N 4.58 0.00 0.00 0.39 -0.02 -1.26 0.07 135.00 138.76 1jkh n PRO 345 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1jkh n PRO 345 Cb 0.51 -0.77 0.00 0.00 -0.02 0.00 0.00 33.50 33.22 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 2.21 0.00 -3.27 6.00 0.99 -1.26 -4.92 117.46 117.20 1jkh n PHE 346 Ca 0.17 0.00 -0.46 0.00 -0.00 0.00 0.00 57.45 57.16 1jkh n PHE 346 Cb -0.03 -0.04 -0.01 0.00 -1.00 0.00 0.00 39.48 38.40 1jkh n PHE 346 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1jkh s LYS 347 N 0.00 3.95 0.38 -1.08 1.02 0.11 -5.04 119.74 119.09 1jkh s LYS 347 Ca 0.00 -2.81 -0.26 0.00 0.02 0.00 0.00 55.97 52.92 1jkh s LYS 347 Cb 0.00 -4.58 -0.09 0.00 -0.52 0.00 0.00 37.83 32.64 1jkh s LYS 347 CO 0.00 -1.34 1.13 -0.80 -0.92 0.00 0.00 175.35 173.42 1jkh s ASN 348 N 1.89 6.70 -0.17 2.83 0.01 -1.26 -4.03 114.94 120.90 1jkh s ASN 348 Ca 0.28 2.26 -0.00 0.00 -0.71 0.00 0.00 52.86 54.68 1jkh s ASN 348 Cb -0.09 -2.61 -0.23 0.00 0.41 0.00 0.00 41.25 38.74 1jkh s ASN 348 CO -0.08 -0.55 0.15 0.18 -1.51 0.00 0.00 177.10 175.30 1jkh n LEU 349 N 0.21 2.46 -3.48 0.60 4.77 -0.06 -1.83 117.00 119.67 1jkh n LEU 349 Ca 0.04 0.09 -0.15 0.00 -0.03 0.00 0.00 56.01 55.95 1jkh n LEU 349 Cb 0.47 -0.84 -0.04 0.00 -2.33 0.00 0.00 43.42 40.67 1jkh n LEU 349 CO 0.50 0.83 0.42 -0.75 -1.33 0.00 0.00 177.39 177.06 1jkh s LYS 350 N -2.54 1.15 0.08 3.23 2.20 -1.12 -4.14 119.74 118.60 1jkh s LYS 350 Ca -0.25 -0.05 -0.01 0.00 -0.36 0.00 0.00 55.97 55.30 1jkh s LYS 350 Cb 0.08 0.54 -0.04 0.00 -1.51 0.00 0.00 37.83 36.89 1jkh s LYS 350 CO 0.72 -0.43 -0.00 0.95 -0.36 0.00 0.00 175.35 176.23 1jkh s THR 351 N -2.28 0.20 0.08 3.43 -4.23 -1.26 -0.23 115.64 111.36 1jkh s THR 351 Ca -0.06 -1.85 -0.27 0.00 -1.18 0.00 0.00 61.69 58.33 1jkh s THR 351 Cb -0.00 -1.72 0.09 0.00 1.34 0.00 0.00 72.50 72.21 1jkh s THR 351 CO 0.00 -0.80 1.12 -0.83 -0.54 0.00 0.00 174.62 173.57 1jkh s GLY 352 N -2.97 -0.25 0.00 3.99 0.00 0.81 -4.60 107.32 104.30 1jkh s GLY 352 Ca 0.13 0.27 0.02 0.00 0.00 0.00 0.00 44.72 45.14 1jkh s GLY 352 CO -0.05 0.73 -0.05 1.25 0.00 0.00 0.00 173.10 174.97 1jkh s LYS 353 N -2.72 0.41 -0.15 2.90 2.20 -1.26 -0.92 119.74 120.20 1jkh s LYS 353 Ca 0.15 -0.23 0.01 0.00 -0.36 0.00 0.00 55.97 55.55 1jkh s LYS 353 Cb 0.01 -0.38 0.01 0.00 -1.51 0.00 0.00 37.83 35.96 1jkh s LYS 353 CO 0.00 0.10 -0.19 0.71 -0.36 0.00 0.00 175.35 175.61 1jkh s TYR 354 N -0.24 2.72 0.52 4.03 2.02 -0.53 -4.96 117.35 120.91 1jkh s TYR 354 Ca 0.01 -1.23 -0.12 0.00 -0.37 0.00 0.00 57.07 55.36 1jkh s TYR 354 Cb -0.03 -1.85 -0.06 0.00 -0.40 0.00 0.00 41.96 39.62 1jkh s TYR 354 CO -0.00 -0.56 0.93 0.00 -1.57 0.00 0.00 175.55 174.34 1jkh s ALA 355 N 0.84 3.18 -0.60 3.71 0.00 -1.26 -1.96 121.76 125.67 1jkh s ALA 355 Ca -0.06 -0.06 -0.34 0.00 0.00 0.00 0.00 51.96 51.50 1jkh s ALA 355 Cb -0.15 -2.95 -0.15 0.00 0.00 0.00 0.00 23.12 19.86 1jkh s ALA 355 CO -0.02 -0.33 2.38 -2.13 0.00 0.00 0.00 175.76 175.66 1jkh n ARG 356 N -1.94 0.56 -2.56 0.00 3.00 -1.16 -4.78 116.66 109.77 1jkh n ARG 356 Ca 0.05 0.10 -0.41 0.00 -0.00 0.00 0.00 57.85 57.59 1jkh n ARG 356 Cb 0.54 -2.18 -0.03 0.00 0.00 0.00 0.00 32.46 30.79 1jkh n ARG 356 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 1jkh s MET 357 N 7.42 3.30 -0.81 -0.14 -2.45 -1.26 -4.97 119.30 120.38 1jkh s MET 357 Ca 1.17 -0.49 -0.21 0.00 -1.25 0.00 0.00 55.69 54.91 1jkh s MET 357 Cb -0.97 -4.50 0.09 0.00 1.25 0.00 0.00 34.83 30.71 1jkh s MET 357 CO 0.48 -2.16 1.09 -0.98 1.05 0.00 0.00 175.02 174.50 1jkh s ARG 358 N 5.49 3.37 0.00 4.11 1.70 -1.26 -5.01 118.95 127.36 1jkh s ARG 358 Ca 0.38 -1.25 0.00 0.00 -0.47 0.00 0.00 55.73 54.38 1jkh s ARG 358 Cb -0.06 -4.64 0.00 0.00 -0.57 0.00 0.00 34.95 29.68 1jkh s ARG 358 CO 0.08 -1.84 0.00 0.41 -1.08 0.00 0.00 175.30 172.87 1jkh n GLY 359 N 5.56 4.78 0.25 3.88 0.00 -1.26 -4.97 105.19 113.42 1jkh n GLY 359 Ca 0.12 -2.07 -0.10 0.00 0.00 0.00 0.00 46.02 43.97 1jkh n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jkh h ALA 360 N 0.27 0.71 0.00 4.61 0.00 -1.94 -3.16 119.26 119.75 1jkh h ALA 360 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1jkh h ALA 360 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1jkh h ALA 360 CO 0.00 0.66 0.00 -2.39 0.00 0.00 0.00 179.25 177.52 1jkh n HIS 361 N -4.04 0.00 -2.13 0.00 1.44 -1.26 -4.14 115.22 105.09 1jkh n HIS 361 Ca -0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 1jkh n HIS 361 Cb 0.53 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 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 0.00 0.00 -3.65 0.61 -2.24 -1.02 -4.97 114.28 103.02 1jkh n THR 362 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1jkh n THR 362 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 1jkh n THR 362 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1jkh s ASN 363 N 1.00 -0.13 0.11 3.42 2.20 -1.26 -0.65 114.94 119.64 1jkh s ASN 363 Ca 0.00 -0.18 -0.33 0.00 -0.94 0.00 0.00 52.86 51.41 1jkh s ASN 363 Cb 0.00 0.27 -0.12 0.00 -2.00 0.00 0.00 41.25 39.41 1jkh s ASN 363 CO 0.00 -0.49 1.57 0.44 -2.94 0.00 0.00 177.10 175.67 1jkh h ASP 364 N 2.00 -1.51 -0.95 3.54 3.45 -1.94 0.18 116.42 121.20 1jkh h ASP 364 Ca -0.25 0.17 0.19 0.00 0.43 0.00 0.00 57.03 57.57 1jkh h ASP 364 Cb 1.21 0.57 -0.11 0.00 -0.56 0.00 0.00 39.33 40.45 1jkh h ASP 364 CO 0.27 -0.51 0.53 0.58 -1.57 0.00 0.00 179.24 178.54 1jkh h VAL 365 N -0.66 0.67 -0.06 -1.35 2.07 -1.92 0.82 116.25 115.83 1jkh h VAL 365 Ca 0.02 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1jkh h VAL 365 Cb 0.71 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1jkh h VAL 365 CO -0.33 0.12 -0.03 0.50 0.02 0.00 0.00 177.57 177.85 1jkh h LYS 366 N 0.67 0.13 -0.74 1.57 1.63 -1.87 -1.53 116.57 116.43 1jkh h LYS 366 Ca 0.55 -0.06 0.08 0.00 -0.85 0.00 0.00 60.65 60.38 1jkh h LYS 366 Cb 0.87 -0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.43 1jkh h LYS 366 CO -0.40 0.52 0.40 1.96 -3.45 0.00 0.00 179.45 178.48 1jkh h GLN 367 N -0.26 0.68 -0.40 1.90 1.08 0.11 -0.86 115.11 117.35 1jkh h GLN 367 Ca 0.01 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1jkh h GLN 367 Cb 0.48 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 1jkh h GLN 367 CO 0.01 0.45 0.21 1.25 -0.95 0.00 0.00 178.83 179.80 1jkh h LEU 368 N 0.70 0.50 -0.60 1.46 6.46 0.61 -1.78 115.31 122.66 1jkh h LEU 368 Ca 0.35 -0.10 0.08 0.00 -0.12 0.00 0.00 57.88 58.09 1jkh h LEU 368 Cb 0.31 -0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 40.05 1jkh h LEU 368 CO -0.24 0.46 0.26 0.74 -0.62 0.00 0.00 178.44 179.04 1jkh h THR 369 N 0.51 0.84 -0.33 1.05 2.02 -0.11 -0.38 112.91 116.51 1jkh h THR 369 Ca 0.14 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 1jkh h THR 369 Cb 0.07 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 1jkh h THR 369 CO -0.02 0.09 -0.18 -0.33 0.37 0.00 0.00 175.52 175.44 1jkh h GLU 370 N 0.47 0.60 -0.18 6.66 5.08 -1.00 -1.54 114.58 124.67 1jkh h GLU 370 Ca 0.29 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1jkh h GLU 370 Cb 0.30 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1jkh h GLU 370 CO -0.26 0.76 0.11 0.00 -1.00 0.00 0.00 179.01 178.62 1jkh h ALA 371 N 1.26 0.22 -0.90 3.43 0.00 -0.42 -0.42 119.26 122.43 1jkh h ALA 371 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1jkh h ALA 371 Cb 0.62 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1jkh h ALA 371 CO 0.04 -0.28 0.53 0.28 0.00 0.00 0.00 179.25 179.82 1jkh h VAL 372 N 0.22 1.25 -0.72 0.00 2.07 -0.87 -1.02 116.25 117.18 1jkh h VAL 372 Ca 0.06 -0.57 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 1jkh h VAL 372 Cb 0.00 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.73 1jkh h VAL 372 CO -0.01 0.27 0.20 0.06 0.02 0.00 0.00 177.57 178.11 1jkh h GLN 373 N 1.25 1.14 -0.06 1.57 -0.00 -0.69 -1.23 115.11 117.10 1jkh h GLN 373 Ca 0.32 -0.26 -0.00 0.00 -0.00 0.00 0.00 58.65 58.71 1jkh h GLN 373 Cb -0.03 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.48 27.29 1jkh h GLN 373 CO -0.06 0.99 0.03 0.87 -0.00 0.00 0.00 178.83 180.67 1jkh h LYS 374 N 1.09 0.08 0.00 0.06 1.57 -0.39 -1.22 116.57 117.77 1jkh h LYS 374 Ca 0.23 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.94 1jkh h LYS 374 Cb 0.34 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1jkh h LYS 374 CO -0.00 0.12 -0.28 0.82 -0.57 0.00 0.00 179.45 179.54 1jkh h ILE 375 N 0.02 0.99 -0.20 1.86 2.04 -1.10 -1.47 117.51 119.63 1jkh h ILE 375 Ca 0.02 -1.03 -0.11 0.00 1.00 0.00 0.00 64.86 64.74 1jkh h ILE 375 Cb 0.06 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1jkh h ILE 375 CO -0.00 0.27 -0.31 0.74 0.00 0.00 0.00 178.15 178.84 1jkh h THR 376 N 0.00 1.33 -0.40 -0.27 2.02 -0.75 -1.79 112.91 113.06 1jkh h THR 376 Ca -0.00 -1.53 -0.14 0.00 0.77 0.00 0.00 66.41 65.51 1jkh h THR 376 Cb 0.57 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 1jkh h THR 376 CO 0.04 0.47 -0.30 0.74 0.37 0.00 0.00 175.52 176.84 1jkh h THR 377 N 0.25 1.27 -0.40 3.16 2.02 -0.97 -1.65 112.91 116.59 1jkh h THR 377 Ca 0.02 -1.46 0.04 0.00 0.77 0.00 0.00 66.41 65.78 1jkh h THR 377 Cb 0.90 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 1jkh h THR 377 CO 0.07 0.49 0.19 -0.08 0.37 0.00 0.00 175.52 176.56 1jkh h GLU 378 N 0.73 0.37 -0.47 6.66 4.81 -1.26 -2.21 114.58 123.22 1jkh h GLU 378 Ca 0.08 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1jkh h GLU 378 Cb 0.86 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 1jkh h GLU 378 CO 0.08 0.25 0.15 0.77 -0.73 0.00 0.00 179.01 179.53 1jkh h SER 379 N 0.39 0.67 -0.58 1.04 0.02 -1.14 0.11 113.55 114.06 1jkh h SER 379 Ca 0.18 -0.20 0.06 0.00 -0.84 0.00 0.00 61.79 60.98 1jkh h SER 379 Cb 0.10 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 1jkh h SER 379 CO -0.14 0.69 0.38 0.40 -1.14 0.00 0.00 176.83 177.03 1jkh h ILE 380 N 0.62 1.01 0.11 3.27 1.08 -1.08 0.18 117.51 122.69 1jkh h ILE 380 Ca 0.15 -0.20 -0.01 0.00 -0.39 0.00 0.00 64.86 64.42 1jkh h ILE 380 Cb 0.25 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 34.39 1jkh h ILE 380 CO -0.01 0.10 -0.05 0.58 -0.69 0.00 0.00 178.15 178.09 1jkh h VAL 381 N 0.57 1.10 0.01 1.67 2.07 -0.74 -0.19 116.25 120.74 1jkh h VAL 381 Ca 0.25 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1jkh h VAL 381 Cb 0.25 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1jkh h VAL 381 CO -0.07 0.25 -0.00 0.40 0.02 0.00 0.00 177.57 178.16 1jkh h ILE 382 N -0.67 1.33 -0.00 4.57 1.08 -0.64 -3.39 117.51 119.79 1jkh h ILE 382 Ca -0.01 -1.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.45 1jkh h ILE 382 Cb 0.52 2.01 0.00 0.00 -3.07 0.00 0.00 36.82 36.27 1jkh h ILE 382 CO 0.02 0.26 -0.13 0.79 -0.69 0.00 0.00 178.15 178.41 1jkh n TRP 383 N -4.89 0.00 -1.68 1.37 8.01 0.57 -4.69 117.44 116.14 1jkh n TRP 383 Ca -0.08 0.00 -0.12 0.00 -1.31 0.00 0.00 57.50 55.98 1jkh n TRP 383 Cb 0.22 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 29.49 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 0.92 0.79 3.09 6.99 0.00 -0.08 -4.98 105.19 111.93 1jkh n GLY 384 Ca 0.01 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 1jkh n GLY 384 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jkh s LYS 385 N -3.62 0.54 -0.18 1.61 1.02 -1.23 -4.91 119.74 112.97 1jkh s LYS 385 Ca 0.00 -0.72 -0.07 0.00 0.02 0.00 0.00 55.97 55.20 1jkh s LYS 385 Cb 0.00 0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.48 1jkh s LYS 385 CO 0.00 -0.13 0.05 0.99 -0.92 0.00 0.00 175.35 175.35 1jkh s THR 386 N -2.39 4.72 0.93 2.17 2.01 -1.26 -3.46 115.64 118.36 1jkh s THR 386 Ca -0.07 -0.06 -0.12 0.00 0.31 0.00 0.00 61.69 61.75 1jkh s THR 386 Cb -0.03 -3.12 0.15 0.00 0.01 0.00 0.00 72.50 69.51 1jkh s THR 386 CO -0.04 0.47 1.10 -2.84 -0.69 0.00 0.00 174.62 172.63 1jkh s PRO 387 N 0.32 0.98 -0.09 4.92 0.02 -1.26 -4.87 135.00 135.02 1jkh s PRO 387 Ca 0.03 0.53 -0.14 0.00 0.02 0.00 0.00 61.00 61.44 1jkh s PRO 387 Cb -0.12 -1.80 -0.05 0.00 0.02 0.00 0.00 34.50 32.55 1jkh s PRO 387 CO 0.00 -2.36 0.35 0.15 -0.33 0.00 0.00 177.00 174.82 1jkh s LYS 388 N -5.06 4.07 0.04 5.54 1.02 0.28 -4.83 119.74 120.80 1jkh s LYS 388 Ca 0.64 0.25 -0.08 0.00 0.02 0.00 0.00 55.97 56.81 1jkh s LYS 388 Cb -0.17 -3.33 -0.05 0.00 -0.52 0.00 0.00 37.83 33.76 1jkh s LYS 388 CO 0.56 0.44 0.33 -0.06 -0.92 0.00 0.00 175.35 175.70 1jkh s PHE 389 N -0.21 3.58 -0.32 3.18 0.40 -0.97 -1.31 117.98 122.33 1jkh s PHE 389 Ca 0.21 0.66 0.02 0.00 -0.60 0.00 0.00 56.93 57.22 1jkh s PHE 389 Cb -0.15 -2.06 0.10 0.00 0.51 0.00 0.00 43.02 41.42 1jkh s PHE 389 CO 0.09 0.57 0.06 0.15 0.70 0.00 0.00 175.22 176.78 1jkh s LYS 390 N -1.86 1.23 -0.02 0.44 1.02 -0.28 0.14 119.74 120.41 1jkh s LYS 390 Ca 0.30 -1.54 0.01 0.00 0.02 0.00 0.00 55.97 54.77 1jkh s LYS 390 Cb -0.13 -2.74 -0.03 0.00 -0.52 0.00 0.00 37.83 34.40 1jkh s LYS 390 CO 0.17 -0.93 -0.03 -0.51 -0.92 0.00 0.00 175.35 173.14 1jkh s LEU 391 N 1.18 3.39 -1.57 3.17 1.43 -0.02 -2.15 118.68 124.11 1jkh s LEU 391 Ca 0.09 -0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 1jkh s LEU 391 Cb -0.18 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 1jkh s LEU 391 CO -0.14 0.30 2.74 -0.81 0.23 0.00 0.00 176.35 178.67 1jkh n PRO 392 N 1.64 3.49 -3.64 1.29 -0.04 -1.26 -1.42 135.00 135.07 1jkh n PRO 392 Ca -0.16 -2.36 -0.15 0.00 -0.04 0.00 0.00 63.50 60.79 1jkh n PRO 392 Cb 0.53 -2.93 -0.08 0.00 -0.04 0.00 0.00 33.50 30.98 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 2.35 0.02 0.08 0.52 2.07 -1.26 -1.35 121.20 123.63 1jkh s ILE 393 Ca 0.63 -0.15 -0.21 0.00 -1.41 0.00 0.00 60.65 59.51 1jkh s ILE 393 Cb 0.17 -0.82 -0.07 0.00 0.13 0.00 0.00 42.46 41.87 1jkh s ILE 393 CO -0.07 -0.08 0.62 -1.10 -1.91 0.00 0.00 174.94 172.40 1jkh s GLN 394 N -0.82 4.29 0.63 3.50 -0.21 -1.26 -4.51 119.66 121.29 1jkh s GLN 394 Ca -0.09 0.83 0.28 0.00 0.02 0.00 0.00 55.36 56.40 1jkh s GLN 394 Cb -0.03 -3.26 1.50 0.00 1.00 0.00 0.00 33.01 32.22 1jkh s GLN 394 CO 0.06 0.59 1.87 0.87 -2.12 0.00 0.00 175.29 176.56 1jkh h LYS 395 N 4.64 0.00 -0.09 2.91 1.79 -1.98 0.43 116.57 124.27 1jkh h LYS 395 Ca -0.48 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 57.75 1jkh h LYS 395 Cb 1.21 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.88 1jkh h LYS 395 CO 0.65 0.00 -0.88 1.49 -1.08 0.00 0.00 179.45 179.63 1jkh h GLU 396 N 0.00 0.76 0.07 3.15 4.57 -1.97 0.11 114.58 121.28 1jkh h GLU 396 Ca 0.10 -0.69 -0.00 0.00 -1.18 0.00 0.00 59.36 57.59 1jkh h GLU 396 Cb 0.96 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1jkh h GLU 396 CO -0.00 1.28 -0.03 1.15 -1.18 0.00 0.00 179.01 180.23 1jkh h THR 397 N 0.48 1.20 -0.59 0.32 2.02 -0.58 0.35 112.91 116.11 1jkh h THR 397 Ca -0.08 -1.04 0.07 0.00 0.77 0.00 0.00 66.41 66.12 1jkh h THR 397 Cb 1.52 1.86 -0.06 0.00 -1.74 0.00 0.00 68.15 69.74 1jkh h THR 397 CO 0.18 0.25 0.29 -0.25 0.37 0.00 0.00 175.52 176.36 1jkh h TRP 398 N -0.57 0.52 -0.25 3.16 2.91 -1.33 0.74 115.95 121.12 1jkh h TRP 398 Ca -0.01 0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.09 1jkh h TRP 398 Cb 0.49 -0.14 -0.05 0.00 -0.51 0.00 0.00 29.16 28.94 1jkh h TRP 398 CO 0.08 0.22 -0.07 1.49 -1.03 0.00 0.00 178.44 179.13 1jkh h GLU 399 N 0.53 -0.02 -0.42 2.65 4.57 -0.57 -1.45 114.58 119.87 1jkh h GLU 399 Ca 0.28 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.35 1jkh h GLU 399 Cb 0.23 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1jkh h GLU 399 CO -0.21 -0.01 -0.16 1.15 -1.18 0.00 0.00 179.01 178.60 1jkh h THR 400 N -0.02 1.28 0.55 0.32 2.02 0.70 -2.61 112.91 115.15 1jkh h THR 400 Ca 0.12 -1.29 -0.03 0.00 0.77 0.00 0.00 66.41 65.98 1jkh h THR 400 Cb 0.20 1.22 0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1jkh h THR 400 CO -0.26 0.44 -0.26 -0.25 0.37 0.00 0.00 175.52 175.55 1jkh h TRP 401 N 0.68 -0.68 -0.22 3.16 2.91 0.82 -3.03 115.95 119.59 1jkh h TRP 401 Ca 0.10 -0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.13 1jkh h TRP 401 Cb 0.72 0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 29.57 1jkh h TRP 401 CO 0.05 -0.42 0.07 2.35 -1.03 0.00 0.00 178.44 179.46 1jkh h TRP 402 N -0.74 0.13 -0.02 2.65 7.01 -1.40 0.49 115.95 124.07 1jkh h TRP 402 Ca -0.07 0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.94 1jkh h TRP 402 Cb 0.56 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.60 1jkh h TRP 402 CO 0.10 0.06 0.46 1.15 -2.79 0.00 0.00 178.44 177.42 1jkh h THR 403 N 0.17 0.01 0.00 2.65 2.02 -1.54 -1.81 112.91 114.41 1jkh h THR 403 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1jkh h THR 403 Cb 0.07 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1jkh h THR 403 CO -0.10 0.00 0.00 -1.84 0.37 0.00 0.00 175.52 173.95 1jkh n GLU 404 N -2.84 0.15 -3.29 6.66 0.28 -0.68 -5.06 120.64 115.87 1jkh n GLU 404 Ca -0.01 -0.63 -0.36 0.00 -0.16 0.00 0.00 57.16 56.00 1jkh n GLU 404 Cb 0.50 -0.87 -0.06 0.00 1.43 0.00 0.00 31.44 32.45 1jkh n GLU 404 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 1jkh s TYR 405 N -0.22 3.64 -0.82 -1.84 5.04 0.08 -4.99 117.35 118.23 1jkh s TYR 405 Ca 0.00 1.16 0.21 0.00 -2.44 0.00 0.00 57.07 55.99 1jkh s TYR 405 Cb 0.00 -2.44 0.84 0.00 0.35 0.00 0.00 41.96 40.71 1jkh s TYR 405 CO 0.00 0.43 1.64 -2.67 -1.34 0.00 0.00 175.55 173.61 1jkh n TRP 406 N 0.89 0.33 -4.25 4.97 4.27 -1.26 -4.83 117.44 117.56 1jkh n TRP 406 Ca -0.05 0.12 -0.27 0.00 -3.89 0.00 0.00 57.50 53.40 1jkh n TRP 406 Cb 0.52 -0.69 -0.09 0.00 -1.36 0.00 0.00 31.31 29.68 1jkh n TRP 406 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 1jkh s GLN 407 N -3.10 2.18 -0.03 -2.67 0.74 -1.26 -5.07 119.66 110.45 1jkh s GLN 407 Ca 0.08 -1.16 -0.30 0.00 0.05 0.00 0.00 55.36 54.02 1jkh s GLN 407 Cb 0.11 -2.25 -0.06 0.00 1.10 0.00 0.00 33.01 31.91 1jkh s GLN 407 CO 0.38 0.46 1.57 0.00 -0.55 0.00 0.00 175.29 177.14 1jkh s ALA 408 N -1.60 3.63 0.03 1.58 0.00 -1.26 -4.97 121.76 119.16 1jkh s ALA 408 Ca 0.25 0.93 0.01 0.00 0.00 0.00 0.00 51.96 53.15 1jkh s ALA 408 Cb -0.09 -3.69 -0.02 0.00 0.00 0.00 0.00 23.12 19.31 1jkh s ALA 408 CO 0.16 -1.22 -0.05 -0.08 0.00 0.00 0.00 175.76 174.57 1jkh s THR 409 N 3.39 0.30 0.14 0.00 -1.32 -1.26 -5.17 115.64 111.71 1jkh s THR 409 Ca 0.70 -0.99 -0.23 0.00 -1.21 0.00 0.00 61.69 59.96 1jkh s THR 409 Cb -0.33 -0.42 0.06 0.00 -1.51 0.00 0.00 72.50 70.30 1jkh s THR 409 CO 0.28 -0.45 0.58 0.86 -2.21 0.00 0.00 174.62 173.67 1jkh s TRP 410 N -1.44 -0.50 -0.10 9.09 -0.00 -1.26 -5.07 118.94 119.66 1jkh s TRP 410 Ca -0.13 0.33 -0.04 0.00 -0.00 0.00 0.00 56.10 56.26 1jkh s TRP 410 Cb -0.10 0.50 0.05 0.00 -0.00 0.00 0.00 33.47 33.93 1jkh s TRP 410 CO -0.00 -0.80 0.21 0.42 -0.00 0.00 0.00 176.95 176.77 1jkh s ILE 411 N -3.52 -0.32 1.15 5.86 1.01 -1.26 -4.94 121.20 119.18 1jkh s ILE 411 Ca 0.00 0.31 -0.18 0.00 0.00 0.00 0.00 60.65 60.79 1jkh s ILE 411 Cb -0.01 -0.36 0.18 0.00 0.01 0.00 0.00 42.46 42.29 1jkh s ILE 411 CO -0.11 0.13 0.31 -2.65 0.00 0.00 0.00 174.94 172.62 1jkh n PRO 412 N 5.27 -2.36 -1.66 2.79 -0.02 -1.26 -4.73 135.00 133.03 1jkh n PRO 412 Ca -0.07 -0.68 -0.62 0.00 -2.02 0.00 0.00 63.50 60.11 1jkh n PRO 412 Cb 0.50 -1.72 -0.08 0.00 -0.02 0.00 0.00 33.50 32.17 1jkh n PRO 412 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1jkh n GLU 413 N -2.84 0.36 -3.91 -0.52 2.13 -1.26 -4.83 120.64 109.77 1jkh n GLU 413 Ca 0.04 0.13 -0.09 0.00 0.66 0.00 0.00 57.16 57.89 1jkh n GLU 413 Cb 0.54 -1.68 -0.07 0.00 0.27 0.00 0.00 31.44 30.50 1jkh n GLU 413 CO 0.00 0.00 0.00 1.67 -0.41 0.00 0.00 177.13 178.39 1jkh s TRP 414 N 2.03 0.28 -0.00 4.31 1.48 -1.26 -2.29 118.94 123.49 1jkh s TRP 414 Ca 0.98 -0.67 0.03 0.00 -1.06 0.00 0.00 56.10 55.38 1jkh s TRP 414 Cb -1.29 -0.04 -0.01 0.00 -1.16 0.00 0.00 33.47 30.97 1jkh s TRP 414 CO 0.68 -0.66 -0.08 -2.00 -4.06 0.00 0.00 176.95 170.83 1jkh s GLU 415 N -3.92 0.66 0.28 3.25 2.12 0.37 -4.92 118.70 116.54 1jkh s GLU 415 Ca 0.12 -0.32 -0.29 0.00 0.36 0.00 0.00 54.97 54.84 1jkh s GLU 415 Cb 0.04 -0.63 -0.10 0.00 0.26 0.00 0.00 34.13 33.70 1jkh s GLU 415 CO -0.04 0.17 1.12 0.12 -0.54 0.00 0.00 175.26 176.08 1jkh s PHE 416 N -0.25 3.54 -0.10 5.30 5.36 -1.26 -0.84 117.98 129.73 1jkh s PHE 416 Ca 0.03 1.68 -0.01 0.00 -0.96 0.00 0.00 56.93 57.66 1jkh s PHE 416 Cb -0.04 -3.32 0.03 0.00 -0.34 0.00 0.00 43.02 39.36 1jkh s PHE 416 CO -0.00 -0.65 -0.01 0.08 -1.46 0.00 0.00 175.22 173.17 1jkh s VAL 417 N -1.16 0.56 -1.24 3.12 1.01 -0.51 -4.83 120.40 117.36 1jkh s VAL 417 Ca 0.45 -0.08 -0.14 0.00 0.00 0.00 0.00 61.98 62.21 1jkh s VAL 417 Cb -0.33 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 1jkh s VAL 417 CO 0.42 0.22 2.29 -3.20 0.00 0.00 0.00 175.10 174.83 1jkh n ASN 418 N 5.08 4.73 -3.97 3.32 2.85 -1.26 -4.04 115.26 121.97 1jkh n ASN 418 Ca -0.09 -2.66 -0.31 0.00 -0.11 0.00 0.00 54.58 51.41 1jkh n ASN 418 Cb 0.50 -1.42 -0.12 0.00 1.24 0.00 0.00 39.78 39.98 1jkh n ASN 418 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1jkh s THR 419 N 3.46 3.05 0.91 -0.44 2.01 -1.26 -5.10 115.64 118.27 1jkh s THR 419 Ca 0.53 -3.69 -0.12 0.00 0.31 0.00 0.00 61.69 58.72 1jkh s THR 419 Cb 0.14 -3.02 0.07 0.00 0.01 0.00 0.00 72.50 69.70 1jkh s THR 419 CO -0.02 -0.92 0.73 -2.65 -0.69 0.00 0.00 174.62 171.07 1jkh n PRO 420 N 2.66 -0.27 -2.24 4.92 -0.02 -1.26 -4.44 135.00 134.35 1jkh n PRO 420 Ca 0.12 -0.02 -0.42 0.00 -2.02 0.00 0.00 63.50 61.16 1jkh n PRO 420 Cb 0.34 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 1jkh n PRO 420 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1jkh s PRO 421 N -3.95 4.33 0.65 0.52 0.04 -1.26 -5.02 135.00 130.31 1jkh s PRO 421 Ca 0.62 1.98 -0.11 0.00 0.04 0.00 0.00 61.00 63.53 1jkh s PRO 421 Cb -0.23 -3.39 -0.01 0.00 0.04 0.00 0.00 34.50 30.91 1jkh s PRO 421 CO 0.62 -0.45 1.04 -0.51 0.04 0.00 0.00 177.00 177.74 1jkh s LEU 422 N 1.58 3.10 -0.21 -3.56 1.43 -1.26 -4.37 118.68 115.40 1jkh s LEU 422 Ca 0.63 1.23 -0.11 0.00 -1.03 0.00 0.00 54.13 54.85 1jkh s LEU 422 Cb -0.33 -4.15 -0.05 0.00 0.03 0.00 0.00 46.19 41.68 1jkh s LEU 422 CO 0.29 -1.07 0.19 0.54 0.23 0.00 0.00 176.35 176.53 1jkh s VAL 423 N -3.23 5.36 0.31 -1.59 0.11 -0.46 -5.05 120.40 115.85 1jkh s VAL 423 Ca 0.56 0.29 0.07 0.00 -2.93 0.00 0.00 61.98 59.97 1jkh s VAL 423 Cb -0.11 -3.53 -0.03 0.00 -1.53 0.00 0.00 36.38 31.18 1jkh s VAL 423 CO 0.52 0.38 0.26 2.29 -3.33 0.00 0.00 175.10 175.22 1jkh n LYS 424 N 3.89 0.39 -3.53 1.54 2.85 -1.26 -4.69 118.16 117.34 1jkh n LYS 424 Ca -0.14 -3.08 -0.42 0.00 -1.05 0.00 0.00 58.31 53.63 1jkh n LYS 424 Cb 0.52 2.49 -0.10 0.00 -0.65 0.00 0.00 35.03 37.30 1jkh n LYS 424 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1jkh s LEU 425 N 0.00 5.16 0.04 -5.58 1.43 -1.26 -4.50 118.68 113.96 1jkh s LEU 425 Ca 0.36 -1.27 0.08 0.00 -1.03 0.00 0.00 54.13 52.27 1jkh s LEU 425 Cb 0.02 -2.06 0.36 0.00 0.03 0.00 0.00 46.19 44.54 1jkh s LEU 425 CO 0.26 -0.52 1.26 0.79 0.23 0.00 0.00 176.35 178.36 1jkh n TRP 426 N 5.03 0.09 -3.58 0.29 7.02 -1.26 -4.78 117.44 120.25 1jkh n TRP 426 Ca -0.11 0.04 -0.05 0.00 -1.02 0.00 0.00 57.50 56.36 1jkh n TRP 426 Cb 0.44 -0.57 -0.02 0.00 -2.42 0.00 0.00 31.31 28.74 1jkh n TRP 426 CO 0.00 0.00 0.00 1.52 -2.02 0.00 0.00 177.69 177.19 1jkh s TYR 427 N -3.05 -0.16 -0.02 -5.99 1.13 -1.26 -4.68 117.35 103.31 1jkh s TYR 427 Ca 0.03 0.12 -0.01 0.00 -1.41 0.00 0.00 57.07 55.80 1jkh s TYR 427 Cb 0.04 0.51 0.02 0.00 -1.10 0.00 0.00 41.96 41.44 1jkh s TYR 427 CO 0.13 -0.25 0.05 -0.65 -2.51 0.00 0.00 175.55 172.32 1jkh s GLN 428 N -2.40 0.01 0.41 -3.49 -0.21 -1.26 -5.00 119.66 107.71 1jkh s GLN 428 Ca 0.08 0.16 -0.24 0.00 0.02 0.00 0.00 55.36 55.38 1jkh s GLN 428 Cb -0.01 -0.13 -0.09 0.00 1.00 0.00 0.00 33.01 33.78 1jkh s GLN 428 CO -0.05 -0.10 1.06 -0.51 -2.12 0.00 0.00 175.29 173.56 1jkh s LEU 429 N 0.67 4.12 0.93 2.90 1.43 -1.26 -4.68 118.68 122.79 1jkh s LEU 429 Ca -0.05 2.05 -0.11 0.00 -1.03 0.00 0.00 54.13 54.99 1jkh s LEU 429 Cb -0.08 -4.20 0.16 0.00 0.03 0.00 0.00 46.19 42.10 1jkh s LEU 429 CO -0.02 -0.53 1.11 -1.61 0.23 0.00 0.00 176.35 175.53 1jkh s GLU 430 N -2.54 0.89 -0.01 1.70 0.41 0.26 -4.94 118.70 114.47 1jkh s GLU 430 Ca 0.58 1.29 0.16 0.00 -0.41 0.00 0.00 54.97 56.60 1jkh s GLU 430 Cb -0.22 -1.73 -0.20 0.00 -1.78 0.00 0.00 34.13 30.20 1jkh s GLU 430 CO 0.28 -2.64 0.61 1.63 -0.49 0.00 0.00 175.26 174.65 1jkh n LYS 431 N -4.21 1.31 -4.08 1.61 5.02 -1.26 -4.74 118.16 111.80 1jkh n LYS 431 Ca 0.09 -0.04 -0.09 0.00 -2.02 0.00 0.00 58.31 56.26 1jkh n LYS 431 Cb 0.53 -1.31 -0.10 0.00 -0.02 0.00 0.00 35.03 34.13 1jkh n LYS 431 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1jkh s GLU 432 N -2.71 0.58 1.01 1.97 0.41 -1.26 -5.13 118.70 113.57 1jkh s GLU 432 Ca 0.03 -1.07 -0.12 0.00 -0.41 0.00 0.00 54.97 53.39 1jkh s GLU 432 Cb 0.12 0.07 0.16 0.00 -1.78 0.00 0.00 34.13 32.70 1jkh s GLU 432 CO 0.68 -0.07 0.86 -2.30 -0.49 0.00 0.00 175.26 173.94 1jkh n PRO 433 N 0.51 -1.04 -4.11 0.39 -0.02 -1.26 -4.85 135.00 124.63 1jkh n PRO 433 Ca -0.16 -0.25 -0.34 0.00 -2.02 0.00 0.00 63.50 60.72 1jkh n PRO 433 Cb 0.59 -2.16 -0.10 0.00 -0.02 0.00 0.00 33.50 31.81 1jkh n PRO 433 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1jkh s ILE 434 N -2.49 4.57 -0.03 4.25 1.01 -1.26 -5.08 121.20 122.17 1jkh s ILE 434 Ca 0.64 -0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.88 1jkh s ILE 434 Cb -0.22 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 1jkh s ILE 434 CO 0.62 0.48 1.02 -0.69 0.00 0.00 0.00 174.94 176.37 1jkh s VAL 435 N 0.31 4.72 0.00 2.92 1.01 -1.26 -3.50 120.40 124.60 1jkh s VAL 435 Ca 0.02 1.97 0.00 0.00 0.00 0.00 0.00 61.98 63.96 1jkh s VAL 435 Cb -0.13 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.99 1jkh s VAL 435 CO 0.01 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1jkh n GLY 436 N 3.01 2.61 3.76 4.51 0.00 -1.26 -5.01 105.19 112.81 1jkh n GLY 436 Ca 0.07 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1jkh n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jkh s ALA 437 N -1.29 2.96 1.09 4.61 0.00 -1.23 -4.97 121.76 122.93 1jkh s ALA 437 Ca 0.00 1.32 -0.13 0.00 0.00 0.00 0.00 51.96 53.16 1jkh s ALA 437 Cb 0.00 -3.55 0.24 0.00 0.00 0.00 0.00 23.12 19.81 1jkh s ALA 437 CO 0.00 -1.23 1.06 -2.00 0.00 0.00 0.00 175.76 173.59 1jkh s GLU 438 N -2.74 -0.31 -0.26 0.00 2.12 -1.25 -4.79 118.70 111.46 1jkh s GLU 438 Ca 0.67 0.63 -0.01 0.00 0.36 0.00 0.00 54.97 56.62 1jkh s GLU 438 Cb -0.40 -1.64 0.08 0.00 0.26 0.00 0.00 34.13 32.43 1jkh s GLU 438 CO 0.49 -3.26 0.06 0.99 -0.54 0.00 0.00 175.26 172.99 1jkh s THR 439 N -2.73 0.83 -0.21 -1.70 2.01 -1.26 -2.25 115.64 110.34 1jkh s THR 439 Ca 0.67 -1.09 -0.16 0.00 0.31 0.00 0.00 61.69 61.42 1jkh s THR 439 Cb -0.22 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 1jkh s THR 439 CO 0.61 -0.45 0.41 -0.36 -0.69 0.00 0.00 174.62 174.14 1jkh s PHE 440 N 1.67 3.36 -0.74 4.92 0.40 -0.22 -3.01 117.98 124.37 1jkh s PHE 440 Ca 0.04 0.62 -0.12 0.00 -0.60 0.00 0.00 56.93 56.87 1jkh s PHE 440 Cb -0.17 -2.55 0.19 0.00 0.51 0.00 0.00 43.02 41.00 1jkh s PHE 440 CO -0.17 -0.04 0.65 0.71 0.70 0.00 0.00 175.22 177.07 1jkh s TYR 441 N 1.42 3.62 0.55 0.36 1.51 -0.27 -0.77 117.35 123.77 1jkh s TYR 441 Ca 0.19 -2.01 -0.06 0.00 -1.01 0.00 0.00 57.07 54.18 1jkh s TYR 441 Cb -0.15 -3.70 -0.01 0.00 -0.11 0.00 0.00 41.96 37.99 1jkh s TYR 441 CO 0.08 -0.97 0.86 0.14 -1.11 0.00 0.00 175.55 174.55 1jkh s VAL 442 N 0.39 4.23 -0.06 0.71 -7.23 -0.89 -2.50 120.40 115.05 1jkh s VAL 442 Ca 0.15 0.13 -0.30 0.00 -1.81 0.00 0.00 61.98 60.15 1jkh s VAL 442 Cb -0.15 -3.65 0.11 0.00 0.56 0.00 0.00 36.38 33.25 1jkh s VAL 442 CO -0.06 -0.66 0.97 -0.62 -0.31 0.00 0.00 175.10 174.42 1jkh s ASP 443 N -4.22 -0.32 -0.05 4.85 -1.08 -0.65 -4.44 116.67 110.75 1jkh s ASP 443 Ca 0.51 0.05 -0.29 0.00 -0.52 0.00 0.00 52.55 52.30 1jkh s ASP 443 Cb -0.10 0.32 0.06 0.00 -1.46 0.00 0.00 42.92 41.74 1jkh s ASP 443 CO 0.45 -0.51 0.63 -0.83 0.52 0.00 0.00 175.17 175.44 1jkh s GLY 444 N -2.26 -0.52 0.08 2.66 0.00 -1.26 -1.11 107.32 104.91 1jkh s GLY 444 Ca 0.05 1.22 -0.13 0.00 0.00 0.00 0.00 44.72 45.86 1jkh s GLY 444 CO -0.07 0.88 0.31 0.00 0.00 0.00 0.00 173.10 174.22 1jkh s ALA 445 N -1.14 -0.65 0.01 3.20 0.00 0.19 -4.54 121.76 118.83 1jkh s ALA 445 Ca -0.11 -0.18 -0.16 0.00 0.00 0.00 0.00 51.96 51.51 1jkh s ALA 445 Cb -0.01 0.50 0.03 0.00 0.00 0.00 0.00 23.12 23.64 1jkh s ALA 445 CO 0.09 -0.52 0.35 0.00 0.00 0.00 0.00 175.76 175.68 1jkh s ALA 446 N -3.36 -0.86 0.29 0.00 0.00 -1.26 -0.65 121.76 115.92 1jkh s ALA 446 Ca 0.01 0.28 -0.26 0.00 0.00 0.00 0.00 51.96 51.99 1jkh s ALA 446 Cb 0.02 0.20 -0.09 0.00 0.00 0.00 0.00 23.12 23.24 1jkh s ALA 446 CO -0.08 -0.35 0.91 1.21 0.00 0.00 0.00 175.76 177.44 1jkh s ASN 447 N -1.68 7.38 0.00 0.00 3.84 -0.74 -4.80 114.94 118.94 1jkh s ASN 447 Ca -0.09 1.81 0.21 0.00 0.21 0.00 0.00 52.86 55.00 1jkh s ASN 447 Cb -0.03 -2.57 1.14 0.00 -0.55 0.00 0.00 41.25 39.25 1jkh s ASN 447 CO 0.01 0.01 1.75 0.54 -2.79 0.00 0.00 177.10 176.62 1jkh n ARG 448 N 0.83 1.16 0.00 0.43 1.74 -1.26 -2.18 116.66 117.38 1jkh n ARG 448 Ca 0.00 -0.24 0.00 0.00 -0.77 0.00 0.00 57.85 56.84 1jkh n ARG 448 Cb 0.49 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 1jkh n ARG 448 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1jkh n GLU 449 N -0.57 2.87 -0.00 5.56 1.02 -1.26 -4.83 120.64 123.42 1jkh n GLU 449 Ca 0.16 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.36 1jkh n GLU 449 Cb 0.13 -0.89 -0.09 0.00 -0.02 0.00 0.00 31.44 30.57 1jkh n GLU 449 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1jkh n THR 450 N -1.72 0.00 -1.72 2.62 -2.24 -1.25 -4.99 114.28 104.98 1jkh n THR 450 Ca 0.00 -0.26 -0.21 0.00 -2.27 0.00 0.00 64.05 61.31 1jkh n THR 450 Cb 0.39 0.51 -0.08 0.00 -2.10 0.00 0.00 70.33 69.05 1jkh n THR 450 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1jkh n LYS 451 N -1.70 -1.49 -3.17 -0.78 5.02 -0.93 -4.56 118.16 110.56 1jkh n LYS 451 Ca -0.01 1.21 -0.39 0.00 -2.02 0.00 0.00 58.31 57.10 1jkh n LYS 451 Cb 0.28 -5.64 -0.06 0.00 -0.02 0.00 0.00 35.03 29.60 1jkh n LYS 451 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jkh s LEU 452 N -4.94 4.22 0.14 -0.35 1.43 -1.26 -0.18 118.68 117.73 1jkh s LEU 452 Ca 0.00 0.88 0.05 0.00 -1.03 0.00 0.00 54.13 54.03 1jkh s LEU 452 Cb 0.00 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 1jkh s LEU 452 CO 0.00 -0.16 -0.11 -0.83 0.23 0.00 0.00 176.35 175.49 1jkh s GLY 453 N 0.96 1.06 0.02 -3.19 0.00 -0.24 -1.78 107.32 104.14 1jkh s GLY 453 Ca 0.29 -1.46 0.07 0.00 0.00 0.00 0.00 44.72 43.63 1jkh s GLY 453 CO 0.12 -1.55 -0.22 0.54 0.00 0.00 0.00 173.10 171.99 1jkh s LYS 454 N -3.57 1.60 -0.06 2.90 1.02 0.18 0.22 119.74 122.01 1jkh s LYS 454 Ca 0.15 -0.88 -0.03 0.00 0.02 0.00 0.00 55.97 55.24 1jkh s LYS 454 Cb 0.01 -1.64 0.04 0.00 -0.52 0.00 0.00 37.83 35.72 1jkh s LYS 454 CO 0.01 0.43 0.14 0.00 -0.92 0.00 0.00 175.35 175.01 1jkh s ALA 455 N -0.66 -0.22 0.00 5.17 0.00 0.50 -0.64 121.76 125.91 1jkh s ALA 455 Ca 0.08 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1jkh s ALA 455 Cb -0.09 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.57 1jkh s ALA 455 CO 0.01 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1jkh n GLY 456 N 4.31 2.98 3.75 0.00 0.00 -0.27 -2.11 105.19 113.85 1jkh n GLY 456 Ca -0.25 -0.75 -0.07 0.00 0.00 0.00 0.00 46.02 44.96 1jkh n GLY 456 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jkh s TYR 457 N -2.91 -0.24 -0.01 1.61 -0.85 -1.04 -1.64 117.35 112.26 1jkh s TYR 457 Ca 0.00 -0.13 -0.01 0.00 -0.52 0.00 0.00 57.07 56.41 1jkh s TYR 457 Cb 0.00 0.66 0.00 0.00 0.38 0.00 0.00 41.96 43.00 1jkh s TYR 457 CO 0.00 -1.05 0.03 0.08 -1.52 0.00 0.00 175.55 173.09 1jkh s VAL 458 N -3.72 0.00 0.22 -3.49 1.01 -1.04 -3.14 120.40 110.24 1jkh s VAL 458 Ca 0.09 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1jkh s VAL 458 Cb -0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 36.38 36.24 1jkh s VAL 458 CO 0.02 -0.00 0.05 0.42 0.00 0.00 0.00 175.10 175.59 1jkh s THR 459 N 0.01 0.61 -0.22 3.92 -4.23 -0.71 -1.11 115.64 113.90 1jkh s THR 459 Ca -0.00 -1.99 -0.24 0.00 -1.18 0.00 0.00 61.69 58.27 1jkh s THR 459 Cb -0.00 -2.40 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 1jkh s THR 459 CO 0.00 -0.22 0.82 0.54 -0.54 0.00 0.00 174.62 175.22 1jkh s ASN 460 N -3.25 6.86 0.00 3.99 4.22 -1.16 -2.67 114.94 122.92 1jkh s ASN 460 Ca 0.32 1.06 0.00 0.00 -2.14 0.00 0.00 52.86 52.10 1jkh s ASN 460 Cb 0.07 -2.44 0.00 0.00 1.28 0.00 0.00 41.25 40.16 1jkh s ASN 460 CO 0.09 -0.47 0.00 0.54 -2.04 0.00 0.00 177.10 175.22 1jkh n ARG 461 N 5.73 0.00 0.00 3.55 1.74 -1.26 -4.44 116.66 121.98 1jkh n ARG 461 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1jkh n ARG 461 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 1jkh n ARG 461 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jkh n GLY 462 N 0.00 0.71 3.56 -0.13 0.00 -1.09 -4.95 105.19 103.29 1jkh n GLY 462 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1jkh n GLY 462 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1jkh n ARG 463 N -0.89 1.05 -3.39 1.61 0.63 -1.26 -4.68 116.66 109.73 1jkh n ARG 463 Ca 0.00 0.38 -0.04 0.00 -0.92 0.00 0.00 57.85 57.27 1jkh n ARG 463 Cb 0.00 -1.87 0.02 0.00 0.45 0.00 0.00 32.46 31.06 1jkh n ARG 463 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1jkh n GLN 464 N 0.20 0.64 0.00 -0.14 10.64 -1.26 -1.74 117.38 125.71 1jkh n GLN 464 Ca 0.10 -1.37 0.00 0.00 -1.83 0.00 0.00 57.00 53.90 1jkh n GLN 464 Cb 0.40 1.81 0.00 0.00 -0.86 0.00 0.00 30.24 31.59 1jkh n GLN 464 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 1jkh n LYS 465 N -0.56 0.00 -4.09 2.61 4.81 -1.19 -5.01 118.16 114.74 1jkh n LYS 465 Ca -0.03 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.18 1jkh n LYS 465 Cb 0.48 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.47 1jkh n LYS 465 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1jkh s VAL 466 N 0.00 2.89 -0.22 3.15 1.01 -1.26 -2.50 120.40 123.47 1jkh s VAL 466 Ca 0.00 -1.69 -0.26 0.00 0.00 0.00 0.00 61.98 60.02 1jkh s VAL 466 Cb 0.00 -2.97 0.08 0.00 0.00 0.00 0.00 36.38 33.49 1jkh s VAL 466 CO 0.00 -0.15 0.77 -0.69 0.00 0.00 0.00 175.10 175.03 1jkh s VAL 467 N -2.46 0.00 -0.07 2.92 1.01 -0.90 -4.96 120.40 115.95 1jkh s VAL 467 Ca 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.26 1jkh s VAL 467 Cb -0.02 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 1jkh s VAL 467 CO 0.23 0.00 0.25 -0.89 0.00 0.00 0.00 175.10 174.68 1jkh s THR 468 N -0.02 5.32 0.15 3.92 2.01 -1.26 -0.37 115.64 125.38 1jkh s THR 468 Ca -0.02 0.46 0.08 0.00 0.31 0.00 0.00 61.69 62.52 1jkh s THR 468 Cb -0.04 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1jkh s THR 468 CO 0.02 0.60 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.62 1jkh s LEU 469 N -1.05 2.42 0.17 4.42 1.43 0.59 -4.97 118.68 121.70 1jkh s LEU 469 Ca 0.18 -0.84 0.08 0.00 -1.03 0.00 0.00 54.13 52.53 1jkh s LEU 469 Cb -0.14 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 1jkh s LEU 469 CO 0.08 -0.08 -0.18 0.42 0.23 0.00 0.00 176.35 176.83 1jkh s THR 470 N -2.08 1.80 -1.44 5.49 -4.23 -1.26 -1.08 115.64 112.84 1jkh s THR 470 Ca 0.13 -1.96 -0.01 0.00 -1.18 0.00 0.00 61.69 58.67 1jkh s THR 470 Cb -0.05 -1.87 0.01 0.00 1.34 0.00 0.00 72.50 71.92 1jkh s THR 470 CO 0.05 -0.36 0.36 -0.67 -0.54 0.00 0.00 174.62 173.46 1jkh n ASP 471 N 0.18 -0.19 -4.45 3.99 4.64 -0.82 -4.88 116.55 115.03 1jkh n ASP 471 Ca -0.12 -1.05 -0.31 0.00 -1.38 0.00 0.00 54.79 51.93 1jkh n ASP 471 Cb 0.58 -2.81 -0.07 0.00 -1.04 0.00 0.00 41.12 37.78 1jkh n ASP 471 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 1jkh s THR 472 N -4.01 0.80 0.42 5.18 -1.32 0.74 -5.04 115.64 112.41 1jkh s THR 472 Ca 0.03 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.54 1jkh s THR 472 Cb -0.01 -2.14 -0.03 0.00 -1.51 0.00 0.00 72.50 68.81 1jkh s THR 472 CO 0.91 0.00 0.10 0.42 -2.21 0.00 0.00 174.62 173.83 1jkh s THR 473 N -3.02 0.78 0.10 5.08 -4.23 -1.26 -4.61 115.64 108.48 1jkh s THR 473 Ca 0.10 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.41 1jkh s THR 473 Cb 0.01 -2.36 -0.08 0.00 1.34 0.00 0.00 72.50 71.40 1jkh s THR 473 CO 0.07 0.00 1.67 0.78 -0.54 0.00 0.00 174.62 176.60 1jkh h ASN 474 N 1.73 0.25 -0.06 3.99 -0.26 -1.91 -1.91 115.58 117.41 1jkh h ASN 474 Ca -0.38 -0.12 -0.07 0.00 -0.56 0.00 0.00 56.30 55.17 1jkh h ASN 474 Cb 1.28 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 38.46 1jkh h ASN 474 CO 0.62 0.30 -0.16 1.56 -1.06 0.00 0.00 177.43 178.68 1jkh h GLN 475 N 0.18 0.41 -0.27 0.81 4.20 -1.96 -0.89 115.11 117.58 1jkh h GLN 475 Ca 0.07 -0.12 -0.18 0.00 0.06 0.00 0.00 58.65 58.48 1jkh h GLN 475 Cb 0.11 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 1jkh h GLN 475 CO -0.01 0.56 -0.53 0.87 -0.67 0.00 0.00 178.83 179.05 1jkh h LYS 476 N 0.37 0.80 -0.22 1.46 1.57 -1.91 -2.82 116.57 115.82 1jkh h LYS 476 Ca 0.07 -0.50 -0.12 0.00 -1.87 0.00 0.00 60.65 58.23 1jkh h LYS 476 Cb 0.51 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1jkh h LYS 476 CO 0.03 1.13 -0.34 1.79 -0.57 0.00 0.00 179.45 181.48 1jkh h THR 477 N 0.62 1.32 -0.94 -0.16 1.35 -1.16 -1.47 112.91 112.46 1jkh h THR 477 Ca 0.02 -1.55 0.07 0.00 -0.55 0.00 0.00 66.41 64.40 1jkh h THR 477 Cb 1.12 1.79 -0.06 0.00 -1.73 0.00 0.00 68.15 69.26 1jkh h THR 477 CO 0.11 0.48 0.61 -0.33 -0.25 0.00 0.00 175.52 176.15 1jkh h GLU 478 N 0.32 1.03 -0.01 4.72 4.39 -1.21 0.35 114.58 124.16 1jkh h GLU 478 Ca 0.02 -0.06 -0.21 0.00 0.34 0.00 0.00 59.36 59.45 1jkh h GLU 478 Cb 0.93 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1jkh h GLU 478 CO 0.08 0.68 -0.88 -0.07 -1.16 0.00 0.00 179.01 177.66 1jkh h LEU 479 N 1.06 0.41 -0.16 1.33 3.38 -1.45 -3.12 115.31 116.75 1jkh h LEU 479 Ca 0.41 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1jkh h LEU 479 Cb 0.24 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1jkh h LEU 479 CO -0.17 1.10 0.10 -0.61 0.09 0.00 0.00 178.44 178.96 1jkh h GLN 480 N 0.18 0.21 -0.68 1.13 5.75 -0.30 -2.15 115.11 119.26 1jkh h GLN 480 Ca -0.06 -0.02 0.14 0.00 -0.15 0.00 0.00 58.65 58.57 1jkh h GLN 480 Cb 1.50 -0.05 -0.11 0.00 1.07 0.00 0.00 27.48 29.90 1jkh h GLN 480 CO 0.14 0.16 0.09 0.00 -2.65 0.00 0.00 178.83 176.58 1jkh h ALA 481 N 1.04 0.79 -0.14 3.38 0.00 -0.92 0.61 119.26 124.03 1jkh h ALA 481 Ca 0.06 0.18 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1jkh h ALA 481 Cb -0.00 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1jkh h ALA 481 CO -0.01 -0.36 -0.26 0.82 0.00 0.00 0.00 179.25 179.43 1jkh h ILE 482 N 0.20 1.24 0.26 0.00 2.04 -1.42 -2.75 117.51 117.08 1jkh h ILE 482 Ca 0.37 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 1jkh h ILE 482 Cb 0.62 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1jkh h ILE 482 CO -0.52 0.35 -0.12 0.22 0.00 0.00 0.00 178.15 178.08 1jkh h TYR 483 N 0.22 -0.32 -0.62 1.37 3.20 -0.25 -2.43 116.97 118.14 1jkh h TYR 483 Ca 0.03 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.98 1jkh h TYR 483 Cb 0.59 0.11 -0.11 0.00 1.54 0.00 0.00 36.73 38.86 1jkh h TYR 483 CO 0.01 -0.11 -0.47 -0.07 -1.64 0.00 0.00 178.16 175.89 1jkh h LEU 484 N -0.48 -1.62 -0.87 2.82 3.38 -1.24 0.11 115.31 117.41 1jkh h LEU 484 Ca -0.04 0.26 0.20 0.00 0.09 0.00 0.00 57.88 58.39 1jkh h LEU 484 Cb 0.36 0.73 -0.12 0.00 0.09 0.00 0.00 40.66 41.72 1jkh h LEU 484 CO 0.06 -0.33 0.37 0.00 0.09 0.00 0.00 178.44 178.63 1jkh h ALA 485 N 0.55 1.35 0.00 1.53 0.00 -1.39 0.37 119.26 121.68 1jkh h ALA 485 Ca 0.17 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 1jkh h ALA 485 Cb 0.55 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1jkh h ALA 485 CO -0.72 -0.30 -0.17 -0.07 0.00 0.00 0.00 179.25 177.99 1jkh h LEU 486 N 0.42 0.00 0.00 0.00 3.38 -0.33 -2.90 115.31 115.88 1jkh h LEU 486 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.49 1jkh h LEU 486 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1jkh h LEU 486 CO -0.50 0.17 -0.10 1.56 0.09 0.00 0.00 178.44 179.66 1jkh h GLN 487 N 0.00 0.00 -1.22 1.13 4.20 0.85 -3.35 115.11 116.72 1jkh h GLN 487 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jkh h GLN 487 Cb 0.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1jkh h GLN 487 CO 0.02 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 177.93 1jkh n ASP 488 N -4.17 1.64 -4.29 1.46 10.43 0.70 -4.81 116.55 117.51 1jkh n ASP 488 Ca -0.01 -1.27 -0.16 0.00 2.57 0.00 0.00 54.79 55.92 1jkh n ASP 488 Cb 0.05 -0.32 -0.10 0.00 1.84 0.00 0.00 41.12 42.60 1jkh n ASP 488 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1jkh s SER 489 N 0.73 1.91 0.74 -2.24 1.04 -1.10 -4.97 113.70 109.81 1jkh s SER 489 Ca 0.00 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1jkh s SER 489 Cb 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1jkh s SER 489 CO 0.00 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1jkh n GLY 490 N -0.31 -1.46 0.00 7.32 0.00 -1.26 -4.94 105.19 104.54 1jkh n GLY 490 Ca -0.08 -1.59 0.12 0.00 0.00 0.00 0.00 46.02 44.48 1jkh n GLY 490 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jkh n LEU 491 N 0.00 0.00 -3.75 0.99 4.32 -1.26 -4.59 117.00 112.72 1jkh n LEU 491 Ca 0.00 0.12 -0.21 0.00 -0.02 0.00 0.00 56.01 55.90 1jkh n LEU 491 Cb 0.00 -0.12 -0.18 0.00 -1.62 0.00 0.00 43.42 41.50 1jkh n LEU 491 CO 0.00 -0.03 -0.37 -1.61 -1.22 0.00 0.00 177.39 174.16 1jkh s GLU 492 N -2.25 0.37 0.05 3.23 2.02 -1.26 0.10 118.70 120.97 1jkh s GLU 492 Ca 0.31 0.19 0.02 0.00 0.02 0.00 0.00 54.97 55.51 1jkh s GLU 492 Cb 0.17 -0.78 -0.03 0.00 0.10 0.00 0.00 34.13 33.59 1jkh s GLU 492 CO 0.32 -0.29 -0.07 0.08 0.02 0.00 0.00 175.26 175.32 1jkh s VAL 493 N 1.93 0.53 -0.11 2.63 1.01 0.02 -3.89 120.40 122.52 1jkh s VAL 493 Ca 0.03 -1.22 0.03 0.00 0.00 0.00 0.00 61.98 60.83 1jkh s VAL 493 Cb -0.12 -0.77 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 1jkh s VAL 493 CO -0.04 -0.48 -0.22 0.20 0.00 0.00 0.00 175.10 174.56 1jkh s ASN 494 N -1.83 3.29 -0.05 3.32 0.01 -0.95 -1.67 114.94 117.05 1jkh s ASN 494 Ca -0.07 -0.51 0.03 0.00 -0.71 0.00 0.00 52.86 51.60 1jkh s ASN 494 Cb -0.07 -1.45 0.01 0.00 0.41 0.00 0.00 41.25 40.14 1jkh s ASN 494 CO -0.01 0.16 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.98 1jkh s ILE 495 N 0.35 1.20 -0.20 0.60 1.01 -0.10 -1.05 121.20 123.01 1jkh s ILE 495 Ca -0.17 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 59.94 1jkh s ILE 495 Cb -0.18 -1.07 0.03 0.00 0.01 0.00 0.00 42.46 41.26 1jkh s ILE 495 CO 0.08 0.36 -0.18 0.68 0.00 0.00 0.00 174.94 175.89 1jkh s VAL 496 N 0.38 2.11 0.35 2.92 -7.23 0.05 0.82 120.40 119.80 1jkh s VAL 496 Ca -0.09 -1.11 0.09 0.00 -1.81 0.00 0.00 61.98 59.05 1jkh s VAL 496 Cb -0.13 -1.97 -0.06 0.00 0.56 0.00 0.00 36.38 34.78 1jkh s VAL 496 CO 0.03 0.40 0.03 0.28 -0.31 0.00 0.00 175.10 175.52 1jkh s THR 497 N 1.25 2.54 -0.75 5.32 -1.32 0.48 -2.09 115.64 121.06 1jkh s THR 497 Ca 0.02 -1.95 0.07 0.00 -1.21 0.00 0.00 61.69 58.62 1jkh s THR 497 Cb -0.15 -2.83 0.11 0.00 -1.51 0.00 0.00 72.50 68.12 1jkh s THR 497 CO -0.11 -0.16 0.90 -0.90 -2.21 0.00 0.00 174.62 172.14 1jkh n ASP 498 N -0.98 1.99 -4.57 8.08 5.68 -1.26 -1.54 116.55 123.95 1jkh n ASP 498 Ca -0.04 -1.58 -0.42 0.00 -0.50 0.00 0.00 54.79 52.25 1jkh n ASP 498 Cb 0.63 -0.06 -0.07 0.00 -1.14 0.00 0.00 41.12 40.48 1jkh n ASP 498 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1jkh s SER 499 N -0.75 6.42 0.25 -1.12 0.15 -1.26 -4.36 113.70 113.03 1jkh s SER 499 Ca 0.11 0.12 -0.01 0.00 0.70 0.00 0.00 55.95 56.86 1jkh s SER 499 Cb 0.07 -2.33 0.30 0.00 -1.71 0.00 0.00 66.02 62.35 1jkh s SER 499 CO 0.09 -0.61 1.69 1.56 1.20 0.00 0.00 173.24 177.17 1jkh h GLN 500 N 8.49 0.66 0.06 5.44 4.20 -1.95 -1.72 115.11 130.30 1jkh h GLN 500 Ca -0.26 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.20 1jkh h GLN 500 Cb 1.11 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.84 1jkh h GLN 500 CO 0.84 0.81 -0.07 -0.92 -0.67 0.00 0.00 178.83 178.82 1jkh h TYR 501 N 0.59 -0.20 -0.63 2.96 3.20 -2.00 -1.03 116.97 119.86 1jkh h TYR 501 Ca 0.09 0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.06 1jkh h TYR 501 Cb 0.65 0.08 -0.11 0.00 1.54 0.00 0.00 36.73 38.89 1jkh h TYR 501 CO 0.03 -0.09 -0.38 0.00 -1.64 0.00 0.00 178.16 176.07 1jkh h ALA 502 N -1.60 -0.15 -0.07 1.82 0.00 -1.90 -2.37 119.26 114.99 1jkh h ALA 502 Ca -0.01 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1jkh h ALA 502 Cb 0.12 0.88 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1jkh h ALA 502 CO -0.01 -0.74 -0.07 1.25 0.00 0.00 0.00 179.25 179.68 1jkh h LEU 503 N -0.17 -0.23 -1.00 0.00 5.85 -1.20 -1.85 115.31 116.70 1jkh h LEU 503 Ca 0.22 0.03 0.22 0.00 0.84 0.00 0.00 57.88 59.19 1jkh h LEU 503 Cb 0.56 0.10 -0.12 0.00 0.37 0.00 0.00 40.66 41.57 1jkh h LEU 503 CO -0.71 -0.04 0.59 1.23 -0.34 0.00 0.00 178.44 179.17 1jkh h GLY 504 N -0.03 1.85 0.99 3.75 0.00 -0.78 0.61 103.07 109.45 1jkh h GLY 504 Ca 0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 1jkh h GLY 504 CO -0.08 -0.17 0.24 -2.22 0.00 0.00 0.00 176.54 174.31 1jkh h ILE 505 N 0.65 1.22 0.11 2.60 2.04 -1.00 -2.70 117.51 120.44 1jkh h ILE 505 Ca 0.61 -0.69 -0.28 0.00 1.00 0.00 0.00 64.86 65.51 1jkh h ILE 505 Cb 1.08 0.59 0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1jkh h ILE 505 CO -0.44 0.27 -1.20 0.40 0.00 0.00 0.00 178.15 177.18 1jkh h ILE 506 N 0.80 1.39 -0.97 -0.67 2.04 -0.34 -3.22 117.51 116.53 1jkh h ILE 506 Ca 0.19 -2.70 0.13 0.00 1.00 0.00 0.00 64.86 63.48 1jkh h ILE 506 Cb 0.19 2.76 -0.09 0.00 -0.74 0.00 0.00 36.82 38.94 1jkh h ILE 506 CO -0.02 0.80 0.60 -0.61 0.00 0.00 0.00 178.15 178.92 1jkh h GLN 507 N 0.18 0.90 -0.06 2.37 5.75 0.22 0.23 115.11 124.70 1jkh h GLN 507 Ca -0.15 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.30 1jkh h GLN 507 Cb 1.88 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 30.23 1jkh h GLN 507 CO 0.21 0.59 0.00 0.00 -2.65 0.00 0.00 178.83 176.99 1jkh n ALA 508 N -2.35 1.98 -3.87 3.38 0.00 -1.03 -4.89 120.51 113.73 1jkh n ALA 508 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.33 1jkh n ALA 508 Cb 0.37 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.83 1jkh n ALA 508 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jkh n GLN 509 N -0.42 -0.57 -2.51 0.00 6.02 0.81 -4.91 117.38 115.80 1jkh n GLN 509 Ca 0.00 -0.03 -0.36 0.00 -0.01 0.00 0.00 57.00 56.60 1jkh n GLN 509 Cb 0.01 -1.33 -0.04 0.00 1.02 0.00 0.00 30.24 29.91 1jkh n GLN 509 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1jkh s PRO 510 N -6.23 4.03 0.00 -1.09 0.04 -1.26 -4.83 135.00 125.66 1jkh s PRO 510 Ca 0.28 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1jkh s PRO 510 Cb -0.15 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 31.96 1jkh s PRO 510 CO 0.64 -0.26 0.88 -0.40 0.04 0.00 0.00 177.00 177.90 1jkh n ASP 511 N -0.32 1.73 -3.59 6.66 5.68 0.18 -4.89 116.55 121.99 1jkh n ASP 511 Ca 0.06 -1.76 -0.15 0.00 -0.50 0.00 0.00 54.79 52.44 1jkh n ASP 511 Cb 0.50 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.41 1jkh n ASP 511 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jkh s GLN 512 N -0.76 0.91 0.21 0.11 -2.07 -1.21 -4.95 119.66 111.88 1jkh s GLN 512 Ca 0.00 0.75 -0.23 0.00 -1.82 0.00 0.00 55.36 54.07 1jkh s GLN 512 Cb 0.00 0.44 0.05 0.00 -1.09 0.00 0.00 33.01 32.40 1jkh s GLN 512 CO 0.00 -0.17 0.74 0.45 -1.32 0.00 0.00 175.29 174.99 1jkh s SER 513 N -0.13 -0.33 0.00 12.60 0.15 -1.26 -2.44 113.70 122.29 1jkh s SER 513 Ca -0.04 -0.38 0.19 0.00 0.70 0.00 0.00 55.95 56.43 1jkh s SER 513 Cb -0.03 0.63 0.26 0.00 -1.71 0.00 0.00 66.02 65.16 1jkh s SER 513 CO 0.04 -1.13 1.21 -0.62 1.20 0.00 0.00 173.24 173.94 1jkh n GLU 514 N -0.43 2.01 -3.31 5.44 -0.58 -1.20 -4.87 120.64 117.70 1jkh n GLU 514 Ca -0.08 -1.88 -0.38 0.00 -0.42 0.00 0.00 57.16 54.40 1jkh n GLU 514 Cb 0.61 -1.40 -0.06 0.00 -0.57 0.00 0.00 31.44 30.02 1jkh n GLU 514 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1jkh s SER 515 N -1.47 6.71 0.09 1.62 0.15 -1.26 -4.98 113.70 114.55 1jkh s SER 515 Ca 0.28 0.85 -0.23 0.00 0.70 0.00 0.00 55.95 57.54 1jkh s SER 515 Cb 0.18 -2.29 -0.15 0.00 -1.71 0.00 0.00 66.02 62.05 1jkh s SER 515 CO 0.25 0.02 1.73 -0.08 1.20 0.00 0.00 173.24 176.36 1jkh h GLU 516 N 6.59 -0.04 0.07 5.44 4.81 -1.99 -1.57 114.58 127.88 1jkh h GLU 516 Ca -0.42 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.84 1jkh h GLU 516 Cb 1.18 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.52 1jkh h GLU 516 CO 0.75 -0.03 -0.38 1.25 -0.73 0.00 0.00 179.01 179.87 1jkh h LEU 517 N -0.04 -1.13 -0.70 1.64 6.46 -1.99 -0.32 115.31 119.22 1jkh h LEU 517 Ca -0.00 0.13 0.13 0.00 -0.12 0.00 0.00 57.88 58.02 1jkh h LEU 517 Cb 0.04 0.44 -0.09 0.00 -0.73 0.00 0.00 40.66 40.31 1jkh h LEU 517 CO 0.00 -0.45 0.23 0.58 -0.62 0.00 0.00 178.44 178.19 1jkh h VAL 518 N -0.58 0.64 -0.94 1.05 2.07 -1.94 -0.13 116.25 116.43 1jkh h VAL 518 Ca 0.04 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1jkh h VAL 518 Cb 0.63 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 1jkh h VAL 518 CO -0.26 0.07 0.59 0.78 0.02 0.00 0.00 177.57 178.77 1jkh h ASN 519 N 0.37 1.11 -0.06 0.57 2.35 -0.37 0.63 115.58 120.18 1jkh h ASN 519 Ca 0.38 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 56.07 1jkh h ASN 519 Cb 0.57 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 1jkh h ASN 519 CO -0.41 0.83 0.02 1.56 -1.65 0.00 0.00 177.43 177.78 1jkh h GLN 520 N 1.28 0.10 -0.55 0.81 4.20 0.58 -1.86 115.11 119.67 1jkh h GLN 520 Ca 0.34 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 59.07 1jkh h GLN 520 Cb -0.09 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.63 1jkh h GLN 520 CO -0.07 0.29 0.29 0.82 -0.67 0.00 0.00 178.83 179.49 1jkh h ILE 521 N -0.11 0.96 -0.62 2.54 2.04 -0.68 -0.55 117.51 121.09 1jkh h ILE 521 Ca 0.02 -0.19 0.13 0.00 1.00 0.00 0.00 64.86 65.82 1jkh h ILE 521 Cb 0.24 0.36 -0.11 0.00 -0.74 0.00 0.00 36.82 36.56 1jkh h ILE 521 CO 0.00 0.10 -0.04 0.40 0.00 0.00 0.00 178.15 178.61 1jkh h ILE 522 N 0.56 0.45 0.28 -0.67 2.04 -0.68 0.44 117.51 119.94 1jkh h ILE 522 Ca 0.24 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 66.07 1jkh h ILE 522 Cb 0.14 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1jkh h ILE 522 CO -0.16 0.01 -0.19 -0.33 0.00 0.00 0.00 178.15 177.48 1jkh h GLU 523 N 0.08 -0.45 -0.89 2.37 4.39 -0.40 -0.08 114.58 119.61 1jkh h GLU 523 Ca 0.32 0.03 0.11 0.00 0.34 0.00 0.00 59.36 60.15 1jkh h GLU 523 Cb 0.51 0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 29.18 1jkh h GLU 523 CO -0.56 -0.30 0.53 1.96 -1.16 0.00 0.00 179.01 179.47 1jkh h GLN 524 N -0.47 0.83 -0.73 2.33 1.08 -0.09 -1.35 115.11 116.72 1jkh h GLN 524 Ca -0.02 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 1jkh h GLN 524 Cb 0.40 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.61 1jkh h GLN 524 CO 0.02 0.55 0.36 -0.07 -0.95 0.00 0.00 178.83 178.74 1jkh h LEU 525 N 0.86 0.94 -1.03 1.46 3.38 0.52 -2.19 115.31 119.24 1jkh h LEU 525 Ca 0.43 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.23 1jkh h LEU 525 Cb 0.42 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1jkh h LEU 525 CO -0.26 0.80 0.14 0.40 0.09 0.00 0.00 178.44 179.61 1jkh h ILE 526 N 1.02 1.22 0.88 1.22 2.04 0.03 -3.24 117.51 120.68 1jkh h ILE 526 Ca 0.25 -0.81 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 1jkh h ILE 526 Cb 0.10 0.66 0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1jkh h ILE 526 CO -0.03 0.30 -0.42 0.11 0.00 0.00 0.00 178.15 178.11 1jkh h LYS 527 N 0.80 -1.14 -6.10 2.37 1.57 -0.78 -3.46 116.57 109.84 1jkh h LYS 527 Ca 0.18 0.08 -0.56 0.00 -1.87 0.00 0.00 60.65 58.47 1jkh h LYS 527 Cb 0.29 0.26 0.22 0.00 0.08 0.00 0.00 32.23 33.07 1jkh h LYS 527 CO -0.00 -0.76 -1.48 1.63 -0.57 0.00 0.00 179.45 178.28 1jkh n LYS 528 N -5.45 0.00 -0.02 3.15 4.76 -0.88 -4.92 118.16 114.81 1jkh n LYS 528 Ca -0.15 0.01 -0.16 0.00 -2.87 0.00 0.00 58.31 55.14 1jkh n LYS 528 Cb 0.46 -1.12 -0.14 0.00 -1.84 0.00 0.00 35.03 32.39 1jkh n LYS 528 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1jkh n GLU 529 N 1.70 0.70 -3.69 1.97 -0.58 0.28 -4.91 120.64 116.11 1jkh n GLU 529 Ca 0.02 0.26 -0.10 0.00 -0.42 0.00 0.00 57.16 56.92 1jkh n GLU 529 Cb 0.53 -1.72 -0.11 0.00 -0.57 0.00 0.00 31.44 29.57 1jkh n GLU 529 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1jkh s LYS 530 N -2.57 0.38 -0.02 3.49 1.02 -0.77 -5.01 119.74 116.26 1jkh s LYS 530 Ca -0.16 0.84 0.02 0.00 0.02 0.00 0.00 55.97 56.69 1jkh s LYS 530 Cb 0.07 0.04 0.00 0.00 -0.52 0.00 0.00 37.83 37.42 1jkh s LYS 530 CO 0.78 -0.18 -0.08 0.08 -0.92 0.00 0.00 175.35 175.04 1jkh s VAL 531 N 1.62 0.67 -0.10 3.17 1.01 -1.26 -0.80 120.40 124.71 1jkh s VAL 531 Ca -0.08 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 1jkh s VAL 531 Cb -0.09 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.70 1jkh s VAL 531 CO -0.13 0.22 -0.06 -0.47 0.00 0.00 0.00 175.10 174.66 1jkh s TYR 532 N 0.24 1.33 -0.13 5.22 5.04 -0.67 0.90 117.35 129.29 1jkh s TYR 532 Ca -0.03 -0.63 -0.03 0.00 -2.44 0.00 0.00 57.07 53.94 1jkh s TYR 532 Cb -0.08 -1.14 -0.03 0.00 0.35 0.00 0.00 41.96 41.05 1jkh s TYR 532 CO 0.00 -0.47 -0.02 -1.17 -1.34 0.00 0.00 175.55 172.55 1jkh s LEU 533 N 1.70 3.36 0.12 6.97 2.96 -1.26 -0.93 118.68 131.60 1jkh s LEU 533 Ca 0.04 -0.03 0.05 0.00 -0.22 0.00 0.00 54.13 53.97 1jkh s LEU 533 Cb -0.13 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 1jkh s LEU 533 CO -0.07 0.25 -0.13 0.00 -1.32 0.00 0.00 176.35 175.07 1jkh s ALA 534 N -0.11 1.42 0.01 5.97 0.00 0.24 -4.94 121.76 124.35 1jkh s ALA 534 Ca 0.03 -1.26 0.08 0.00 0.00 0.00 0.00 51.96 50.80 1jkh s ALA 534 Cb -0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 1jkh s ALA 534 CO 0.02 0.08 -0.23 -0.46 0.00 0.00 0.00 175.76 175.17 1jkh s TRP 535 N -2.16 2.05 0.01 0.00 -0.00 -1.26 -0.39 118.94 117.20 1jkh s TRP 535 Ca 0.08 -0.39 0.00 0.00 -0.00 0.00 0.00 56.10 55.79 1jkh s TRP 535 Cb -0.05 -1.28 -0.01 0.00 -0.00 0.00 0.00 33.47 32.14 1jkh s TRP 535 CO 0.02 0.03 -0.01 0.14 -0.00 0.00 0.00 176.95 177.13 1jkh s VAL 536 N -0.65 0.06 0.14 5.86 -7.23 -0.59 -4.95 120.40 113.04 1jkh s VAL 536 Ca 0.09 -0.32 -0.34 0.00 -1.81 0.00 0.00 61.98 59.61 1jkh s VAL 536 Cb -0.09 -0.11 -0.14 0.00 0.56 0.00 0.00 36.38 36.60 1jkh s VAL 536 CO 0.00 -0.16 1.61 -0.81 -0.31 0.00 0.00 175.10 175.43 1jkh n PRO 537 N 2.58 2.18 0.00 4.82 -0.04 -1.26 -4.15 135.00 139.12 1jkh n PRO 537 Ca -0.16 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 1jkh n PRO 537 Cb 0.58 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 1jkh n PRO 537 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jkh n ALA 538 N 3.74 0.00 -2.77 0.55 0.00 -1.26 -3.86 120.51 116.91 1jkh n ALA 538 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.18 1jkh n ALA 538 Cb 0.29 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.75 1jkh n ALA 538 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jkh n HIS 539 N 0.00 3.02 -4.44 0.00 8.25 -1.26 -4.89 115.22 115.90 1jkh n HIS 539 Ca 0.00 -2.85 -0.22 0.00 -0.26 0.00 0.00 57.72 54.39 1jkh n HIS 539 Cb 0.00 -1.64 -0.10 0.00 1.12 0.00 0.00 29.99 29.37 1jkh n HIS 539 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1jkh s LYS 540 N -1.07 1.59 0.00 -0.41 3.01 -1.25 -4.99 119.74 116.61 1jkh s LYS 540 Ca 0.35 -1.77 0.00 0.00 -1.01 0.00 0.00 55.97 53.54 1jkh s LYS 540 Cb 0.05 -1.41 0.00 0.00 -1.01 0.00 0.00 37.83 35.45 1jkh s LYS 540 CO 0.04 0.16 0.62 0.41 0.51 0.00 0.00 175.35 177.09 1jkh n GLY 541 N -0.59 1.26 3.56 -3.33 0.00 -1.26 -4.26 105.19 100.56 1jkh n GLY 541 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 1jkh n GLY 541 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jkh s ILE 542 N 0.23 3.52 0.02 -0.61 1.01 -1.26 -4.89 121.20 119.23 1jkh s ILE 542 Ca 0.00 0.34 -0.15 0.00 0.00 0.00 0.00 60.65 60.84 1jkh s ILE 542 Cb 0.00 -4.25 -0.08 0.00 0.01 0.00 0.00 42.46 38.14 1jkh s ILE 542 CO 0.00 -1.17 0.38 0.61 0.00 0.00 0.00 174.94 174.76 1jkh n GLY 543 N 5.53 -0.26 2.50 6.18 0.00 -1.26 -1.00 105.19 116.88 1jkh n GLY 543 Ca 0.15 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1jkh n GLY 543 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jkh n GLY 544 N 0.66 2.16 0.17 -0.02 0.00 -1.26 -4.63 105.19 102.27 1jkh n GLY 544 Ca 0.08 -0.35 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 1jkh n GLY 544 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1jkh h ASN 545 N 0.00 0.27 0.95 1.61 -1.24 -1.40 -2.51 115.58 113.26 1jkh h ASN 545 Ca 0.00 -0.15 -0.08 0.00 0.71 0.00 0.00 56.30 56.79 1jkh h ASN 545 Cb 0.00 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 38.96 1jkh h ASN 545 CO 0.00 0.79 -0.36 1.05 -1.29 0.00 0.00 177.43 177.61 1jkh h GLU 546 N 0.18 0.00 -0.05 6.67 4.11 -1.67 -2.12 114.58 121.70 1jkh h GLU 546 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1jkh h GLU 546 Cb 1.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1jkh h GLU 546 CO 0.09 0.36 -0.03 1.96 0.07 0.00 0.00 179.01 181.46 1jkh h GLN 547 N 0.00 0.11 0.00 1.06 1.08 -1.75 -2.79 115.11 112.82 1jkh h GLN 547 Ca -0.00 -0.05 -0.11 0.00 -1.45 0.00 0.00 58.65 57.03 1jkh h GLN 547 Cb 0.94 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.35 1jkh h GLN 547 CO 0.05 0.53 -0.52 -0.39 -0.95 0.00 0.00 178.83 177.55 1jkh h VAL 548 N -0.30 1.09 0.00 -0.54 -1.51 -1.51 -2.43 116.25 111.04 1jkh h VAL 548 Ca 0.01 -1.98 -0.02 0.00 -1.23 0.00 0.00 66.70 63.47 1jkh h VAL 548 Cb 0.50 2.17 -0.00 0.00 -2.13 0.00 0.00 31.29 31.82 1jkh h VAL 548 CO 0.01 0.51 -0.12 -0.78 -1.23 0.00 0.00 177.57 175.96 1jkh h ASP 549 N 0.00 0.00 0.03 4.19 1.82 -1.37 -1.18 116.42 119.91 1jkh h ASP 549 Ca -0.01 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.56 1jkh h ASP 549 Cb 1.12 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.14 1jkh h ASP 549 CO 0.07 0.12 -0.30 0.11 -1.61 0.00 0.00 179.24 177.62 1jkh h LYS 550 N 0.00 0.16 -0.29 0.28 1.57 -1.16 -3.36 116.57 113.78 1jkh h LYS 550 Ca -0.00 -0.21 -0.14 0.00 -1.87 0.00 0.00 60.65 58.43 1jkh h LYS 550 Cb 0.35 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1jkh h LYS 550 CO 0.01 1.00 -0.39 -0.07 -0.57 0.00 0.00 179.45 179.44 1jkh h LEU 551 N -0.59 0.71 -3.46 2.94 3.38 -1.30 -3.16 115.31 113.84 1jkh h LEU 551 Ca -0.05 -0.32 -0.30 0.00 0.09 0.00 0.00 57.88 57.31 1jkh h LEU 551 Cb 1.13 -0.20 -0.13 0.00 0.09 0.00 0.00 40.66 41.55 1jkh h LEU 551 CO 0.06 1.02 0.38 1.33 0.09 0.00 0.00 178.44 181.32 1jkh n VAL 552 N -4.04 2.72 -3.44 1.22 0.24 -0.48 -4.68 118.33 109.88 1jkh n VAL 552 Ca -0.02 -1.58 -0.23 0.00 -2.04 0.00 0.00 64.34 60.47 1jkh n VAL 552 Cb 0.52 -1.36 -0.11 0.00 -1.47 0.00 0.00 33.84 31.42 1jkh n VAL 552 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1jkh s SER 553 N 0.35 2.33 0.00 -1.34 0.01 -1.19 -4.54 113.70 109.32 1jkh s SER 553 Ca 0.29 -1.45 0.00 0.00 1.31 0.00 0.00 55.95 56.10 1jkh s SER 553 Cb 0.22 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1jkh s SER 553 CO -0.01 -0.35 0.00 0.00 0.41 0.00 0.00 173.24 173.29