#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1k s GLU 2 N 0.00 2.85 0.14 1.61 0.41 -1.26 -5.09 118.70 117.37 3h1k s GLU 2 Ca 0.00 -0.88 -0.28 0.00 -0.41 0.00 0.00 54.97 53.40 3h1k s GLU 2 Cb 0.00 -2.64 -0.07 0.00 -1.78 0.00 0.00 34.13 29.64 3h1k s GLU 2 CO 0.00 -0.34 0.88 -0.51 -0.49 0.00 0.00 175.26 174.81 3h1k s LEU 3 N -4.49 4.55 0.32 1.80 1.43 -1.26 -5.07 118.68 115.96 3h1k s LEU 3 Ca 0.52 1.74 0.03 0.00 -1.03 0.00 0.00 54.13 55.39 3h1k s LEU 3 Cb -0.10 -3.47 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 3h1k s LEU 3 CO 0.35 0.06 0.11 -1.83 0.23 0.00 0.00 176.35 175.27 3h1k s GLU 4 N -0.53 1.62 -0.19 1.70 -1.05 -1.26 -4.91 118.70 114.08 3h1k s GLU 4 Ca 0.42 -1.92 0.00 0.00 -0.15 0.00 0.00 54.97 53.32 3h1k s GLU 4 Cb -0.23 -0.43 0.05 0.00 -0.44 0.00 0.00 34.13 33.07 3h1k s GLU 4 CO 0.28 -0.35 -0.06 -1.17 0.95 0.00 0.00 175.26 174.91 3h1k s LEU 5 N -3.43 1.98 0.04 1.83 2.96 -1.26 -5.11 118.68 115.69 3h1k s LEU 5 Ca 0.34 -0.84 -0.30 0.00 -0.22 0.00 0.00 54.13 53.11 3h1k s LEU 5 Cb 0.06 -1.05 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 3h1k s LEU 5 CO 0.15 -0.19 0.97 -1.00 -1.32 0.00 0.00 176.35 174.97 3h1k s HIS 6 N 1.53 3.71 0.48 5.38 3.76 -1.26 -4.76 115.29 124.12 3h1k s HIS 6 Ca -0.01 1.74 -0.24 0.00 -0.15 0.00 0.00 55.06 56.39 3h1k s HIS 6 Cb -0.16 -3.10 -0.07 0.00 1.11 0.00 0.00 32.58 30.36 3h1k s HIS 6 CO -0.08 0.07 1.37 -1.25 -0.85 0.00 0.00 174.74 174.01 3h1k s PRO 7 N 0.65 3.54 1.19 8.40 0.04 -1.26 -5.01 135.00 142.55 3h1k s PRO 7 Ca 0.50 2.28 -0.20 0.00 0.04 0.00 0.00 61.00 63.63 3h1k s PRO 7 Cb -0.22 -2.52 0.29 0.00 0.04 0.00 0.00 34.50 32.09 3h1k s PRO 7 CO 0.29 -0.89 1.14 -1.25 0.04 0.00 0.00 177.00 176.33 3h1k s PRO 8 N -2.59 -1.17 -0.45 0.56 0.04 -1.26 -4.96 135.00 125.16 3h1k s PRO 8 Ca 0.64 -0.16 -0.03 0.00 0.04 0.00 0.00 61.00 61.49 3h1k s PRO 8 Cb -0.41 -1.61 0.12 0.00 0.04 0.00 0.00 34.50 32.64 3h1k s PRO 8 CO 0.51 -3.66 0.25 0.00 0.04 0.00 0.00 177.00 174.15 3h1k s ALA 9 N -3.11 3.25 0.32 8.56 0.00 -1.26 -4.82 121.76 124.70 3h1k s ALA 9 Ca 0.72 -2.70 -0.28 0.00 0.00 0.00 0.00 51.96 49.70 3h1k s ALA 9 Cb -0.08 -2.47 -0.09 0.00 0.00 0.00 0.00 23.12 20.48 3h1k s ALA 9 CO 0.56 -1.87 1.12 -0.06 0.00 0.00 0.00 175.76 175.51 3h1k s PHE 10 N 0.88 3.41 -1.35 0.00 0.40 -1.26 -4.93 117.98 115.13 3h1k s PHE 10 Ca 0.10 1.64 -0.17 0.00 -0.60 0.00 0.00 56.93 57.91 3h1k s PHE 10 Cb -0.22 -3.32 0.06 0.00 0.51 0.00 0.00 43.02 40.05 3h1k s PHE 10 CO -0.04 -0.80 1.91 -0.35 0.70 0.00 0.00 175.22 176.64 3h1k n PRO 11 N 0.83 3.08 -1.86 0.24 -0.04 -1.26 -4.98 135.00 131.01 3h1k n PRO 11 Ca 0.00 -3.05 -0.41 0.00 -0.04 0.00 0.00 63.50 60.00 3h1k n PRO 11 Cb 0.45 -3.42 -0.01 0.00 -0.04 0.00 0.00 33.50 30.48 3h1k n PRO 11 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3h1k s TRP 12 N 3.85 2.71 0.40 0.54 0.52 -1.26 -4.87 118.94 120.83 3h1k s TRP 12 Ca 0.52 1.15 0.21 0.00 0.02 0.00 0.00 56.10 57.99 3h1k s TRP 12 Cb 0.07 -3.96 1.20 0.00 -1.15 0.00 0.00 33.47 29.64 3h1k s TRP 12 CO 0.02 -2.87 1.69 0.66 0.02 0.00 0.00 176.95 176.47 3h1k h SER 13 N 3.44 0.40 -0.67 2.95 4.64 -1.93 0.25 113.55 122.62 3h1k h SER 13 Ca -0.50 0.13 -0.14 0.00 -0.47 0.00 0.00 61.79 60.82 3h1k h SER 13 Cb 1.23 0.08 -0.08 0.00 -0.31 0.00 0.00 62.40 63.32 3h1k h SER 13 CO 0.67 -0.06 0.17 0.00 -0.87 0.00 0.00 176.83 176.74 3h1k n HIS 14 N -4.76 2.30 0.48 4.77 -0.00 -1.24 -4.52 115.22 112.26 3h1k n HIS 14 Ca 0.31 -1.03 0.13 0.00 -0.00 0.00 0.00 57.72 57.12 3h1k n HIS 14 Cb 1.09 -0.62 0.34 0.00 -0.00 0.00 0.00 29.99 30.80 3h1k n HIS 14 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 3h1k h GLY 15 N 3.13 0.00 -3.00 -1.39 0.00 -0.72 -3.45 103.07 97.64 3h1k h GLY 15 Ca 0.17 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 47.02 3h1k h GLY 15 CO 0.65 0.00 0.30 -0.32 0.00 0.00 0.00 176.54 177.17 3h1k s GLY 16 N -3.79 2.71 0.61 4.60 0.00 -1.26 -4.94 107.32 105.24 3h1k s GLY 16 Ca 0.09 0.44 0.29 0.00 0.00 0.00 0.00 44.72 45.55 3h1k s GLY 16 CO 0.61 0.85 2.00 -0.56 0.00 0.00 0.00 173.10 176.00 3h1k h PRO 17 N 3.05 0.00 -0.01 2.90 0.13 -2.00 0.67 132.00 136.74 3h1k h PRO 17 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3h1k h PRO 17 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3h1k h PRO 17 CO 0.65 0.00 -0.10 1.28 -0.23 0.00 0.00 178.00 179.59 3h1k n LEU 18 N -3.59 1.72 -4.62 1.56 4.77 -1.26 -4.79 117.00 110.79 3h1k n LEU 18 Ca 0.03 -0.90 -0.40 0.00 -0.03 0.00 0.00 56.01 54.72 3h1k n LEU 18 Cb 0.45 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 3h1k n LEU 18 CO 0.25 0.33 0.23 -0.94 -1.33 0.00 0.00 177.39 175.92 3h1k s SER 19 N -1.23 6.43 1.00 -1.43 1.04 0.23 -4.97 113.70 114.77 3h1k s SER 19 Ca 0.12 0.52 -0.01 0.00 0.48 0.00 0.00 55.95 57.07 3h1k s SER 19 Cb 0.10 -2.27 0.01 0.00 0.10 0.00 0.00 66.02 63.95 3h1k s SER 19 CO 0.21 -0.26 0.04 0.00 0.98 0.00 0.00 173.24 174.21 3h1k n ALA 20 N 5.40 -0.06 -2.58 5.32 0.00 -1.26 -4.47 120.51 122.86 3h1k n ALA 20 Ca -0.05 -0.05 -0.38 0.00 0.00 0.00 0.00 53.44 52.96 3h1k n ALA 20 Cb 0.50 -0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 3h1k n ALA 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h1k s LEU 21 N 0.00 4.37 -1.15 0.00 1.43 -1.26 -3.67 118.68 118.40 3h1k s LEU 21 Ca 0.02 1.03 -0.22 0.00 -1.03 0.00 0.00 54.13 53.93 3h1k s LEU 21 Cb -0.00 -2.82 -0.05 0.00 0.03 0.00 0.00 46.19 43.35 3h1k s LEU 21 CO 0.02 0.08 1.88 -0.62 0.23 0.00 0.00 176.35 177.93 3h1k s ASP 22 N 0.03 5.44 0.56 2.29 2.15 -1.26 -4.76 116.67 121.12 3h1k s ASP 22 Ca 0.29 -1.61 0.40 0.00 0.43 0.00 0.00 52.55 52.06 3h1k s ASP 22 Cb -0.17 -2.58 1.56 0.00 -0.30 0.00 0.00 42.92 41.43 3h1k s ASP 22 CO 0.15 -2.61 1.69 0.45 -0.17 0.00 0.00 175.17 174.67 3h1k h HIS 23 N 9.63 0.00 -0.06 -5.34 3.86 -1.93 0.68 115.15 121.99 3h1k h HIS 23 Ca 0.23 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.45 3h1k h HIS 23 Cb 0.94 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.40 3h1k h HIS 23 CO 1.25 0.00 -0.00 0.77 0.86 0.00 0.00 177.93 180.81 3h1k h SER 24 N 0.00 -0.03 0.79 2.45 0.02 -1.91 -0.71 113.55 114.16 3h1k h SER 24 Ca 0.67 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.60 3h1k h SER 24 Cb 2.79 0.03 0.01 0.00 0.14 0.00 0.00 62.40 65.37 3h1k h SER 24 CO -0.01 -0.01 -0.38 -1.28 -1.14 0.00 0.00 176.83 174.02 3h1k h SER 25 N 0.02 -0.90 -0.97 3.07 0.87 -0.04 -2.94 113.55 112.67 3h1k h SER 25 Ca 0.03 0.02 0.19 0.00 -1.23 0.00 0.00 61.79 60.80 3h1k h SER 25 Cb 0.03 0.23 -0.18 0.00 -0.44 0.00 0.00 62.40 62.04 3h1k h SER 25 CO -0.05 -0.63 -0.25 0.58 -0.53 0.00 0.00 176.83 175.96 3h1k h VAL 26 N -1.09 0.03 -0.72 2.23 2.07 -1.19 1.01 116.25 118.60 3h1k h VAL 26 Ca -0.11 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.57 3h1k h VAL 26 Cb 0.82 0.03 -0.11 0.00 -1.52 0.00 0.00 31.29 30.51 3h1k h VAL 26 CO 0.18 0.00 0.13 -0.09 0.02 0.00 0.00 177.57 177.81 3h1k h ARG 27 N -0.00 0.22 0.66 1.57 2.43 -0.95 0.24 114.38 118.55 3h1k h ARG 27 Ca 0.46 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.58 3h1k h ARG 27 Cb 0.70 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.21 3h1k h ARG 27 CO -0.99 0.14 -0.32 0.00 -1.51 0.00 0.00 179.97 177.29 3h1k h ARG 28 N 0.22 -0.86 -0.80 0.20 3.08 0.10 -2.89 114.38 113.43 3h1k h ARG 28 Ca 0.40 0.06 0.31 0.00 0.07 0.00 0.00 59.98 60.82 3h1k h ARG 28 Cb 0.68 0.19 -0.15 0.00 0.08 0.00 0.00 29.97 30.78 3h1k h ARG 28 CO -0.53 -0.56 0.35 0.41 -1.07 0.00 0.00 179.97 178.57 3h1k n GLY 29 N -0.56 -0.70 0.21 0.04 0.00 0.43 0.27 105.19 104.87 3h1k n GLY 29 Ca -0.11 0.68 -0.10 0.00 0.00 0.00 0.00 46.02 46.48 3h1k n GLY 29 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3h1k h PHE 30 N 0.00 -0.43 -0.65 1.61 3.57 -0.36 -1.92 116.94 118.76 3h1k h PHE 30 Ca 0.64 0.02 0.04 0.00 3.53 0.00 0.00 57.97 62.20 3h1k h PHE 30 Cb 1.64 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 40.54 3h1k h PHE 30 CO -0.09 -0.24 0.39 1.96 -2.23 0.00 0.00 178.31 178.10 3h1k h GLN 31 N -0.24 0.72 -0.81 1.11 4.20 0.38 0.29 115.11 120.76 3h1k h GLN 31 Ca 0.07 -0.04 0.17 0.00 0.06 0.00 0.00 58.65 58.91 3h1k h GLN 31 Cb 0.34 -0.16 -0.06 0.00 0.30 0.00 0.00 27.48 27.90 3h1k h GLN 31 CO -0.21 0.48 0.54 0.28 -0.67 0.00 0.00 178.83 179.25 3h1k h VAL 32 N 0.74 0.76 0.01 -0.54 2.07 -0.71 0.88 116.25 119.46 3h1k h VAL 32 Ca 0.28 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 3h1k h VAL 32 Cb 0.09 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3h1k h VAL 32 CO -0.14 0.08 -0.01 0.22 0.02 0.00 0.00 177.57 177.74 3h1k h TYR 33 N 0.43 -0.02 -0.85 1.57 3.20 -0.46 -2.37 116.97 118.47 3h1k h TYR 33 Ca 0.41 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.38 3h1k h TYR 33 Cb 0.94 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 39.16 3h1k h TYR 33 CO -0.00 0.76 0.55 -0.22 -1.64 0.00 0.00 178.16 177.61 3h1k h LYS 34 N -0.90 0.76 -0.02 1.82 3.64 0.10 0.48 116.57 122.45 3h1k h LYS 34 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3h1k h LYS 34 Cb 0.79 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3h1k h LYS 34 CO 0.00 0.50 -0.10 1.04 -2.27 0.00 0.00 179.45 178.62 3h1k n GLN 35 N -4.52 1.54 0.10 1.90 6.02 0.29 -4.61 117.38 118.10 3h1k n GLN 35 Ca 0.15 -1.36 0.00 0.00 -0.01 0.00 0.00 57.00 55.78 3h1k n GLN 35 Cb 0.34 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.27 3h1k n GLN 35 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3h1k n VAL 36 N 0.69 0.42 0.05 5.09 0.31 -0.90 -4.92 118.33 119.06 3h1k n VAL 36 Ca 0.10 0.14 -0.08 0.00 -0.01 0.00 0.00 64.34 64.49 3h1k n VAL 36 Cb 0.42 -0.86 0.07 0.00 -0.91 0.00 0.00 33.84 32.57 3h1k n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h1k n SER 38 N -3.89 0.54 -0.03 0.00 3.41 0.16 0.16 113.62 113.97 3h1k n SER 38 Ca -0.03 -0.54 0.03 0.00 -0.26 0.00 0.00 58.87 58.07 3h1k n SER 38 Cb 0.64 -0.13 -0.12 0.00 -0.26 0.00 0.00 64.21 64.34 3h1k n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h1k n ALA 39 N 0.62 2.25 0.00 7.33 0.00 -1.18 -4.63 120.51 124.90 3h1k n ALA 39 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3h1k n ALA 39 Cb 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.19 3h1k n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h1k s HIS 41 N -0.11 2.98 0.33 0.00 3.76 0.12 -4.57 115.29 117.81 3h1k s HIS 41 Ca 0.00 -0.48 -0.05 0.00 -0.15 0.00 0.00 55.06 54.38 3h1k s HIS 41 Cb 0.00 -1.99 -0.05 0.00 1.11 0.00 0.00 32.58 31.65 3h1k s HIS 41 CO 0.00 -0.19 0.60 -1.54 -0.85 0.00 0.00 174.74 172.77 3h1k s SER 42 N 0.67 6.41 -0.35 1.40 1.04 -1.26 -4.04 113.70 117.57 3h1k s SER 42 Ca -0.03 0.74 0.14 0.00 0.48 0.00 0.00 55.95 57.29 3h1k s SER 42 Cb -0.15 -2.16 0.40 0.00 0.10 0.00 0.00 66.02 64.22 3h1k s SER 42 CO 0.02 -0.28 0.91 0.80 0.98 0.00 0.00 173.24 175.67 3h1k n MET 43 N -1.26 1.07 -0.24 4.02 0.00 -1.26 0.42 117.12 119.87 3h1k n MET 43 Ca -0.01 -3.11 0.31 0.00 0.00 0.00 0.00 57.70 54.89 3h1k n MET 43 Cb 0.54 -1.31 0.61 0.00 0.00 0.00 0.00 33.22 33.06 3h1k n MET 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 3h1k h ASP 44 N 2.92 0.00 -0.26 6.12 3.32 -1.94 -1.79 116.42 124.79 3h1k h ASP 44 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3h1k h ASP 44 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 3h1k h ASP 44 CO 0.43 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.73 3h1k n TYR 45 N -3.58 0.34 -4.28 4.55 4.02 -1.26 -4.78 117.16 112.16 3h1k n TYR 45 Ca 0.23 -0.17 -0.24 0.00 -0.01 0.00 0.00 57.90 57.71 3h1k n TYR 45 Cb 1.36 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 40.60 3h1k n TYR 45 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3h1k s VAL 46 N -1.66 3.46 0.02 -0.72 1.01 -0.67 -5.06 120.40 116.77 3h1k s VAL 46 Ca 0.33 -1.79 -0.11 0.00 0.00 0.00 0.00 61.98 60.41 3h1k s VAL 46 Cb 0.18 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.76 3h1k s VAL 46 CO 0.26 -0.29 0.23 0.00 0.00 0.00 0.00 175.10 175.30 3h1k s ALA 47 N -2.13 -0.51 0.45 5.51 0.00 -1.26 -1.78 121.76 122.04 3h1k s ALA 47 Ca 0.30 -0.06 0.21 0.00 0.00 0.00 0.00 51.96 52.41 3h1k s ALA 47 Cb -0.07 0.20 1.18 0.00 0.00 0.00 0.00 23.12 24.43 3h1k s ALA 47 CO 0.19 -0.31 1.87 0.74 0.00 0.00 0.00 175.76 178.24 3h1k h PHE 48 N 3.68 0.41 -0.73 0.00 -1.00 -1.57 0.11 116.94 117.84 3h1k h PHE 48 Ca -0.31 0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.51 3h1k h PHE 48 Cb 1.19 -0.12 -0.04 0.00 3.61 0.00 0.00 35.95 40.59 3h1k h PHE 48 CO 0.52 0.10 0.48 0.07 -1.61 0.00 0.00 178.31 177.87 3h1k h ARG 49 N 0.30 0.89 -0.86 1.51 0.11 -1.57 -1.78 114.38 112.98 3h1k h ARG 49 Ca 0.45 -0.05 0.16 0.00 0.10 0.00 0.00 59.98 60.64 3h1k h ARG 49 Cb 1.27 -0.20 -0.06 0.00 1.11 0.00 0.00 29.97 32.09 3h1k h ARG 49 CO -0.14 0.59 0.56 -0.91 0.10 0.00 0.00 179.97 180.17 3h1k h ASN 50 N 0.91 0.54 -0.45 0.08 2.35 -1.06 -2.00 115.58 115.94 3h1k h ASN 50 Ca 0.28 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 56.05 3h1k h ASN 50 Cb 0.00 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3h1k h ASN 50 CO -0.07 0.26 0.22 -0.07 -1.65 0.00 0.00 177.43 176.11 3h1k h LEU 51 N 0.56 0.62 -9.65 1.61 3.38 -1.41 -3.41 115.31 107.01 3h1k h LEU 51 Ca 0.43 -0.06 -0.55 0.00 0.09 0.00 0.00 57.88 57.79 3h1k h LEU 51 Cb 0.85 -0.16 0.20 0.00 0.09 0.00 0.00 40.66 41.64 3h1k h LEU 51 CO -0.18 0.55 -0.52 -0.38 0.09 0.00 0.00 178.44 177.99 3h1k n ILE 52 N -4.37 1.15 -0.21 1.22 5.41 -0.75 -0.45 119.36 121.35 3h1k n ILE 52 Ca 0.04 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.45 3h1k n ILE 52 Cb 0.14 -0.66 0.00 0.00 -0.71 0.00 0.00 39.64 38.41 3h1k n ILE 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3h1k n GLY 53 N 1.70 0.00 0.59 7.39 0.00 -1.11 -4.47 105.19 109.29 3h1k n GLY 53 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 3h1k n GLY 53 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h1k n VAL 54 N -1.06 1.20 -0.46 1.61 0.31 -0.27 -4.94 118.33 114.73 3h1k n VAL 54 Ca 0.00 0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 3h1k n VAL 54 Cb 0.00 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.07 3h1k n VAL 54 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3h1k n THR 55 N -3.78 0.00 -4.07 2.52 -2.24 0.40 -4.88 114.28 102.23 3h1k n THR 55 Ca -0.06 -0.16 -0.10 0.00 -2.27 0.00 0.00 64.05 61.46 3h1k n THR 55 Cb 0.22 1.46 -0.08 0.00 -2.10 0.00 0.00 70.33 69.82 3h1k n THR 55 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3h1k s HIS 56 N -0.11 0.69 0.58 4.78 4.02 -1.00 -4.80 115.29 119.45 3h1k s HIS 56 Ca 0.00 -1.01 -0.10 0.00 1.02 0.00 0.00 55.06 54.98 3h1k s HIS 56 Cb 0.00 -0.19 -0.04 0.00 -1.02 0.00 0.00 32.58 31.33 3h1k s HIS 56 CO 0.00 -0.76 0.96 0.99 1.02 0.00 0.00 174.74 176.96 3h1k s THR 57 N -4.06 4.76 0.47 1.30 2.01 -1.26 -2.75 115.64 116.12 3h1k s THR 57 Ca 0.27 0.71 0.32 0.00 0.31 0.00 0.00 61.69 63.30 3h1k s THR 57 Cb 0.04 -3.87 0.35 0.00 0.01 0.00 0.00 72.50 69.03 3h1k s THR 57 CO 0.07 -1.06 2.17 -0.08 -0.69 0.00 0.00 174.62 175.03 3h1k h GLU 58 N -0.14 0.00 0.24 4.92 4.81 -1.97 -0.95 114.58 121.49 3h1k h GLU 58 Ca -0.45 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 3h1k h GLU 58 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3h1k h GLU 58 CO 0.62 0.06 -0.11 0.00 -0.73 0.00 0.00 179.01 178.84 3h1k h ALA 59 N 1.94 -0.36 -0.88 2.92 0.00 -2.00 -2.90 119.26 117.98 3h1k h ALA 59 Ca -0.00 -0.07 0.19 0.00 0.00 0.00 0.00 54.91 55.03 3h1k h ALA 59 Cb 0.21 0.12 -0.17 0.00 0.00 0.00 0.00 17.79 17.96 3h1k h ALA 59 CO 0.01 -0.33 -0.16 0.93 0.00 0.00 0.00 179.25 179.69 3h1k h GLU 60 N -0.96 0.01 0.03 0.00 5.08 -1.80 -0.57 114.58 116.38 3h1k h GLU 60 Ca -0.03 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3h1k h GLU 60 Cb 0.25 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3h1k h GLU 60 CO 0.05 0.01 -0.07 0.00 -1.00 0.00 0.00 179.01 178.01 3h1k h ALA 61 N 1.87 -0.09 0.04 3.43 0.00 -1.29 0.92 119.26 124.13 3h1k h ALA 61 Ca 0.44 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.36 3h1k h ALA 61 Cb 0.73 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3h1k h ALA 61 CO -0.88 -0.57 -0.28 -0.22 0.00 0.00 0.00 179.25 177.31 3h1k h LYS 62 N -0.13 -0.36 -0.41 0.00 3.64 -0.91 0.75 116.57 119.15 3h1k h LYS 62 Ca 0.02 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 3h1k h LYS 62 Cb 0.15 0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 31.95 3h1k h LYS 62 CO -0.05 -0.24 -0.30 0.00 -2.27 0.00 0.00 179.45 176.59 3h1k h ALA 63 N -1.00 -0.12 -1.00 5.00 0.00 -1.29 0.82 119.26 121.67 3h1k h ALA 63 Ca 0.00 0.12 0.21 0.00 0.00 0.00 0.00 54.91 55.24 3h1k h ALA 63 Cb 0.38 0.67 -0.11 0.00 0.00 0.00 0.00 17.79 18.73 3h1k h ALA 63 CO -0.16 -0.69 0.61 1.25 0.00 0.00 0.00 179.25 180.25 3h1k h LEU 64 N -0.23 0.75 -0.17 0.00 6.46 0.17 0.32 115.31 122.61 3h1k h LEU 64 Ca 0.18 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 58.05 3h1k h LEU 64 Cb 0.52 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 3h1k h LEU 64 CO -0.54 0.21 0.00 0.00 -0.62 0.00 0.00 178.44 177.49 3h1k h ALA 65 N 1.68 1.00 0.00 1.25 0.00 0.28 -3.12 119.26 120.35 3h1k h ALA 65 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.51 3h1k h ALA 65 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3h1k h ALA 65 CO -0.41 0.00 -0.30 0.93 0.00 0.00 0.00 179.25 179.46 3h1k h GLU 66 N 0.00 0.00 0.00 0.00 5.08 0.12 -3.17 114.58 116.62 3h1k h GLU 66 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h1k h GLU 66 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3h1k h GLU 66 CO 0.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 3h1k n GLU 67 N -2.91 0.12 -4.35 2.33 1.02 -0.95 -4.27 120.64 111.63 3h1k n GLU 67 Ca 0.03 0.04 -0.22 0.00 -0.02 0.00 0.00 57.16 56.99 3h1k n GLU 67 Cb 0.53 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.34 3h1k n GLU 67 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h1k s VAL 68 N -2.10 1.93 -0.11 2.62 1.01 -1.22 -5.03 120.40 117.50 3h1k s VAL 68 Ca 0.06 -1.99 -0.01 0.00 0.00 0.00 0.00 61.98 60.03 3h1k s VAL 68 Cb 0.03 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 3h1k s VAL 68 CO 0.05 -0.32 -0.05 -1.61 0.00 0.00 0.00 175.10 173.16 3h1k s GLU 69 N -2.91 3.19 0.21 2.72 2.02 -1.26 -0.38 118.70 122.29 3h1k s GLU 69 Ca 0.18 -0.53 0.10 0.00 0.02 0.00 0.00 54.97 54.74 3h1k s GLU 69 Cb -0.05 -2.74 -0.05 0.00 0.10 0.00 0.00 34.13 31.39 3h1k s GLU 69 CO 0.08 0.47 -0.20 0.14 0.02 0.00 0.00 175.26 175.76 3h1k s VAL 70 N -0.26 2.16 -0.31 2.63 -7.23 0.16 -4.89 120.40 112.66 3h1k s VAL 70 Ca 0.04 -2.13 -0.16 0.00 -1.81 0.00 0.00 61.98 57.92 3h1k s VAL 70 Cb -0.13 -2.09 -0.02 0.00 0.56 0.00 0.00 36.38 34.70 3h1k s VAL 70 CO 0.02 -0.32 0.42 -1.58 -0.31 0.00 0.00 175.10 173.33 3h1k s GLN 71 N -3.08 3.82 0.00 4.82 0.74 -1.26 -1.58 119.66 123.13 3h1k s GLN 71 Ca 0.22 -0.09 0.00 0.00 0.05 0.00 0.00 55.36 55.54 3h1k s GLN 71 Cb -0.06 -3.73 0.00 0.00 1.10 0.00 0.00 33.01 30.33 3h1k s GLN 71 CO 0.10 -0.43 0.00 -3.47 -0.55 0.00 0.00 175.29 170.94 3h1k n ASP 72 N 5.46 1.56 0.00 6.67 4.64 -0.91 -4.98 116.55 128.99 3h1k n ASP 72 Ca -0.07 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.34 3h1k n ASP 72 Cb 0.50 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.58 3h1k n ASP 72 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3h1k n GLY 73 N 4.27 -1.82 3.63 0.27 0.00 -1.26 -2.92 105.19 107.36 3h1k n GLY 73 Ca 0.00 -1.86 -0.29 0.00 0.00 0.00 0.00 46.02 43.88 3h1k n GLY 73 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h1k s PRO 74 N 0.00 -0.17 0.02 1.61 0.04 -1.26 -5.02 135.00 130.21 3h1k s PRO 74 Ca 0.00 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.45 3h1k s PRO 74 Cb 0.00 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.87 3h1k s PRO 74 CO 0.00 -3.12 0.02 -0.40 0.04 0.00 0.00 177.00 173.55 3h1k n ASP 75 N -4.43 0.31 -2.91 6.66 5.75 -0.77 -4.87 116.55 116.30 3h1k n ASP 75 Ca 0.06 -1.06 -0.31 0.00 -0.01 0.00 0.00 54.79 53.48 3h1k n ASP 75 Cb 0.58 -0.01 -0.07 0.00 -1.03 0.00 0.00 41.12 40.58 3h1k n ASP 75 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3h1k n GLU 76 N -0.92 3.20 0.00 0.11 1.02 -1.26 -0.19 120.64 122.60 3h1k n GLU 76 Ca 0.00 -1.86 0.00 0.00 -0.02 0.00 0.00 57.16 55.28 3h1k n GLU 76 Cb 0.02 -2.55 0.00 0.00 -0.02 0.00 0.00 31.44 28.89 3h1k n GLU 76 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h1k n ASN 77 N 3.20 0.00 0.00 1.62 3.02 -1.26 -5.01 115.26 116.83 3h1k n ASN 77 Ca 0.68 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.23 3h1k n ASN 77 Cb 0.44 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 3h1k n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h1k n GLY 78 N 0.00 3.19 3.75 7.41 0.00 0.73 -5.05 105.19 115.23 3h1k n GLY 78 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3h1k n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h1k s GLU 79 N -0.76 2.96 0.35 1.61 0.41 -1.26 -4.40 118.70 117.61 3h1k s GLU 79 Ca 0.00 1.83 -0.17 0.00 -0.41 0.00 0.00 54.97 56.22 3h1k s GLU 79 Cb 0.00 -1.93 -0.09 0.00 -1.78 0.00 0.00 34.13 30.33 3h1k s GLU 79 CO 0.00 -1.22 0.79 -0.51 -0.49 0.00 0.00 175.26 173.83 3h1k s LEU 80 N -4.09 4.04 0.00 1.80 1.43 -1.26 -1.84 118.68 118.76 3h1k s LEU 80 Ca 0.77 1.39 0.06 0.00 -1.03 0.00 0.00 54.13 55.32 3h1k s LEU 80 Cb -0.30 -4.19 -0.02 0.00 0.03 0.00 0.00 46.19 41.71 3h1k s LEU 80 CO 0.33 -0.24 0.21 2.22 0.23 0.00 0.00 176.35 179.10 3h1k n PHE 81 N -0.41 -0.36 -4.23 0.29 -0.00 -1.15 -4.97 117.46 106.63 3h1k n PHE 81 Ca 0.04 -2.55 -0.29 0.00 -0.00 0.00 0.00 57.45 54.66 3h1k n PHE 81 Cb 0.53 0.15 -0.09 0.00 -0.00 0.00 0.00 39.48 40.07 3h1k n PHE 81 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.76 175.12 3h1k s MET 82 N -3.35 2.17 0.12 3.97 -1.94 -1.26 -2.15 119.30 116.85 3h1k s MET 82 Ca 0.29 -1.09 -0.19 0.00 -1.71 0.00 0.00 55.69 52.99 3h1k s MET 82 Cb 0.01 -2.29 0.05 0.00 2.01 0.00 0.00 34.83 34.62 3h1k s MET 82 CO 0.21 0.48 0.47 -0.98 -0.01 0.00 0.00 175.02 175.19 3h1k s ARG 83 N -2.48 1.11 0.41 2.03 1.70 -0.61 -4.94 118.95 116.16 3h1k s ARG 83 Ca 0.23 -0.55 -0.23 0.00 -0.47 0.00 0.00 55.73 54.71 3h1k s ARG 83 Cb -0.10 0.50 -0.09 0.00 -0.57 0.00 0.00 34.95 34.68 3h1k s ARG 83 CO 0.15 -0.44 1.01 -1.25 -1.08 0.00 0.00 175.30 173.69 3h1k s PRO 84 N -3.50 4.18 0.58 3.89 0.04 -1.26 0.35 135.00 139.29 3h1k s PRO 84 Ca 0.01 1.37 -0.18 0.00 0.04 0.00 0.00 61.00 62.24 3h1k s PRO 84 Cb 0.01 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 3h1k s PRO 84 CO -0.10 -0.10 1.13 0.20 0.04 0.00 0.00 177.00 178.17 3h1k s GLY 85 N -1.78 2.49 0.19 0.56 0.00 0.49 -4.75 107.32 104.52 3h1k s GLY 85 Ca 0.59 0.75 0.07 0.00 0.00 0.00 0.00 44.72 46.12 3h1k s GLY 85 CO 0.22 1.10 -0.13 -1.59 0.00 0.00 0.00 173.10 172.71 3h1k s LYS 86 N -3.54 1.27 0.46 2.90 -2.85 -1.26 -3.42 119.74 113.30 3h1k s LYS 86 Ca 0.71 -1.56 0.27 0.00 -1.00 0.00 0.00 55.97 54.38 3h1k s LYS 86 Cb -0.23 -0.99 1.31 0.00 -2.06 0.00 0.00 37.83 35.86 3h1k s LYS 86 CO 0.32 0.15 1.76 -0.84 0.10 0.00 0.00 175.35 176.84 3h1k h ILE 87 N 2.60 0.43 0.00 3.79 3.07 -1.86 0.23 117.51 125.77 3h1k h ILE 87 Ca -0.38 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 65.96 3h1k h ILE 87 Cb 1.21 0.20 0.00 0.00 -0.27 0.00 0.00 36.82 37.96 3h1k h ILE 87 CO 0.63 0.04 0.00 -1.54 -1.05 0.00 0.00 178.15 176.22 3h1k n SER 88 N -4.47 0.09 -4.88 2.16 3.41 -1.26 -1.62 113.62 107.05 3h1k n SER 88 Ca 0.27 -1.32 -0.33 0.00 -0.26 0.00 0.00 58.87 57.23 3h1k n SER 88 Cb 1.09 -0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.94 3h1k n SER 88 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3h1k s ASP 89 N -1.21 6.22 0.06 4.04 1.01 0.81 -5.01 116.67 122.58 3h1k s ASP 89 Ca 0.00 0.29 -0.19 0.00 0.71 0.00 0.00 52.55 53.36 3h1k s ASP 89 Cb 0.00 -1.91 -0.06 0.00 1.01 0.00 0.00 42.92 41.95 3h1k s ASP 89 CO 0.00 0.25 0.55 -0.31 0.21 0.00 0.00 175.17 175.86 3h1k s TYR 90 N -1.33 3.79 -0.19 4.23 1.51 -1.26 -2.63 117.35 121.47 3h1k s TYR 90 Ca 0.28 1.23 -0.41 0.00 -1.01 0.00 0.00 57.07 57.15 3h1k s TYR 90 Cb -0.13 -2.47 -0.19 0.00 -0.11 0.00 0.00 41.96 39.06 3h1k s TYR 90 CO 0.19 0.58 1.23 1.19 -1.11 0.00 0.00 175.55 177.64 3h1k n PHE 91 N 1.79 1.03 -1.74 2.71 3.72 -0.73 -4.81 117.46 119.44 3h1k n PHE 91 Ca -0.11 1.05 -0.42 0.00 -0.05 0.00 0.00 57.45 57.93 3h1k n PHE 91 Cb 0.51 -2.06 -0.01 0.00 -0.94 0.00 0.00 39.48 36.98 3h1k n PHE 91 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3h1k n PRO 92 N 2.38 2.50 -2.73 -1.08 -0.02 -1.26 -4.51 135.00 130.28 3h1k n PRO 92 Ca 0.23 0.88 -0.37 0.00 -2.02 0.00 0.00 63.50 62.23 3h1k n PRO 92 Cb 0.02 -2.59 -0.06 0.00 -0.02 0.00 0.00 33.50 30.85 3h1k n PRO 92 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3h1k s LYS 93 N -1.39 4.50 0.04 -0.52 1.02 -1.26 -4.69 119.74 117.43 3h1k s LYS 93 Ca 0.58 1.37 0.26 0.00 0.02 0.00 0.00 55.97 58.20 3h1k s LYS 93 Cb -0.52 -2.74 0.66 0.00 -0.52 0.00 0.00 37.83 34.72 3h1k s LYS 93 CO 0.57 0.19 1.54 -2.30 -0.92 0.00 0.00 175.35 174.43 3h1k n PRO 94 N 0.41 0.09 -4.43 -1.68 -0.02 -1.26 -4.88 135.00 123.23 3h1k n PRO 94 Ca 0.03 0.03 -0.25 0.00 -2.02 0.00 0.00 63.50 61.29 3h1k n PRO 94 Cb 0.50 -1.56 -0.07 0.00 -0.02 0.00 0.00 33.50 32.34 3h1k n PRO 94 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3h1k n TYR 95 N -1.70 -0.04 0.12 6.00 4.02 -1.26 -5.01 117.16 119.30 3h1k n TYR 95 Ca 0.05 -2.72 0.06 0.00 -0.01 0.00 0.00 57.90 55.28 3h1k n TYR 95 Cb 0.37 0.05 -0.09 0.00 -0.02 0.00 0.00 39.34 39.65 3h1k n TYR 95 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 3h1k n PRO 96 N -0.89 0.95 -3.64 -0.72 -0.02 -1.26 -5.01 135.00 124.40 3h1k n PRO 96 Ca -0.03 -0.09 -0.04 0.00 -2.02 0.00 0.00 63.50 61.32 3h1k n PRO 96 Cb 0.63 -1.25 -0.07 0.00 -0.02 0.00 0.00 33.50 32.79 3h1k n PRO 96 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3h1k s ASN 97 N -3.16 -0.44 0.14 2.55 2.20 -1.26 -5.06 114.94 109.90 3h1k s ASN 97 Ca -0.03 0.75 -0.10 0.00 -0.94 0.00 0.00 52.86 52.55 3h1k s ASN 97 Cb 0.08 1.03 0.14 0.00 -2.00 0.00 0.00 41.25 40.51 3h1k s ASN 97 CO 0.52 -0.12 0.91 -0.81 -2.94 0.00 0.00 177.10 174.66 3h1k n PRO 98 N 3.11 -0.14 -0.48 3.55 -0.04 -1.26 0.17 135.00 139.91 3h1k n PRO 98 Ca -0.16 0.91 0.41 0.00 -0.04 0.00 0.00 63.50 64.61 3h1k n PRO 98 Cb 0.57 -1.35 0.69 0.00 -0.04 0.00 0.00 33.50 33.37 3h1k n PRO 98 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3h1k h GLU 99 N 0.00 0.02 0.06 0.54 3.07 -2.00 0.31 114.58 116.58 3h1k h GLU 99 Ca 0.21 -0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.96 3h1k h GLU 99 Cb 0.35 -0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.27 3h1k h GLU 99 CO -0.59 0.01 -0.43 0.00 -1.40 0.00 0.00 179.01 176.61 3h1k h ALA 100 N 1.56 -0.02 -0.00 3.43 0.00 0.14 -3.09 119.26 121.27 3h1k h ALA 100 Ca 0.87 -0.58 0.02 0.00 0.00 0.00 0.00 54.91 55.23 3h1k h ALA 100 Cb 2.85 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 20.66 3h1k h ALA 100 CO -0.42 0.20 -0.15 0.00 0.00 0.00 0.00 179.25 178.87 3h1k h ALA 101 N 0.12 -0.18 -0.76 0.00 0.00 -0.38 -0.71 119.26 117.36 3h1k h ALA 101 Ca -0.07 0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.02 3h1k h ALA 101 Cb 1.28 0.27 -0.12 0.00 0.00 0.00 0.00 17.79 19.22 3h1k h ALA 101 CO 0.08 -0.64 0.11 0.00 0.00 0.00 0.00 179.25 178.80 3h1k h ARG 102 N -0.25 0.18 -1.00 0.00 3.08 -1.17 0.50 114.38 115.72 3h1k h ARG 102 Ca 0.05 -0.01 0.24 0.00 0.07 0.00 0.00 59.98 60.33 3h1k h ARG 102 Cb 0.32 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.24 3h1k h ARG 102 CO -0.15 0.12 0.64 0.00 -1.07 0.00 0.00 179.97 179.51 3h1k h ALA 103 N 1.67 2.13 -0.80 0.04 0.00 -1.05 -1.14 119.26 120.11 3h1k h ALA 103 Ca 0.43 0.05 -0.52 0.00 0.00 0.00 0.00 54.91 54.87 3h1k h ALA 103 Cb 0.77 -0.01 -0.29 0.00 0.00 0.00 0.00 17.79 18.26 3h1k h ALA 103 CO -0.59 -0.50 0.23 0.00 0.00 0.00 0.00 179.25 178.38 3h1k n ALA 104 N -2.46 5.50 -1.90 0.00 0.00 0.17 -4.33 120.51 117.49 3h1k n ALA 104 Ca 0.23 -3.40 0.00 0.00 0.00 0.00 0.00 53.44 50.27 3h1k n ALA 104 Cb 0.78 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3h1k n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h1k n ASN 105 N -0.95 0.00 -1.82 0.00 3.02 -0.54 -5.03 115.26 109.94 3h1k n ASN 105 Ca 0.52 -1.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.05 3h1k n ASN 105 Cb 0.97 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 40.15 3h1k n ASN 105 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3h1k n ASN 106 N 0.00 -2.93 0.00 6.41 3.02 -0.55 -3.75 115.26 117.46 3h1k n ASN 106 Ca 0.00 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 3h1k n ASN 106 Cb 0.36 -1.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.04 3h1k n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h1k n GLY 107 N -1.38 1.98 3.76 7.41 0.00 -0.57 -4.94 105.19 111.44 3h1k n GLY 107 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3h1k n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1k s ALA 108 N -0.01 3.60 -0.45 4.61 0.00 -1.25 -4.70 121.76 123.56 3h1k s ALA 108 Ca 0.00 1.38 -0.01 0.00 0.00 0.00 0.00 51.96 53.33 3h1k s ALA 108 Cb 0.00 -3.55 0.12 0.00 0.00 0.00 0.00 23.12 19.69 3h1k s ALA 108 CO 0.00 -0.79 0.23 -1.17 0.00 0.00 0.00 175.76 174.03 3h1k s LEU 109 N -1.04 5.09 -0.52 0.00 2.96 -1.26 -3.72 118.68 120.19 3h1k s LEU 109 Ca 0.56 -2.31 -0.27 0.00 -0.22 0.00 0.00 54.13 51.90 3h1k s LEU 109 Cb -0.43 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 3h1k s LEU 109 CO 0.49 -0.45 2.09 -2.16 -1.32 0.00 0.00 176.35 175.00 3h1k s PRO 110 N 0.73 2.51 0.52 0.98 0.04 -1.26 -4.91 135.00 133.60 3h1k s PRO 110 Ca 0.11 1.06 -0.22 0.00 0.04 0.00 0.00 61.00 62.00 3h1k s PRO 110 Cb -0.22 -4.45 -0.07 0.00 0.04 0.00 0.00 34.50 29.81 3h1k s PRO 110 CO -0.04 -2.84 1.13 -0.35 0.04 0.00 0.00 177.00 174.94 3h1k n PRO 111 N 9.03 1.38 -1.85 0.56 -0.04 -1.26 -4.58 135.00 138.23 3h1k n PRO 111 Ca 0.27 0.51 -0.40 0.00 -0.04 0.00 0.00 63.50 63.84 3h1k n PRO 111 Cb 0.52 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 3h1k n PRO 111 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3h1k s ASP 112 N -0.93 6.20 -0.24 3.54 -1.08 -1.26 -4.42 116.67 118.47 3h1k s ASP 112 Ca 0.70 2.93 0.14 0.00 -0.52 0.00 0.00 52.55 55.80 3h1k s ASP 112 Cb -0.46 -2.66 0.81 0.00 -1.46 0.00 0.00 42.92 39.16 3h1k s ASP 112 CO 0.51 -0.96 1.75 0.18 0.52 0.00 0.00 175.17 177.18 3h1k n LEU 113 N 0.20 5.74 0.16 -1.34 4.77 0.17 -4.43 117.00 122.27 3h1k n LEU 113 Ca 0.03 -2.96 -0.07 0.00 -0.03 0.00 0.00 56.01 52.98 3h1k n LEU 113 Cb 0.41 -0.69 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 3h1k n LEU 113 CO 0.61 0.64 0.41 0.28 -1.33 0.00 0.00 177.39 178.00 3h1k h SER 114 N 3.86 -0.36 -0.50 -1.43 0.02 -1.89 -3.30 113.55 109.96 3h1k h SER 114 Ca 0.02 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3h1k h SER 114 Cb 2.00 0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.64 3h1k h SER 114 CO 0.51 -0.22 0.00 -1.22 -1.14 0.00 0.00 176.83 174.76 3h1k n TYR 115 N -3.38 0.66 -0.35 3.45 4.02 -1.26 -3.35 117.16 116.95 3h1k n TYR 115 Ca -0.05 -0.33 -0.01 0.00 -0.01 0.00 0.00 57.90 57.49 3h1k n TYR 115 Cb 0.17 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.53 3h1k n TYR 115 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 176.86 176.82 3h1k h ILE 116 N 3.27 0.03 -0.51 -0.72 6.09 -1.77 -0.87 117.51 123.02 3h1k h ILE 116 Ca 0.00 0.00 0.09 0.00 -1.37 0.00 0.00 64.86 63.58 3h1k h ILE 116 Cb 0.74 0.03 -0.07 0.00 0.47 0.00 0.00 36.82 38.00 3h1k h ILE 116 CO 0.00 0.00 0.11 -0.37 -3.07 0.00 0.00 178.15 174.82 3h1k h VAL 117 N -0.03 0.72 0.00 2.19 -1.51 -1.85 0.26 116.25 116.04 3h1k h VAL 117 Ca 0.34 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.72 3h1k h VAL 117 Cb 0.60 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.20 3h1k h VAL 117 CO -0.94 0.05 0.00 0.59 -1.23 0.00 0.00 177.57 176.04 3h1k n ASN 118 N -5.10 0.00 0.01 4.19 3.02 -0.42 -2.95 115.26 114.01 3h1k n ASN 118 Ca 0.06 -1.19 0.11 0.00 -0.03 0.00 0.00 54.58 53.52 3h1k n ASN 118 Cb 0.25 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.33 3h1k n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h1k n ALA 119 N -0.87 3.41 -2.43 5.41 0.00 0.87 -4.91 120.51 121.99 3h1k n ALA 119 Ca 0.17 -0.48 -0.30 0.00 0.00 0.00 0.00 53.44 52.83 3h1k n ALA 119 Cb 0.08 -0.85 -0.13 0.00 0.00 0.00 0.00 19.45 18.56 3h1k n ALA 119 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h1k s ARG 120 N -3.29 1.83 0.32 0.00 1.81 -0.92 -5.05 118.95 113.64 3h1k s ARG 120 Ca -0.00 -1.12 -0.29 0.00 -1.72 0.00 0.00 55.73 52.60 3h1k s ARG 120 Cb 0.14 -2.08 -0.10 0.00 -0.45 0.00 0.00 34.95 32.46 3h1k s ARG 120 CO 0.86 0.50 1.33 -1.01 -0.68 0.00 0.00 175.30 176.30 3h1k s HIS 121 N -0.98 3.04 0.00 -0.53 3.76 -1.26 -2.07 115.29 117.24 3h1k s HIS 121 Ca 0.15 1.36 0.00 0.00 -0.15 0.00 0.00 55.06 56.42 3h1k s HIS 121 Cb -0.10 -3.70 0.00 0.00 1.11 0.00 0.00 32.58 29.88 3h1k s HIS 121 CO 0.06 -1.98 0.00 0.41 -0.85 0.00 0.00 174.74 172.38 3h1k n GLY 122 N 0.99 0.79 2.85 -2.22 0.00 -1.26 -4.64 105.19 101.69 3h1k n GLY 122 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3h1k n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1k n GLY 123 N -2.30 0.73 0.37 -0.02 0.00 -0.88 0.04 105.19 103.13 3h1k n GLY 123 Ca 0.00 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.10 3h1k n GLY 123 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h1k h GLU 124 N 0.00 0.67 -0.97 1.61 9.09 -1.91 0.71 114.58 123.78 3h1k h GLU 124 Ca 0.00 -0.04 0.16 0.00 0.05 0.00 0.00 59.36 59.53 3h1k h GLU 124 Cb 0.00 -0.15 -0.10 0.00 -1.65 0.00 0.00 28.75 26.85 3h1k h GLU 124 CO 0.00 0.44 0.58 -0.44 0.05 0.00 0.00 179.01 179.65 3h1k h ASP 125 N 0.69 0.77 0.20 3.06 3.45 -1.36 0.45 116.42 123.68 3h1k h ASP 125 Ca 0.54 0.08 -0.01 0.00 0.43 0.00 0.00 57.03 58.07 3h1k h ASP 125 Cb 0.93 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.64 3h1k h ASP 125 CO -0.31 0.33 -0.10 0.22 -1.57 0.00 0.00 179.24 177.81 3h1k h TYR 126 N 0.80 -0.25 -0.02 4.55 3.20 0.42 -3.14 116.97 122.54 3h1k h TYR 126 Ca 0.53 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.40 3h1k h TYR 126 Cb 0.73 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.09 3h1k h TYR 126 CO -0.02 -0.16 0.51 0.28 -1.64 0.00 0.00 178.16 177.13 3h1k h VAL 127 N -0.78 0.01 0.00 1.81 2.07 -0.34 -1.73 116.25 117.29 3h1k h VAL 127 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3h1k h VAL 127 Cb 0.21 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3h1k h VAL 127 CO 0.05 0.00 0.00 0.33 0.02 0.00 0.00 177.57 177.97 3h1k n PHE 128 N -2.81 0.00 -0.29 1.57 7.35 0.15 -3.47 117.46 119.97 3h1k n PHE 128 Ca -0.01 0.00 0.28 0.00 -0.76 0.00 0.00 57.45 56.96 3h1k n PHE 128 Cb 0.55 -0.31 0.50 0.00 0.35 0.00 0.00 39.48 40.56 3h1k n PHE 128 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 3h1k n SER 129 N -1.44 0.26 0.34 -2.13 7.64 -0.74 0.09 113.62 117.64 3h1k n SER 129 Ca 0.00 1.32 -0.17 0.00 1.01 0.00 0.00 58.87 61.03 3h1k n SER 129 Cb 0.00 -0.64 -0.09 0.00 -1.01 0.00 0.00 64.21 62.47 3h1k n SER 129 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3h1k h LEU 130 N 0.00 -1.13 0.19 -3.43 5.85 -1.45 -3.04 115.31 112.29 3h1k h LEU 130 Ca 0.70 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 59.49 3h1k h LEU 130 Cb 1.95 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 43.31 3h1k h LEU 130 CO -0.58 -0.64 -0.23 -0.07 -0.34 0.00 0.00 178.44 176.57 3h1k h LEU 131 N -1.01 -0.66 -7.95 2.25 3.38 -0.38 -3.18 115.31 107.76 3h1k h LEU 131 Ca -0.08 0.06 -0.61 0.00 0.09 0.00 0.00 57.88 57.34 3h1k h LEU 131 Cb 0.83 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.72 3h1k h LEU 131 CO 0.05 -0.30 1.86 0.42 0.09 0.00 0.00 178.44 180.56 3h1k s THR 132 N -4.29 3.98 0.00 0.22 -4.23 -0.77 -3.90 115.64 106.65 3h1k s THR 132 Ca -0.08 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 3h1k s THR 132 Cb 0.02 -5.05 0.00 0.00 1.34 0.00 0.00 72.50 68.81 3h1k s THR 132 CO 0.27 -1.85 0.00 0.61 -0.54 0.00 0.00 174.62 173.12 3h1k n GLY 133 N 5.85 0.00 3.85 3.99 0.00 -1.15 -4.47 105.19 113.26 3h1k n GLY 133 Ca 0.44 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.15 3h1k n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h1k s TYR 134 N 0.00 3.43 0.11 1.61 1.51 -1.25 -4.43 117.35 118.33 3h1k s TYR 134 Ca 0.00 1.32 -0.26 0.00 -1.01 0.00 0.00 57.07 57.13 3h1k s TYR 134 Cb 0.00 -2.66 0.08 0.00 -0.11 0.00 0.00 41.96 39.27 3h1k s TYR 134 CO 0.00 -0.21 1.09 0.00 -1.11 0.00 0.00 175.55 175.33 3h1k s ASP 136 N -3.19 6.27 0.57 0.00 1.01 -1.26 -4.41 116.67 115.65 3h1k s ASP 136 Ca 0.18 2.25 -0.17 0.00 0.71 0.00 0.00 52.55 55.51 3h1k s ASP 136 Cb -0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 3h1k s ASP 136 CO 0.02 -0.85 1.08 -2.16 0.21 0.00 0.00 175.17 173.47 3h1k s PRO 137 N -2.69 3.36 0.82 8.23 0.04 -1.26 -5.04 135.00 138.47 3h1k s PRO 137 Ca 0.63 1.36 -0.10 0.00 0.04 0.00 0.00 61.00 62.93 3h1k s PRO 137 Cb -0.27 -2.03 0.13 0.00 0.04 0.00 0.00 34.50 32.37 3h1k s PRO 137 CO 0.33 -0.79 1.15 -1.25 0.04 0.00 0.00 177.00 176.48 3h1k s PRO 138 N -3.71 1.43 0.37 0.56 0.04 -1.26 -4.93 135.00 127.50 3h1k s PRO 138 Ca 0.67 -0.48 -0.26 0.00 0.04 0.00 0.00 61.00 60.98 3h1k s PRO 138 Cb -0.18 -2.05 -0.12 0.00 0.04 0.00 0.00 34.50 32.18 3h1k s PRO 138 CO 0.31 -1.79 0.96 0.00 0.04 0.00 0.00 177.00 176.52 3h1k n ALA 139 N -3.28 -0.15 0.00 8.56 0.00 -1.26 -1.89 120.51 122.49 3h1k n ALA 139 Ca 0.12 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3h1k n ALA 139 Cb 0.60 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 18.03 3h1k n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1k n GLY 140 N 1.26 3.03 3.50 0.00 0.00 -1.26 -4.97 105.19 106.75 3h1k n GLY 140 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3h1k n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1k s VAL 141 N -1.39 4.81 -0.22 1.61 1.01 -0.79 -5.03 120.40 120.39 3h1k s VAL 141 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 3h1k s VAL 141 Cb 0.00 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 3h1k s VAL 141 CO 0.00 -0.68 0.04 0.68 0.00 0.00 0.00 175.10 175.14 3h1k s VAL 142 N 2.86 4.22 -0.15 2.92 -7.23 -1.26 -4.69 120.40 117.07 3h1k s VAL 142 Ca 0.22 -0.21 -0.16 0.00 -1.81 0.00 0.00 61.98 60.02 3h1k s VAL 142 Cb -0.15 -2.94 -0.04 0.00 0.56 0.00 0.00 36.38 33.80 3h1k s VAL 142 CO 0.17 0.39 0.37 -0.69 -0.31 0.00 0.00 175.10 175.03 3h1k s VAL 143 N 1.24 5.26 0.52 1.32 1.01 -1.26 -5.06 120.40 123.43 3h1k s VAL 143 Ca 0.04 0.71 -0.22 0.00 0.00 0.00 0.00 61.98 62.51 3h1k s VAL 143 Cb -0.15 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 3h1k s VAL 143 CO 0.03 0.35 1.28 0.00 0.00 0.00 0.00 175.10 176.76 3h1k s ARG 144 N 0.59 3.34 -0.35 2.72 1.70 -1.26 -4.86 118.95 120.83 3h1k s ARG 144 Ca 0.20 2.05 -0.30 0.00 -0.47 0.00 0.00 55.73 57.21 3h1k s ARG 144 Cb -0.14 -2.28 -0.08 0.00 -0.57 0.00 0.00 34.95 31.88 3h1k s ARG 144 CO 0.06 -0.97 2.29 -1.91 -1.08 0.00 0.00 175.30 173.69 3h1k n GLU 145 N -0.88 1.41 0.00 3.89 2.13 -1.26 -1.58 120.64 124.35 3h1k n GLU 145 Ca 0.10 0.31 0.00 0.00 0.66 0.00 0.00 57.16 58.23 3h1k n GLU 145 Cb 0.46 -3.00 0.00 0.00 0.27 0.00 0.00 31.44 29.17 3h1k n GLU 145 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h1k n GLY 146 N 6.08 1.56 3.74 8.31 0.00 -1.26 -5.11 105.19 118.51 3h1k n GLY 146 Ca 0.36 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.11 3h1k n GLY 146 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h1k s LEU 147 N 0.00 3.62 0.10 0.99 1.43 -0.61 -4.82 118.68 119.39 3h1k s LEU 147 Ca 0.00 -0.19 0.08 0.00 -1.03 0.00 0.00 54.13 52.99 3h1k s LEU 147 Cb 0.00 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 3h1k s LEU 147 CO 0.00 0.11 -0.17 -1.00 0.23 0.00 0.00 176.35 175.51 3h1k s HIS 148 N -1.62 2.56 0.23 0.29 3.76 -0.18 -4.74 115.29 115.58 3h1k s HIS 148 Ca 0.29 -0.25 -0.30 0.00 -0.15 0.00 0.00 55.06 54.65 3h1k s HIS 148 Cb -0.10 -1.38 -0.09 0.00 1.11 0.00 0.00 32.58 32.12 3h1k s HIS 148 CO 0.21 0.36 1.05 -0.47 -0.85 0.00 0.00 174.74 175.04 3h1k s TYR 149 N -1.09 3.70 -0.29 1.40 5.04 -1.26 -2.37 117.35 122.47 3h1k s TYR 149 Ca 0.17 1.73 0.02 0.00 -2.44 0.00 0.00 57.07 56.55 3h1k s TYR 149 Cb -0.11 -3.19 0.19 0.00 0.35 0.00 0.00 41.96 39.20 3h1k s TYR 149 CO 0.09 -0.27 0.58 1.21 -1.34 0.00 0.00 175.55 175.82 3h1k s ASN 150 N -0.66 -1.34 0.56 4.32 3.84 -0.40 -2.99 114.94 118.28 3h1k s ASN 150 Ca 0.45 0.55 0.26 0.00 0.21 0.00 0.00 52.86 54.33 3h1k s ASN 150 Cb -0.29 2.03 1.63 0.00 -0.55 0.00 0.00 41.25 44.07 3h1k s ASN 150 CO 0.36 -0.28 2.19 1.55 -2.79 0.00 0.00 177.10 178.13 3h1k h PRO 151 N 8.01 0.00 0.00 0.43 0.13 -1.79 -2.75 132.00 136.04 3h1k h PRO 151 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3h1k h PRO 151 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3h1k h PRO 151 CO 0.22 0.03 0.00 0.66 -0.23 0.00 0.00 178.00 178.69 3h1k n TYR 152 N -3.94 0.00 -5.13 1.56 4.01 -1.26 -4.40 117.16 108.00 3h1k n TYR 152 Ca -0.03 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.39 3h1k n TYR 152 Cb 0.12 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 38.98 3h1k n TYR 152 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 3h1k s PHE 153 N -2.00 2.59 0.07 -0.72 5.36 -1.04 -4.90 117.98 117.35 3h1k s PHE 153 Ca 0.35 -1.03 -0.36 0.00 -0.96 0.00 0.00 56.93 54.93 3h1k s PHE 153 Cb 0.16 -1.73 -0.15 0.00 -0.34 0.00 0.00 43.02 40.95 3h1k s PHE 153 CO 0.27 -0.42 1.49 -0.35 -1.46 0.00 0.00 175.22 174.76 3h1k n PRO 154 N 3.57 1.57 0.00 10.12 -0.04 -1.26 0.81 135.00 149.76 3h1k n PRO 154 Ca -0.19 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 3h1k n PRO 154 Cb 0.53 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 3h1k n PRO 154 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h1k n GLY 155 N 3.10 1.82 4.34 0.55 0.00 -1.26 -4.38 105.19 109.35 3h1k n GLY 155 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3h1k n GLY 155 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h1k n GLN 156 N -2.00 0.00 -3.65 1.61 3.00 0.24 -4.86 117.38 111.72 3h1k n GLN 156 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.60 3h1k n GLN 156 Cb 0.00 -4.09 -0.09 0.00 0.00 0.00 0.00 30.24 26.06 3h1k n GLN 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3h1k s ALA 157 N -0.95 3.48 0.11 -1.58 0.00 -1.26 -1.27 121.76 120.29 3h1k s ALA 157 Ca 0.00 -2.91 -0.06 0.00 0.00 0.00 0.00 51.96 49.00 3h1k s ALA 157 Cb 0.00 -2.73 -0.05 0.00 0.00 0.00 0.00 23.12 20.33 3h1k s ALA 157 CO 0.00 -2.00 0.36 -1.50 0.00 0.00 0.00 175.76 172.62 3h1k s ILE 158 N 0.62 5.18 -1.86 0.00 2.07 -1.00 -4.89 121.20 121.33 3h1k s ILE 158 Ca 0.12 0.10 0.27 0.00 -1.41 0.00 0.00 60.65 59.73 3h1k s ILE 158 Cb -0.21 -3.62 0.33 0.00 0.13 0.00 0.00 42.46 39.09 3h1k s ILE 158 CO -0.03 0.13 1.63 0.61 -1.91 0.00 0.00 174.94 175.36 3h1k n GLY 159 N 0.38 -0.55 3.77 1.50 0.00 -1.26 -1.02 105.19 108.00 3h1k n GLY 159 Ca -0.05 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 3h1k n GLY 159 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3h1k s MET 160 N -2.42 4.50 0.16 1.61 0.00 -1.26 -4.87 119.30 117.03 3h1k s MET 160 Ca 0.27 1.08 -0.25 0.00 0.00 0.00 0.00 55.69 56.79 3h1k s MET 160 Cb 0.20 -3.30 -0.08 0.00 0.00 0.00 0.00 34.83 31.64 3h1k s MET 160 CO 0.49 0.45 0.76 0.00 0.00 0.00 0.00 175.02 176.72 3h1k s ALA 161 N -0.68 3.46 -0.50 4.11 0.00 -1.26 -4.64 121.76 122.25 3h1k s ALA 161 Ca 0.36 0.33 -0.32 0.00 0.00 0.00 0.00 51.96 52.33 3h1k s ALA 161 Cb -0.22 -2.93 -0.12 0.00 0.00 0.00 0.00 23.12 19.86 3h1k s ALA 161 CO 0.24 0.30 2.34 -2.30 0.00 0.00 0.00 175.76 176.34 3h1k n PRO 162 N 1.54 0.90 0.18 0.00 -0.02 -1.26 -4.77 135.00 131.57 3h1k n PRO 162 Ca -0.06 0.17 0.05 0.00 -2.02 0.00 0.00 63.50 61.64 3h1k n PRO 162 Cb 0.49 -2.55 0.33 0.00 -0.02 0.00 0.00 33.50 31.75 3h1k n PRO 162 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3h1k h PRO 163 N 14.18 0.00 -6.78 0.52 0.13 -1.92 -3.45 132.00 134.68 3h1k h PRO 163 Ca -0.23 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.21 3h1k h PRO 163 Cb 1.30 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.19 3h1k h PRO 163 CO 1.12 0.40 -0.86 0.96 -0.23 0.00 0.00 178.00 179.38 3h1k s ILE 164 N -3.67 2.30 -0.27 -3.56 -4.36 -1.26 -5.04 121.20 105.34 3h1k s ILE 164 Ca -0.00 -1.51 -0.08 0.00 -0.26 0.00 0.00 60.65 58.80 3h1k s ILE 164 Cb 0.11 -1.96 0.12 0.00 1.25 0.00 0.00 42.46 41.99 3h1k s ILE 164 CO 0.69 0.25 0.57 -0.72 0.24 0.00 0.00 174.94 175.97 3h1k s TYR 165 N -0.93 -1.19 0.00 1.37 1.13 -1.26 -5.03 117.35 111.43 3h1k s TYR 165 Ca 0.13 2.00 0.00 0.00 -1.41 0.00 0.00 57.07 57.79 3h1k s TYR 165 Cb -0.10 0.61 0.00 0.00 -1.10 0.00 0.00 41.96 41.37 3h1k s TYR 165 CO 0.04 -0.64 0.00 0.09 -2.51 0.00 0.00 175.55 172.54 3h1k n ASN 166 N 5.43 0.00 -0.91 -0.18 3.02 -1.26 -0.55 115.26 120.81 3h1k n ASN 166 Ca -0.10 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.34 3h1k n ASN 166 Cb 0.49 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.62 3h1k n ASN 166 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3h1k n GLU 167 N 0.00 -1.66 0.00 3.52 1.02 -0.10 -4.77 120.64 118.65 3h1k n GLU 167 Ca 0.00 0.84 0.01 0.00 -0.02 0.00 0.00 57.16 58.00 3h1k n GLU 167 Cb 0.00 -5.18 0.07 0.00 -0.02 0.00 0.00 31.44 26.31 3h1k n GLU 167 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 3h1k n ILE 168 N -2.07 0.00 0.00 -3.67 3.06 0.29 -4.64 119.36 112.32 3h1k n ILE 168 Ca -0.11 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.14 3h1k n ILE 168 Cb 0.55 -0.73 0.00 0.00 0.54 0.00 0.00 39.64 40.00 3h1k n ILE 168 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3h1k n LEU 169 N -0.79 0.00 -3.84 9.51 -0.00 -1.26 -5.02 117.00 115.59 3h1k n LEU 169 Ca 0.02 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.81 3h1k n LEU 169 Cb 0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.26 3h1k n LEU 169 CO 0.01 0.00 -0.40 -1.61 -0.00 0.00 0.00 177.39 175.39 3h1k s GLU 170 N -2.00 0.82 -0.44 1.47 2.02 -1.26 -4.77 118.70 114.54 3h1k s GLU 170 Ca 0.00 -0.03 -0.28 0.00 0.02 0.00 0.00 54.97 54.68 3h1k s GLU 170 Cb 0.00 -0.99 -0.01 0.00 0.10 0.00 0.00 34.13 33.23 3h1k s GLU 170 CO 0.00 -0.20 1.64 0.71 0.02 0.00 0.00 175.26 177.43 3h1k s TYR 171 N 1.47 2.02 -1.56 1.61 4.12 -1.26 -4.82 117.35 118.93 3h1k s TYR 171 Ca -0.02 0.64 0.00 0.00 0.02 0.00 0.00 57.07 57.71 3h1k s TYR 171 Cb -0.13 -4.22 0.00 0.00 -1.52 0.00 0.00 41.96 36.09 3h1k s TYR 171 CO -0.03 -2.41 0.18 -0.40 0.02 0.00 0.00 175.55 172.91 3h1k n ASP 172 N 10.22 0.10 -0.20 2.29 5.68 -1.26 0.05 116.55 133.43 3h1k n ASP 172 Ca 0.19 -0.47 0.08 0.00 -0.50 0.00 0.00 54.79 54.09 3h1k n ASP 172 Cb 0.48 -0.05 -0.04 0.00 -1.14 0.00 0.00 41.12 40.37 3h1k n ASP 172 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3h1k n ASP 173 N -0.11 1.24 0.00 -1.12 5.75 -1.26 -4.98 116.55 116.06 3h1k n ASP 173 Ca 0.00 -1.12 0.00 0.00 -0.01 0.00 0.00 54.79 53.66 3h1k n ASP 173 Cb 0.03 0.72 0.00 0.00 -1.03 0.00 0.00 41.12 40.84 3h1k n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h1k n GLY 174 N 1.28 2.20 3.58 6.12 0.00 0.11 -5.07 105.19 113.40 3h1k n GLY 174 Ca 0.05 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.59 3h1k n GLY 174 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3h1k n THR 175 N -0.11 1.03 -1.91 2.61 -1.04 -1.26 -4.84 114.28 108.75 3h1k n THR 175 Ca 0.00 -0.26 -0.42 0.00 -2.04 0.00 0.00 64.05 61.33 3h1k n THR 175 Cb 0.00 -0.86 -0.03 0.00 -1.82 0.00 0.00 70.33 67.62 3h1k n THR 175 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3h1k s PRO 176 N -0.51 4.20 0.00 -2.82 0.02 -1.26 -4.27 135.00 130.35 3h1k s PRO 176 Ca 0.71 2.36 -0.01 0.00 0.02 0.00 0.00 61.00 64.08 3h1k s PRO 176 Cb -0.83 -3.47 -0.04 0.00 0.02 0.00 0.00 34.50 30.18 3h1k s PRO 176 CO 0.53 -0.70 1.88 0.00 -0.33 0.00 0.00 177.00 178.38 3h1k n ALA 177 N 5.12 3.87 -1.76 -1.55 0.00 -1.26 -4.85 120.51 120.09 3h1k n ALA 177 Ca 0.15 -0.26 -0.37 0.00 0.00 0.00 0.00 53.44 52.96 3h1k n ALA 177 Cb 0.40 -1.38 0.02 0.00 0.00 0.00 0.00 19.45 18.49 3h1k n ALA 177 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3h1k s THR 178 N 0.54 2.55 0.04 0.00 -1.32 -1.26 -0.92 115.64 115.27 3h1k s THR 178 Ca 0.10 0.39 -0.11 0.00 -1.21 0.00 0.00 61.69 60.86 3h1k s THR 178 Cb 0.05 -3.19 -0.04 0.00 -1.51 0.00 0.00 72.50 67.81 3h1k s THR 178 CO 0.00 -0.03 1.18 -0.03 -2.21 0.00 0.00 174.62 173.54 3h1k h MET 179 N 1.48 -0.18 -0.81 7.08 4.05 -1.91 -1.16 114.93 123.48 3h1k h MET 179 Ca -0.50 0.01 0.20 0.00 -0.28 0.00 0.00 59.70 59.13 3h1k h MET 179 Cb 1.28 0.04 -0.13 0.00 -0.80 0.00 0.00 31.60 31.99 3h1k h MET 179 CO 0.58 -0.12 0.12 0.66 0.23 0.00 0.00 176.91 178.38 3h1k h SER 180 N -0.19 -0.16 -0.92 1.39 4.64 -1.98 0.98 113.55 117.32 3h1k h SER 180 Ca 0.01 0.19 0.20 0.00 -0.47 0.00 0.00 61.79 61.72 3h1k h SER 180 Cb 0.22 0.29 -0.07 0.00 -0.31 0.00 0.00 62.40 62.53 3h1k h SER 180 CO -0.15 -0.15 0.60 -0.61 -0.87 0.00 0.00 176.83 175.65 3h1k h GLN 181 N 0.17 0.45 0.15 4.77 5.75 -1.60 0.84 115.11 125.65 3h1k h GLN 181 Ca 0.47 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.94 3h1k h GLN 181 Cb 0.88 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.33 3h1k h GLN 181 CO -0.64 0.30 -0.07 0.82 -2.65 0.00 0.00 178.83 176.58 3h1k h ILE 182 N 0.46 0.00 -1.17 2.39 2.04 0.21 -2.56 117.51 118.88 3h1k h ILE 182 Ca 0.48 -0.15 0.39 0.00 1.00 0.00 0.00 64.86 66.59 3h1k h ILE 182 Cb 1.12 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.07 3h1k h ILE 182 CO -0.20 0.00 0.72 0.00 0.00 0.00 0.00 178.15 178.67 3h1k h ALA 183 N -1.76 2.41 0.36 1.87 0.00 -0.64 0.49 119.26 122.00 3h1k h ALA 183 Ca -0.02 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3h1k h ALA 183 Cb 0.16 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3h1k h ALA 183 CO 0.03 -1.04 -0.26 -0.22 0.00 0.00 0.00 179.25 177.76 3h1k h LYS 184 N 0.16 -0.58 -0.41 0.00 3.11 0.70 -1.18 116.57 118.37 3h1k h LYS 184 Ca 0.78 0.04 0.08 0.00 -2.81 0.00 0.00 60.65 58.74 3h1k h LYS 184 Cb 2.21 0.13 -0.08 0.00 -1.00 0.00 0.00 32.23 33.49 3h1k h LYS 184 CO -0.51 -0.38 -0.08 -0.44 -2.81 0.00 0.00 179.45 175.23 3h1k h ASP 185 N -0.60 -0.35 -0.95 4.20 3.32 0.29 -1.20 116.42 121.14 3h1k h ASP 185 Ca -0.05 0.12 0.05 0.00 0.02 0.00 0.00 57.03 57.17 3h1k h ASP 185 Cb 0.49 0.24 -0.06 0.00 0.22 0.00 0.00 39.33 40.23 3h1k h ASP 185 CO 0.02 -0.12 0.62 1.62 -1.72 0.00 0.00 179.24 179.66 3h1k h VAL 186 N 0.02 1.13 0.44 -1.35 3.04 -0.83 0.38 116.25 119.09 3h1k h VAL 186 Ca 0.20 -0.40 -0.02 0.00 -1.01 0.00 0.00 66.70 65.47 3h1k h VAL 186 Cb 0.30 -0.13 0.00 0.00 -2.01 0.00 0.00 31.29 29.46 3h1k h VAL 186 CO -0.41 0.21 -0.21 0.00 -1.01 0.00 0.00 177.57 176.15 3h1k h THR 188 N -0.73 0.45 -0.05 0.00 2.02 -0.12 0.19 112.91 114.67 3h1k h THR 188 Ca -0.06 -0.03 0.03 0.00 0.77 0.00 0.00 66.41 67.13 3h1k h THR 188 Cb 0.53 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 3h1k h THR 188 CO 0.10 0.01 -0.21 0.15 0.37 0.00 0.00 175.52 175.95 3h1k h PHE 189 N 0.08 -0.55 -0.97 3.16 3.57 -0.08 -2.22 116.94 119.93 3h1k h PHE 189 Ca 0.32 0.02 0.31 0.00 3.53 0.00 0.00 57.97 62.15 3h1k h PHE 189 Cb 0.52 0.25 -0.16 0.00 2.79 0.00 0.00 35.95 39.36 3h1k h PHE 189 CO -0.41 -0.29 0.41 -0.07 -2.23 0.00 0.00 178.31 175.72 3h1k h LEU 190 N -0.31 0.23 0.41 0.59 3.38 0.16 0.19 115.31 119.96 3h1k h LEU 190 Ca 0.07 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 3h1k h LEU 190 Cb 0.41 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3h1k h LEU 190 CO -0.23 -0.22 -0.20 -0.09 0.09 0.00 0.00 178.44 177.80 3h1k h ARG 191 N 0.20 -0.53 0.14 1.13 9.65 -0.72 -0.78 114.38 123.47 3h1k h ARG 191 Ca 0.69 0.04 0.01 0.00 -1.10 0.00 0.00 59.98 59.62 3h1k h ARG 191 Cb 1.58 0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 30.23 3h1k h ARG 191 CO -0.68 -0.28 -0.52 2.35 2.80 0.00 0.00 179.97 183.64 3h1k h TRP 192 N -0.69 -1.50 -1.07 2.20 7.01 -0.57 -0.57 115.95 120.77 3h1k h TRP 192 Ca -0.06 0.04 0.28 0.00 2.11 0.00 0.00 58.89 61.27 3h1k h TRP 192 Cb 0.49 0.64 -0.09 0.00 -2.10 0.00 0.00 29.16 28.10 3h1k h TRP 192 CO -0.02 -0.60 0.69 0.00 -2.79 0.00 0.00 178.44 175.73 3h1k h ALA 193 N -0.51 2.34 0.00 2.65 0.00 -0.69 0.20 119.26 123.26 3h1k h ALA 193 Ca -0.01 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3h1k h ALA 193 Cb 0.76 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3h1k h ALA 193 CO -0.28 -0.76 -0.57 0.00 0.00 0.00 0.00 179.25 177.65 3h1k h ALA 194 N 1.60 0.69 -0.75 0.00 0.00 0.15 -3.41 119.26 117.54 3h1k h ALA 194 Ca 0.61 -0.52 -0.34 0.00 0.00 0.00 0.00 54.91 54.65 3h1k h ALA 194 Cb 1.64 -0.09 -0.24 0.00 0.00 0.00 0.00 17.79 19.11 3h1k h ALA 194 CO -0.28 0.71 -0.72 -0.85 0.00 0.00 0.00 179.25 178.11 3h1k n GLU 195 N -3.33 0.82 -0.29 0.00 0.28 0.57 -4.90 120.64 113.78 3h1k n GLU 195 Ca 0.01 -2.34 0.13 0.00 -0.16 0.00 0.00 57.16 54.81 3h1k n GLU 195 Cb 0.72 -1.35 0.26 0.00 1.43 0.00 0.00 31.44 32.50 3h1k n GLU 195 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 3h1k n PRO 196 N 1.23 -0.07 -0.28 3.44 -0.02 -0.33 0.12 135.00 139.10 3h1k n PRO 196 Ca 0.13 1.27 0.10 0.00 -2.02 0.00 0.00 63.50 62.98 3h1k n PRO 196 Cb 0.62 -2.03 0.25 0.00 -0.02 0.00 0.00 33.50 32.31 3h1k n PRO 196 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3h1k h GLU 197 N 0.00 0.33 0.00 -0.52 9.09 -1.94 -3.34 114.58 118.19 3h1k h GLU 197 Ca 0.53 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.92 3h1k h GLU 197 Cb 1.10 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 28.13 3h1k h GLU 197 CO -0.80 0.22 0.00 1.58 0.05 0.00 0.00 179.01 180.06 3h1k n HIS 198 N -5.10 0.00 -0.02 2.06 -0.00 0.33 0.26 115.22 112.74 3h1k n HIS 198 Ca 0.18 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.35 3h1k n HIS 198 Cb 0.56 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.42 3h1k n HIS 198 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 3h1k h ASP 199 N 0.00 -0.14 -1.05 0.26 5.19 -1.83 -0.38 116.42 118.47 3h1k h ASP 199 Ca 0.00 0.02 0.27 0.00 -0.62 0.00 0.00 57.03 56.70 3h1k h ASP 199 Cb 0.00 0.06 -0.09 0.00 0.18 0.00 0.00 39.33 39.48 3h1k h ASP 199 CO 0.00 -0.02 0.68 -0.61 -3.12 0.00 0.00 179.24 176.17 3h1k h GLN 200 N -0.01 0.35 -0.65 3.56 4.15 -0.47 0.37 115.11 122.41 3h1k h GLN 200 Ca 0.01 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.34 3h1k h GLN 200 Cb 0.03 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 3h1k h GLN 200 CO -0.06 0.23 0.15 -0.09 -1.93 0.00 0.00 178.83 177.13 3h1k h ARG 201 N 0.36 1.05 -0.20 1.69 1.12 -0.64 -0.16 114.38 117.60 3h1k h ARG 201 Ca 0.59 -0.26 -0.17 0.00 -1.11 0.00 0.00 59.98 59.04 3h1k h ARG 201 Cb 1.56 -0.13 -0.00 0.00 -0.01 0.00 0.00 29.97 31.38 3h1k h ARG 201 CO -0.28 0.95 -0.56 0.87 -3.11 0.00 0.00 179.97 177.83 3h1k h LYS 202 N 0.97 0.61 -0.57 0.20 1.57 0.75 -0.54 116.57 119.56 3h1k h LYS 202 Ca 0.20 -0.39 0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3h1k h LYS 202 Cb 0.38 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 3h1k h LYS 202 CO 0.00 1.01 0.38 -0.09 -0.57 0.00 0.00 179.45 180.18 3h1k h ARG 203 N 0.47 0.72 0.28 3.15 2.43 -0.54 -1.80 114.38 119.08 3h1k h ARG 203 Ca 0.01 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3h1k h ARG 203 Cb 1.12 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3h1k h ARG 203 CO 0.11 0.48 -0.13 0.52 -1.51 0.00 0.00 179.97 179.43 3h1k h MET 204 N 0.74 -0.36 -0.95 0.20 2.86 -0.52 -2.90 114.93 113.99 3h1k h MET 204 Ca 0.22 0.02 0.27 0.00 -2.06 0.00 0.00 59.70 58.15 3h1k h MET 204 Cb -0.03 0.08 -0.18 0.00 0.06 0.00 0.00 31.60 31.54 3h1k h MET 204 CO -0.05 -0.02 0.04 0.41 1.06 0.00 0.00 176.91 178.34 3h1k n GLY 205 N -0.07 -1.28 0.14 8.32 0.00 -0.25 0.36 105.19 112.41 3h1k n GLY 205 Ca -0.09 0.93 -0.05 0.00 0.00 0.00 0.00 46.02 46.81 3h1k n GLY 205 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3h1k h LEU 206 N 0.00 -0.36 -0.82 0.99 5.85 -1.29 0.33 115.31 120.00 3h1k h LEU 206 Ca 0.58 0.03 0.19 0.00 0.84 0.00 0.00 57.88 59.52 3h1k h LEU 206 Cb 1.22 0.11 -0.15 0.00 0.37 0.00 0.00 40.66 42.21 3h1k h LEU 206 CO -0.89 -0.19 -0.06 0.11 -0.34 0.00 0.00 178.44 177.07 3h1k h LYS 207 N -0.29 0.05 -0.67 1.25 1.57 -0.54 0.21 116.57 118.15 3h1k h LYS 207 Ca -0.02 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3h1k h LYS 207 Cb 0.25 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 3h1k h LYS 207 CO 0.00 0.03 0.42 1.98 -0.57 0.00 0.00 179.45 181.31 3h1k h MET 208 N 0.05 0.81 -0.61 3.15 4.05 0.21 -0.94 114.93 121.65 3h1k h MET 208 Ca 0.44 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.76 3h1k h MET 208 Cb 0.78 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 31.37 3h1k h MET 208 CO -0.78 0.53 0.16 -0.07 0.23 0.00 0.00 176.91 176.98 3h1k h LEU 209 N 0.83 0.88 0.41 3.39 3.38 0.28 0.01 115.31 124.50 3h1k h LEU 209 Ca 0.26 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3h1k h LEU 209 Cb -0.01 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3h1k h LEU 209 CO -0.09 0.85 -0.20 -0.07 0.09 0.00 0.00 178.44 179.01 3h1k h LEU 210 N 0.90 -0.47 -0.33 1.67 3.38 -0.73 -0.95 115.31 118.78 3h1k h LEU 210 Ca 0.20 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.23 3h1k h LEU 210 Cb 0.31 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 3h1k h LEU 210 CO -0.00 -0.22 -0.53 0.40 0.09 0.00 0.00 178.44 178.17 3h1k h ILE 211 N -0.79 0.02 0.00 1.22 1.08 -1.23 -1.88 117.51 115.92 3h1k h ILE 211 Ca -0.06 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 3h1k h ILE 211 Cb 0.43 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.20 3h1k h ILE 211 CO 0.09 0.00 0.00 -0.24 -0.69 0.00 0.00 178.15 177.31 3h1k n SER 212 N -5.40 0.00 -0.25 1.72 2.88 -0.01 -0.48 113.62 112.08 3h1k n SER 212 Ca -0.04 0.79 0.02 0.00 -1.33 0.00 0.00 58.87 58.31 3h1k n SER 212 Cb 0.35 -0.37 0.10 0.00 -0.75 0.00 0.00 64.21 63.54 3h1k n SER 212 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h1k h ALA 213 N -0.94 0.53 -0.01 -1.46 0.00 -0.78 0.28 119.26 116.87 3h1k h ALA 213 Ca 0.00 0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3h1k h ALA 213 Cb 0.00 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3h1k h ALA 213 CO 0.00 -0.42 0.01 1.25 0.00 0.00 0.00 179.25 180.09 3h1k h LEU 214 N 0.01 0.01 -1.56 0.00 5.85 -0.43 -2.19 115.31 117.01 3h1k h LEU 214 Ca 0.36 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 3h1k h LEU 214 Cb 0.57 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 3h1k h LEU 214 CO -0.74 0.12 -0.19 0.25 -0.34 0.00 0.00 178.44 177.54 3h1k h LEU 215 N -0.09 0.00 0.01 2.25 5.85 0.05 -1.35 115.31 122.02 3h1k h LEU 215 Ca 0.00 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.58 3h1k h LEU 215 Cb 0.10 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.15 3h1k h LEU 215 CO -0.00 0.19 -0.58 0.74 -0.34 0.00 0.00 178.44 178.45 3h1k h THR 216 N 0.00 1.45 0.35 1.05 2.02 -0.90 -2.45 112.91 114.43 3h1k h THR 216 Ca -0.00 -2.10 -0.00 0.00 0.77 0.00 0.00 66.41 65.07 3h1k h THR 216 Cb 0.52 2.66 -0.03 0.00 -1.74 0.00 0.00 68.15 69.56 3h1k h THR 216 CO 0.02 0.61 -0.49 0.28 0.37 0.00 0.00 175.52 176.31 3h1k h SER 217 N -0.17 -1.40 -0.58 4.18 0.02 -1.03 0.37 113.55 114.95 3h1k h SER 217 Ca -0.07 0.13 0.08 0.00 -0.84 0.00 0.00 61.79 61.08 3h1k h SER 217 Cb 1.31 0.48 -0.10 0.00 0.14 0.00 0.00 62.40 64.23 3h1k h SER 217 CO 0.11 -0.60 -0.50 -0.07 -1.14 0.00 0.00 176.83 174.63 3h1k h LEU 218 N -0.88 -1.72 -0.76 5.07 3.38 -1.33 -0.45 115.31 118.62 3h1k h LEU 218 Ca -0.04 0.26 0.14 0.00 0.09 0.00 0.00 57.88 58.33 3h1k h LEU 218 Cb 0.79 0.75 -0.10 0.00 0.09 0.00 0.00 40.66 42.20 3h1k h LEU 218 CO -0.14 -0.35 0.31 -0.07 0.09 0.00 0.00 178.44 178.28 3h1k h LEU 219 N -0.26 0.29 -1.03 1.67 3.38 -1.14 -0.60 115.31 117.62 3h1k h LEU 219 Ca 0.14 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.30 3h1k h LEU 219 Cb 0.56 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.32 3h1k h LEU 219 CO -0.70 0.11 0.64 0.22 0.09 0.00 0.00 178.44 178.80 3h1k h TYR 220 N 0.45 1.17 0.57 1.13 5.03 0.72 0.26 116.97 126.30 3h1k h TYR 220 Ca 0.42 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.73 3h1k h TYR 220 Cb 0.63 -0.38 0.01 0.00 1.55 0.00 0.00 36.73 38.54 3h1k h TYR 220 CO -0.16 0.57 -0.28 -0.92 -1.32 0.00 0.00 178.16 176.05 3h1k h TYR 221 N 1.12 -0.71 -1.03 -3.82 3.20 -0.39 -1.63 116.97 113.71 3h1k h TYR 221 Ca 0.44 -0.02 0.26 0.00 3.14 0.00 0.00 58.73 62.56 3h1k h TYR 221 Cb 0.25 0.24 -0.12 0.00 1.54 0.00 0.00 36.73 38.64 3h1k h TYR 221 CO -0.00 -0.44 0.62 0.52 -1.64 0.00 0.00 178.16 177.22 3h1k h MET 222 N -0.79 0.48 0.24 1.82 2.86 -1.06 0.92 114.93 119.39 3h1k h MET 222 Ca -0.08 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3h1k h MET 222 Cb 0.59 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3h1k h MET 222 CO 0.13 0.31 -0.12 -0.22 1.06 0.00 0.00 176.91 178.08 3h1k h LYS 223 N 0.49 -0.31 0.30 1.72 3.11 -0.38 -2.12 116.57 119.38 3h1k h LYS 223 Ca 0.65 0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 58.50 3h1k h LYS 223 Cb 1.39 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.68 3h1k h LYS 223 CO -0.44 -0.09 -0.21 0.00 -2.81 0.00 0.00 179.45 175.91 3h1k h ARG 224 N -0.49 -0.48 -0.00 1.90 2.47 0.21 -0.73 114.38 117.25 3h1k h ARG 224 Ca -0.03 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3h1k h ARG 224 Cb 0.37 0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.80 3h1k h ARG 224 CO 0.05 -0.32 -0.00 1.58 0.56 0.00 0.00 179.97 181.84 3h1k n HIS 225 N -5.33 -0.00 0.03 3.04 -0.00 0.29 0.13 115.22 113.37 3h1k n HIS 225 Ca -0.09 0.01 -0.13 0.00 0.46 0.00 0.00 57.72 57.96 3h1k n HIS 225 Cb 0.24 -0.50 -0.07 0.00 -0.12 0.00 0.00 29.99 29.54 3h1k n HIS 225 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 3h1k h LYS 226 N 0.00 -0.54 -0.20 1.57 1.79 -1.34 -1.25 116.57 116.60 3h1k h LYS 226 Ca 0.00 0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.57 3h1k h LYS 226 Cb 0.00 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 3h1k h LYS 226 CO -0.00 -0.36 0.24 -1.49 -1.08 0.00 0.00 179.45 176.76 3h1k h TRP 227 N -0.56 0.00 -0.91 -1.35 4.06 -0.07 -2.91 115.95 114.21 3h1k h TRP 227 Ca 0.05 0.00 0.11 0.00 2.06 0.00 0.00 58.89 61.11 3h1k h TRP 227 Cb 0.66 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 28.69 3h1k h TRP 227 CO -0.48 0.00 -0.44 -1.13 -3.56 0.00 0.00 178.44 172.82 3h1k n SER 228 N -3.68 -0.77 -0.26 -3.49 3.41 0.35 0.13 113.62 109.30 3h1k n SER 228 Ca 0.02 1.60 0.25 0.00 -0.26 0.00 0.00 58.87 60.48 3h1k n SER 228 Cb 0.37 -0.29 0.44 0.00 -0.26 0.00 0.00 64.21 64.47 3h1k n SER 228 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3h1k n VAL 229 N -5.24 -0.27 -0.09 -3.33 0.31 -1.10 0.01 118.33 108.62 3h1k n VAL 229 Ca 0.06 1.43 -0.18 0.00 -0.01 0.00 0.00 64.34 65.64 3h1k n VAL 229 Cb 0.30 -2.33 -0.11 0.00 -0.91 0.00 0.00 33.84 30.80 3h1k n VAL 229 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3h1k h LEU 230 N 0.00 0.00 -2.36 7.52 3.38 -0.55 -3.17 115.31 120.13 3h1k h LEU 230 Ca 0.62 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3h1k h LEU 230 Cb 1.74 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.49 3h1k h LEU 230 CO -0.50 1.27 -0.03 0.11 0.09 0.00 0.00 178.44 179.38 3h1k h LYS 231 N -1.00 0.00 0.00 1.13 1.57 -0.22 -1.64 116.57 116.42 3h1k h LYS 231 Ca -0.22 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.45 3h1k h LYS 231 Cb 1.12 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 3h1k h LYS 231 CO -0.13 0.03 -1.18 0.66 -0.57 0.00 0.00 179.45 178.27 3h1k h SER 232 N 0.00 0.00 -2.07 0.86 4.64 -0.58 -3.48 113.55 112.92 3h1k h SER 232 Ca -0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 3h1k h SER 232 Cb 0.18 0.00 0.18 0.00 -0.31 0.00 0.00 62.40 62.44 3h1k h SER 232 CO 0.00 0.42 -1.07 -1.14 -0.87 0.00 0.00 176.83 174.18 3h1k n ARG 233 N -2.89 0.05 -3.91 4.77 0.63 -0.62 -5.03 116.66 109.66 3h1k n ARG 233 Ca -0.06 0.02 -0.13 0.00 -0.92 0.00 0.00 57.85 56.76 3h1k n ARG 233 Cb 0.75 -1.06 -0.14 0.00 0.45 0.00 0.00 32.46 32.46 3h1k n ARG 233 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3h1k s LYS 234 N -1.10 0.07 0.06 -0.14 1.02 -1.26 -5.06 119.74 113.33 3h1k s LYS 234 Ca 0.58 -0.02 0.02 0.00 0.02 0.00 0.00 55.97 56.57 3h1k s LYS 234 Cb -0.50 -0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 36.70 3h1k s LYS 234 CO 0.65 0.01 -0.07 0.00 -0.92 0.00 0.00 175.35 175.02 3h1k s MET 235 N 0.02 0.62 0.02 1.68 0.23 -1.26 -5.15 119.30 115.46 3h1k s MET 235 Ca -0.00 -0.95 0.00 0.00 -1.03 0.00 0.00 55.69 53.71 3h1k s MET 235 Cb -0.01 -0.22 -0.02 0.00 -1.53 0.00 0.00 34.83 33.05 3h1k s MET 235 CO -0.00 0.02 -0.04 0.00 -2.03 0.00 0.00 175.02 172.97 3h1k s ALA 236 N -2.20 0.19 -0.59 3.16 0.00 -1.26 -5.11 121.76 115.96 3h1k s ALA 236 Ca -0.03 -0.59 -0.09 0.00 0.00 0.00 0.00 51.96 51.25 3h1k s ALA 236 Cb -0.04 0.12 0.15 0.00 0.00 0.00 0.00 23.12 23.35 3h1k s ALA 236 CO -0.02 -0.13 0.47 -0.47 0.00 0.00 0.00 175.76 175.61 3h1k s TYR 237 N -1.38 3.49 -0.78 0.00 5.04 -1.26 -5.01 117.35 117.45 3h1k s TYR 237 Ca -0.14 -2.10 -0.04 0.00 -2.44 0.00 0.00 57.07 52.34 3h1k s TYR 237 Cb -0.10 -3.50 0.20 0.00 0.35 0.00 0.00 41.96 38.91 3h1k s TYR 237 CO -0.01 -0.96 0.65 1.03 -1.34 0.00 0.00 175.55 174.93 3h1k s ARG 238 N 0.74 3.08 1.25 4.97 0.52 -1.26 -5.08 118.95 123.18 3h1k s ARG 238 Ca 0.11 -2.85 -0.21 0.00 -0.52 0.00 0.00 55.73 52.26 3h1k s ARG 238 Cb -0.21 -3.96 0.31 0.00 0.52 0.00 0.00 34.95 31.61 3h1k s ARG 238 CO -0.03 -1.23 1.10 -1.25 0.02 0.00 0.00 175.30 173.91 3h1k s PRO 239 N -0.60 -1.64 0.21 3.54 0.04 -1.26 -4.99 135.00 130.30 3h1k s PRO 239 Ca 0.22 -0.15 0.17 0.00 0.04 0.00 0.00 61.00 61.28 3h1k s PRO 239 Cb -0.13 -1.56 0.01 0.00 0.04 0.00 0.00 34.50 32.86 3h1k s PRO 239 CO -0.08 -3.97 1.19 -1.35 0.04 0.00 0.00 177.00 172.84 3h1k h PRO 240 N -2.76 0.00 0.00 0.56 0.11 -2.07 -3.57 132.00 124.27 3h1k h PRO 240 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3h1k h PRO 240 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3h1k h PRO 240 CO 0.29 0.33 0.00 1.63 -0.21 0.00 0.00 178.00 180.04