#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjf h ILE 5 N 0.00 1.30 0.00 7.28 2.04 -1.97 -2.98 117.51 123.18 1rjf h ILE 5 Ca 0.00 -1.63 -0.02 0.00 1.00 0.00 0.00 64.86 64.21 1rjf h ILE 5 Cb 0.00 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1rjf h ILE 5 CO 0.00 0.51 -0.11 1.56 0.00 0.00 0.00 178.15 180.12 1rjf h GLN 6 N 0.47 0.00 0.00 2.37 4.20 -2.02 -3.12 115.11 117.00 1rjf h GLN 6 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1rjf h GLN 6 Cb 0.96 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1rjf h GLN 6 CO 0.09 0.11 -0.02 1.04 -0.67 0.00 0.00 178.83 179.38 1rjf n GLN 7 N -3.18 0.12 0.23 1.46 6.02 -1.13 -2.98 117.38 117.92 1rjf n GLN 7 Ca 0.02 0.09 0.15 0.00 -0.01 0.00 0.00 57.00 57.26 1rjf n GLN 7 Cb 0.46 -1.63 0.60 0.00 1.02 0.00 0.00 30.24 30.68 1rjf n GLN 7 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1rjf h THR 8 N 0.00 0.00 0.00 5.09 1.35 -1.53 -2.73 112.91 115.10 1rjf h THR 8 Ca 0.00 -0.46 -0.08 0.00 -0.55 0.00 0.00 66.41 65.32 1rjf h THR 8 Cb 0.61 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 68.41 1rjf h THR 8 CO 0.00 0.00 -0.38 -0.78 -0.25 0.00 0.00 175.52 174.11 1rjf h ASP 9 N 0.00 0.00 0.60 5.36 3.58 -1.73 -2.84 116.42 121.38 1rjf h ASP 9 Ca 0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 1rjf h ASP 9 Cb 0.51 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 1rjf h ASP 9 CO 0.00 0.38 -0.20 1.88 -2.88 0.00 0.00 179.24 178.42 1rjf h TYR 10 N 0.00 0.00 -0.09 0.28 0.99 -1.67 -0.64 116.97 115.84 1rjf h TYR 10 Ca -0.00 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.51 1rjf h TYR 10 Cb 0.83 0.00 0.01 0.00 1.00 0.00 0.00 36.73 38.57 1rjf h TYR 10 CO 0.00 0.20 -0.83 -0.44 -0.00 0.00 0.00 178.16 177.10 1rjf h ASP 11 N 0.00 0.77 0.45 3.88 5.19 -1.62 -2.58 116.42 122.51 1rjf h ASP 11 Ca -0.00 -0.54 -0.11 0.00 -0.62 0.00 0.00 57.03 55.76 1rjf h ASP 11 Cb 0.56 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 1rjf h ASP 11 CO 0.03 1.32 -0.49 0.00 -3.12 0.00 0.00 179.24 176.98 1rjf h ALA 12 N 0.65 1.15 0.00 3.45 0.00 -1.28 -2.45 119.26 120.79 1rjf h ALA 12 Ca -0.06 -0.45 -0.15 0.00 0.00 0.00 0.00 54.91 54.24 1rjf h ALA 12 Cb 1.45 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1rjf h ALA 12 CO 0.16 0.62 -0.91 1.25 0.00 0.00 0.00 179.25 180.37 1rjf h LEU 13 N 0.04 0.00 -0.61 0.00 5.85 -1.21 -2.86 115.31 116.53 1rjf h LEU 13 Ca -0.00 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 1rjf h LEU 13 Cb 0.88 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1rjf h LEU 13 CO 0.07 0.65 -0.59 0.28 -0.34 0.00 0.00 178.44 178.50 1rjf h SER 14 N 0.00 0.39 -0.25 1.25 0.02 -1.34 -2.54 113.55 111.08 1rjf h SER 14 Ca -0.06 -0.22 -0.18 0.00 -0.84 0.00 0.00 61.79 60.49 1rjf h SER 14 Cb 1.55 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.98 1rjf h SER 14 CO 0.07 0.89 -0.55 0.00 -1.14 0.00 0.00 176.83 176.10 1rjf h LYS 16 N 0.58 0.78 0.00 0.00 1.63 -1.48 -2.38 116.57 115.70 1rjf h LYS 16 Ca 0.00 -0.32 -0.01 0.00 -0.85 0.00 0.00 60.65 59.48 1rjf h LYS 16 Cb 1.16 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.76 1rjf h LYS 16 CO 0.12 0.93 -0.04 -0.07 -3.45 0.00 0.00 179.45 176.94 1rjf h LEU 17 N 0.58 0.00 -0.10 5.20 3.38 -1.55 -2.61 115.31 120.21 1rjf h LEU 17 Ca 0.09 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.88 1rjf h LEU 17 Cb 0.67 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1rjf h LEU 17 CO 0.05 0.04 -0.88 0.00 0.09 0.00 0.00 178.44 177.73 1rjf h ALA 18 N 1.96 0.47 0.08 1.53 0.00 -1.38 -2.73 119.26 119.19 1rjf h ALA 18 Ca -0.00 -0.80 -0.26 0.00 0.00 0.00 0.00 54.91 53.85 1rjf h ALA 18 Cb 0.94 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1rjf h ALA 18 CO 0.01 1.10 -1.13 0.00 0.00 0.00 0.00 179.25 179.23 1rjf h ALA 19 N 1.12 0.17 -0.08 0.00 0.00 -1.34 -3.02 119.26 116.11 1rjf h ALA 19 Ca -0.01 -0.79 -0.15 0.00 0.00 0.00 0.00 54.91 53.96 1rjf h ALA 19 Cb 1.63 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1rjf h ALA 19 CO 0.11 0.83 -0.62 0.82 0.00 0.00 0.00 179.25 180.39 1rjf h ILE 20 N 0.19 1.38 -0.21 0.00 2.04 -1.54 -1.26 117.51 118.10 1rjf h ILE 20 Ca -0.13 -2.00 -0.17 0.00 1.00 0.00 0.00 64.86 63.56 1rjf h ILE 20 Cb 1.80 2.01 -0.00 0.00 -0.74 0.00 0.00 36.82 39.89 1rjf h ILE 20 CO 0.20 0.60 -0.54 -1.28 0.00 0.00 0.00 178.15 177.12 1rjf h SER 21 N 0.22 0.71 1.48 1.72 0.87 -1.56 -2.96 113.55 114.02 1rjf h SER 21 Ca -0.01 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1rjf h SER 21 Cb 1.15 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1rjf h SER 21 CO 0.10 1.11 0.00 0.58 -0.53 0.00 0.00 176.83 178.09 1rjf h VAL 22 N 0.49 0.00 0.00 2.23 2.07 -1.50 -3.47 116.25 116.06 1rjf h VAL 22 Ca 0.01 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1rjf h VAL 22 Cb 1.10 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1rjf h VAL 22 CO 0.11 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.31 1rjf n GLY 23 N 1.09 0.23 0.29 2.17 0.00 -0.84 -4.79 105.19 103.34 1rjf n GLY 23 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.13 1rjf n GLY 23 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1rjf h TYR 24 N 0.00 0.68 -3.42 1.61 0.99 -1.52 -3.40 116.97 111.90 1rjf h TYR 24 Ca 0.00 0.03 -0.65 0.00 2.00 0.00 0.00 58.73 60.11 1rjf h TYR 24 Cb 0.00 -0.18 -0.16 0.00 1.00 0.00 0.00 36.73 37.39 1rjf h TYR 24 CO 0.00 0.15 -0.74 -0.51 -0.00 0.00 0.00 178.16 177.06 1rjf s LEU 25 N -10.38 2.97 0.31 3.88 1.43 -1.13 -4.10 118.68 111.65 1rjf s LEU 25 Ca -0.12 -0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 52.30 1rjf s LEU 25 Cb 0.21 -1.74 -0.09 0.00 0.03 0.00 0.00 46.19 44.59 1rjf s LEU 25 CO 0.77 0.15 0.83 -2.16 0.23 0.00 0.00 176.35 176.17 1rjf s PRO 26 N -2.39 4.29 -0.41 1.29 0.04 -1.26 -4.26 135.00 132.30 1rjf s PRO 26 Ca 0.22 1.00 -0.19 0.00 0.04 0.00 0.00 61.00 62.06 1rjf s PRO 26 Cb -0.10 -2.65 0.02 0.00 0.04 0.00 0.00 34.50 31.80 1rjf s PRO 26 CO 0.14 0.24 0.57 0.45 0.04 0.00 0.00 177.00 178.44 1rjf s SER 27 N -1.86 6.30 0.47 6.66 0.15 -1.26 -4.95 113.70 119.21 1rjf s SER 27 Ca 0.50 -0.31 0.25 0.00 0.70 0.00 0.00 55.95 57.10 1rjf s SER 27 Cb -0.15 -2.29 1.12 0.00 -1.71 0.00 0.00 66.02 62.99 1rjf s SER 27 CO 0.20 -0.65 1.91 0.77 1.20 0.00 0.00 173.24 176.67 1rjf h SER 28 N 8.72 0.00 0.10 5.45 4.64 -1.95 -2.60 113.55 127.91 1rjf h SER 28 Ca -0.26 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 1rjf h SER 28 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1rjf h SER 28 CO 0.84 0.19 -0.05 1.23 -0.87 0.00 0.00 176.83 178.17 1rjf h GLY 29 N 1.62 -0.14 1.12 -0.77 0.00 -1.92 -2.70 103.07 100.28 1rjf h GLY 29 Ca -0.00 0.05 -0.22 0.00 0.00 0.00 0.00 47.33 47.16 1rjf h GLY 29 CO 0.02 -0.05 -0.82 1.41 0.00 0.00 0.00 176.54 177.10 1rjf h LEU 30 N -0.99 0.88 -0.01 3.11 3.38 -1.97 -3.07 115.31 116.64 1rjf h LEU 30 Ca -0.01 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1rjf h LEU 30 Cb 0.39 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1rjf h LEU 30 CO 0.02 1.42 0.00 0.00 0.09 0.00 0.00 178.44 179.97 1rjf n GLN 31 N -3.96 0.06 -3.54 1.13 6.02 -0.98 -4.56 117.38 111.54 1rjf n GLN 31 Ca -0.09 0.06 -0.20 0.00 -0.01 0.00 0.00 57.00 56.75 1rjf n GLN 31 Cb 0.77 -1.57 0.08 0.00 1.02 0.00 0.00 30.24 30.54 1rjf n GLN 31 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1rjf n ARG 32 N -1.67 -6.82 -3.55 -1.09 1.74 -1.09 -4.99 116.66 99.19 1rjf n ARG 32 Ca 0.07 0.80 -0.34 0.00 -0.77 0.00 0.00 57.85 57.61 1rjf n ARG 32 Cb 0.35 -5.78 -0.05 0.00 -1.02 0.00 0.00 32.46 25.96 1rjf n ARG 32 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1rjf s LEU 33 N -6.76 4.33 0.00 0.55 1.43 -1.04 -5.04 118.68 112.15 1rjf s LEU 33 Ca 0.23 0.81 -0.03 0.00 -1.03 0.00 0.00 54.13 54.11 1rjf s LEU 33 Cb -0.10 -3.09 0.04 0.00 0.03 0.00 0.00 46.19 43.07 1rjf s LEU 33 CO 0.74 0.14 0.19 -1.54 0.23 0.00 0.00 176.35 176.12 1rjf n SER 34 N 0.75 -0.33 0.02 2.29 3.41 -1.26 -4.77 113.62 113.73 1rjf n SER 34 Ca -0.07 -0.93 -0.15 0.00 -0.26 0.00 0.00 58.87 57.46 1rjf n SER 34 Cb 0.52 -0.15 -0.04 0.00 -0.26 0.00 0.00 64.21 64.28 1rjf n SER 34 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1rjf h VAL 35 N -1.29 1.33 0.00 -3.33 2.07 -1.99 -1.97 116.25 111.07 1rjf h VAL 35 Ca -0.06 -2.13 -0.15 0.00 0.82 0.00 0.00 66.70 65.17 1rjf h VAL 35 Cb 0.18 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 1rjf h VAL 35 CO 0.04 0.66 -0.71 0.44 0.02 0.00 0.00 177.57 178.02 1rjf h ASP 36 N 0.39 0.00 0.83 0.57 3.32 -1.99 -3.01 116.42 116.53 1rjf h ASP 36 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1rjf h ASP 36 Cb 1.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.99 1rjf h ASP 36 CO 0.15 0.71 -0.76 -0.07 -1.72 0.00 0.00 179.24 177.56 1rjf h LEU 37 N 0.00 0.00 0.24 1.55 3.38 -1.92 -1.85 115.31 116.71 1rjf h LEU 37 Ca -0.01 -0.19 -0.34 0.00 0.09 0.00 0.00 57.88 57.43 1rjf h LEU 37 Cb 1.55 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.33 1rjf h LEU 37 CO 0.09 0.10 -1.50 0.28 0.09 0.00 0.00 178.44 177.50 1rjf h SER 38 N 0.00 0.79 -0.33 -0.43 0.02 -1.43 -1.78 113.55 110.39 1rjf h SER 38 Ca 0.00 -0.88 -0.10 0.00 -0.84 0.00 0.00 61.79 59.97 1rjf h SER 38 Cb 0.80 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 1rjf h SER 38 CO 0.00 1.69 -0.16 0.50 -1.14 0.00 0.00 176.83 177.72 1rjf h LYS 39 N 0.14 0.78 0.00 3.45 3.64 -1.60 -3.13 116.57 119.85 1rjf h LYS 39 Ca -0.26 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1rjf h LYS 39 Cb 2.15 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.92 1rjf h LYS 39 CO 0.26 0.89 -0.16 0.87 -2.27 0.00 0.00 179.45 179.04 1rjf h LYS 40 N 0.70 0.00 -0.28 1.90 1.57 -1.41 -2.71 116.57 116.33 1rjf h LYS 40 Ca 0.11 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1rjf h LYS 40 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1rjf h LYS 40 CO 0.05 0.00 0.02 -0.92 -0.57 0.00 0.00 179.45 178.03 1rjf h TYR 41 N 0.00 0.53 0.10 -1.35 3.20 -1.27 -1.51 116.97 116.67 1rjf h TYR 41 Ca 0.00 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 1rjf h TYR 41 Cb 1.00 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.13 1rjf h TYR 41 CO 0.00 0.61 -0.05 1.15 -1.64 0.00 0.00 178.16 178.24 1rjf h THR 42 N 0.29 1.00 0.00 1.81 2.02 -1.57 -3.15 112.91 113.31 1rjf h THR 42 Ca 0.08 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 1rjf h THR 42 Cb 0.39 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1rjf h THR 42 CO 0.01 0.09 -0.17 -0.33 0.37 0.00 0.00 175.52 175.49 1rjf h GLU 43 N -0.30 0.00 -0.00 6.66 5.08 -1.43 -1.63 114.58 122.95 1rjf h GLU 43 Ca -0.01 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.09 1rjf h GLU 43 Cb 0.25 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.52 1rjf h GLU 43 CO 0.02 0.17 -1.01 -1.49 -1.00 0.00 0.00 179.01 175.70 1rjf h TRP 44 N 0.00 0.93 0.00 4.33 6.55 -1.32 -2.75 115.95 123.69 1rjf h TRP 44 Ca -0.00 -0.50 -0.08 0.00 0.95 0.00 0.00 58.89 59.26 1rjf h TRP 44 Cb 0.38 -0.11 -0.01 0.00 -0.86 0.00 0.00 29.16 28.56 1rjf h TRP 44 CO 0.00 1.34 -0.36 0.45 -1.05 0.00 0.00 178.44 178.82 1rjf h HIS 45 N 0.36 0.00 -0.13 0.49 3.86 -1.41 -2.41 115.15 115.91 1rjf h HIS 45 Ca -0.11 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.87 1rjf h HIS 45 Cb 1.66 0.00 0.01 0.00 1.06 0.00 0.00 27.41 30.14 1rjf h HIS 45 CO 0.09 0.36 -0.80 0.00 0.86 0.00 0.00 177.93 178.44 1rjf h ARG 46 N 0.00 0.78 0.00 2.45 3.08 -1.32 -3.05 114.38 116.31 1rjf h ARG 46 Ca -0.00 -0.66 0.00 0.00 0.07 0.00 0.00 59.98 59.39 1rjf h ARG 46 Cb 0.96 0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1rjf h ARG 46 CO 0.05 1.26 0.00 0.45 -1.07 0.00 0.00 179.97 180.66 1rjf n SER 47 N -3.94 0.69 0.08 7.04 2.88 -1.04 -2.46 113.62 116.86 1rjf n SER 47 Ca -0.08 0.59 -0.10 0.00 -1.33 0.00 0.00 58.87 57.95 1rjf n SER 47 Cb 0.76 -0.76 -0.11 0.00 -0.75 0.00 0.00 64.21 63.34 1rjf n SER 47 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1rjf h TYR 48 N 0.00 0.18 0.11 0.66 3.20 -1.40 -2.79 116.97 116.93 1rjf h TYR 48 Ca 0.00 -0.13 -0.30 0.00 3.14 0.00 0.00 58.73 61.45 1rjf h TYR 48 Cb 0.61 -0.01 0.03 0.00 1.54 0.00 0.00 36.73 38.90 1rjf h TYR 48 CO 0.00 1.08 -1.23 1.25 -1.64 0.00 0.00 178.16 177.62 1rjf h LEU 49 N 0.03 0.85 -0.58 2.82 5.85 -1.42 -2.55 115.31 120.33 1rjf h LEU 49 Ca -0.05 -0.79 -0.14 0.00 0.84 0.00 0.00 57.88 57.75 1rjf h LEU 49 Cb 1.80 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 1rjf h LEU 49 CO 0.15 1.59 -0.32 0.40 -0.34 0.00 0.00 178.44 179.92 1rjf h ILE 50 N 0.27 1.28 0.00 4.05 2.04 -1.60 -2.82 117.51 120.73 1rjf h ILE 50 Ca -0.18 -1.47 -0.11 0.00 1.00 0.00 0.00 64.86 64.10 1rjf h ILE 50 Cb 1.91 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 39.31 1rjf h ILE 50 CO 0.23 0.49 -0.53 0.74 0.00 0.00 0.00 178.15 179.08 1rjf h THR 51 N 0.67 1.16 0.00 -0.27 2.02 -1.59 -2.93 112.91 111.96 1rjf h THR 51 Ca 0.07 -1.96 -0.08 0.00 0.77 0.00 0.00 66.41 65.21 1rjf h THR 51 Cb 0.86 2.13 -0.01 0.00 -1.74 0.00 0.00 68.15 69.38 1rjf h THR 51 CO 0.08 0.52 -0.40 0.25 0.37 0.00 0.00 175.52 176.33 1rjf h LEU 52 N 0.00 0.00 -0.45 2.58 5.85 -1.28 -2.63 115.31 119.38 1rjf h LEU 52 Ca -0.01 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 1rjf h LEU 52 Cb 1.08 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 1rjf h LEU 52 CO 0.07 0.40 -0.52 0.50 -0.34 0.00 0.00 178.44 178.55 1rjf h LYS 53 N 0.00 0.70 -0.03 1.25 3.64 -1.33 -1.59 116.57 119.21 1rjf h LYS 53 Ca -0.00 -0.42 -0.06 0.00 -1.27 0.00 0.00 60.65 58.89 1rjf h LYS 53 Cb 0.74 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1rjf h LYS 53 CO 0.05 1.04 -0.26 -0.22 -2.27 0.00 0.00 179.45 177.80 1rjf h LYS 54 N 0.54 0.05 0.00 1.90 3.64 -1.35 -3.13 116.57 118.23 1rjf h LYS 54 Ca 0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1rjf h LYS 54 Cb 1.09 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1rjf h LYS 54 CO 0.11 0.31 -1.11 1.19 -2.27 0.00 0.00 179.45 177.68 1rjf n PHE 55 N -4.21 0.00 -3.58 1.91 3.72 -1.02 -4.96 117.46 109.32 1rjf n PHE 55 Ca -0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.36 1rjf n PHE 55 Cb 0.32 -0.06 -0.06 0.00 -0.94 0.00 0.00 39.48 38.74 1rjf n PHE 55 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1rjf s SER 56 N -3.18 -0.61 0.07 4.37 0.15 -0.60 -5.02 113.70 108.86 1rjf s SER 56 Ca 0.06 0.93 0.05 0.00 0.70 0.00 0.00 55.95 57.69 1rjf s SER 56 Cb 0.16 1.41 -0.23 0.00 -1.71 0.00 0.00 66.02 65.65 1rjf s SER 56 CO 0.87 -0.14 1.09 -0.09 1.20 0.00 0.00 173.24 176.17 1rjf h ARG 57 N 6.66 0.07 -0.12 5.44 2.43 -1.82 -3.12 114.38 123.93 1rjf h ARG 57 Ca -0.24 -0.13 -0.21 0.00 -0.81 0.00 0.00 59.98 58.59 1rjf h ARG 57 Cb 1.17 0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1rjf h ARG 57 CO 0.16 0.95 -0.75 -0.09 -1.51 0.00 0.00 179.97 178.73 1rjf h ARG 58 N 0.02 0.71 -0.30 0.20 2.43 -1.95 -1.93 114.38 113.57 1rjf h ARG 58 Ca -0.11 -0.61 -0.17 0.00 -0.81 0.00 0.00 59.98 58.27 1rjf h ARG 58 Cb 1.88 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 31.56 1rjf h ARG 58 CO 0.14 1.22 -0.49 0.00 -1.51 0.00 0.00 179.97 179.32 1rjf h ALA 59 N 0.50 0.56 0.00 2.80 0.00 -1.89 -2.67 119.26 118.56 1rjf h ALA 59 Ca -0.06 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 1rjf h ALA 59 Cb 1.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1rjf h ALA 59 CO 0.15 0.68 -0.26 0.35 0.00 0.00 0.00 179.25 180.17 1rjf h PHE 60 N 0.65 0.00 -0.13 0.00 3.57 -1.62 -2.70 116.94 116.70 1rjf h PHE 60 Ca 0.03 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.33 1rjf h PHE 60 Cb 1.08 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1rjf h PHE 60 CO 0.06 0.26 -0.72 0.78 -2.23 0.00 0.00 178.31 176.47 1rjf h GLY 61 N 2.11 0.65 1.78 2.40 0.00 -1.12 -2.08 103.07 106.81 1rjf h GLY 61 Ca -0.00 -0.89 -0.20 0.00 0.00 0.00 0.00 47.33 46.23 1rjf h GLY 61 CO 0.03 0.79 -1.06 0.50 0.00 0.00 0.00 176.54 176.81 1rjf h LYS 62 N 0.41 0.00 0.13 4.80 1.57 -1.49 -3.01 116.57 118.98 1rjf h LYS 62 Ca -0.03 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.45 1rjf h LYS 62 Cb 1.31 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.65 1rjf h LYS 62 CO 0.14 0.80 -1.26 0.28 -0.57 0.00 0.00 179.45 178.84 1rjf h VAL 63 N 0.00 1.33 -0.06 0.50 2.07 -1.53 -3.06 116.25 115.51 1rjf h VAL 63 Ca -0.06 -2.61 -0.19 0.00 0.82 0.00 0.00 66.70 64.66 1rjf h VAL 63 Cb 1.74 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 34.28 1rjf h VAL 63 CO 0.11 0.78 -0.76 -0.78 0.02 0.00 0.00 177.57 176.95 1rjf h ASP 64 N 0.21 0.43 -0.22 0.57 3.58 -1.50 -2.50 116.42 116.99 1rjf h ASP 64 Ca -0.18 -0.29 -0.16 0.00 0.42 0.00 0.00 57.03 56.82 1rjf h ASP 64 Cb 1.94 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.86 1rjf h ASP 64 CO 0.23 1.03 -0.50 0.50 -2.88 0.00 0.00 179.24 177.62 1rjf h LYS 65 N 0.23 0.73 0.00 0.28 3.64 -1.63 -2.79 116.57 117.04 1rjf h LYS 65 Ca -0.03 -0.49 -0.11 0.00 -1.27 0.00 0.00 60.65 58.74 1rjf h LYS 65 Cb 1.34 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.21 1rjf h LYS 65 CO 0.13 1.11 -0.53 0.00 -2.27 0.00 0.00 179.45 177.89 1rjf h ALA 66 N 0.62 0.93 -0.22 5.00 0.00 -1.61 -3.06 119.26 120.93 1rjf h ALA 66 Ca 0.00 -0.48 -0.19 0.00 0.00 0.00 0.00 54.91 54.24 1rjf h ALA 66 Cb 1.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1rjf h ALA 66 CO 0.11 0.66 -0.61 1.98 0.00 0.00 0.00 179.25 181.39 1rjf h MET 67 N 0.00 0.74 -0.00 0.00 1.85 -1.42 -3.16 114.93 112.94 1rjf h MET 67 Ca -0.01 -0.51 -0.18 0.00 -0.61 0.00 0.00 59.70 58.39 1rjf h MET 67 Cb 1.06 0.08 -0.01 0.00 0.43 0.00 0.00 31.60 33.15 1rjf h MET 67 CO 0.07 1.13 -0.82 0.00 -0.40 0.00 0.00 176.91 176.89 1rjf h ARG 68 N 0.55 0.14 -0.66 0.39 2.47 -1.52 -3.25 114.38 112.50 1rjf h ARG 68 Ca -0.01 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 1rjf h ARG 68 Cb 1.21 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 1rjf h ARG 68 CO 0.13 0.89 0.00 -1.13 0.56 0.00 0.00 179.97 180.41 1rjf n SER 69 N -3.67 3.86 -4.75 7.04 3.41 -1.16 -4.94 113.62 113.42 1rjf n SER 69 Ca -0.03 -2.47 -0.40 0.00 -0.26 0.00 0.00 58.87 55.71 1rjf n SER 69 Cb 0.77 -0.55 -0.05 0.00 -0.26 0.00 0.00 64.21 64.12 1rjf n SER 69 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1rjf s SER 70 N -0.66 7.39 0.27 4.04 0.15 -1.20 -5.05 113.70 118.65 1rjf s SER 70 Ca 0.37 2.15 0.11 0.00 0.70 0.00 0.00 55.95 59.27 1rjf s SER 70 Cb 0.26 -2.62 -0.05 0.00 -1.71 0.00 0.00 66.02 61.90 1rjf s SER 70 CO 0.14 -0.05 -0.09 0.72 1.20 0.00 0.00 173.24 175.16 1rjf s PHE 71 N -1.08 2.51 0.43 3.44 -0.12 -1.26 -5.03 117.98 116.87 1rjf s PHE 71 Ca 0.44 -0.27 0.22 0.00 -0.05 0.00 0.00 56.93 57.26 1rjf s PHE 71 Cb -0.30 -1.11 1.19 0.00 -0.63 0.00 0.00 43.02 42.18 1rjf s PHE 71 CO 0.38 0.66 1.78 -1.35 -0.05 0.00 0.00 175.22 176.64 1rjf h PRO 72 N 2.06 0.30 -0.42 1.99 0.11 -1.96 -1.62 132.00 132.46 1rjf h PRO 72 Ca -0.42 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 1rjf h PRO 72 Cb 1.25 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1rjf h PRO 72 CO 0.60 0.20 0.06 0.28 -0.21 0.00 0.00 178.00 178.93 1rjf h VAL 73 N 0.31 1.25 -0.50 3.15 2.07 -1.95 -2.23 116.25 118.35 1rjf h VAL 73 Ca 0.58 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1rjf h VAL 73 Cb 1.64 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1rjf h VAL 73 CO -0.24 0.31 0.19 0.24 0.02 0.00 0.00 177.57 178.09 1rjf h MET 74 N 0.55 0.72 0.00 1.57 2.86 -1.71 -2.66 114.93 116.26 1rjf h MET 74 Ca 0.12 -0.11 -0.11 0.00 -2.06 0.00 0.00 59.70 57.55 1rjf h MET 74 Cb 0.39 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1rjf h MET 74 CO 0.01 0.60 -0.53 -0.91 1.06 0.00 0.00 176.91 177.14 1rjf h ASN 75 N 0.71 0.00 0.56 1.22 2.35 -1.33 -2.57 115.58 116.52 1rjf h ASN 75 Ca 0.17 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.77 1rjf h ASN 75 Cb 0.16 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1rjf h ASN 75 CO -0.02 0.53 -0.67 1.88 -1.65 0.00 0.00 177.43 177.50 1rjf h TYR 76 N 0.00 0.14 0.00 1.19 -1.99 -1.17 -2.47 116.97 112.66 1rjf h TYR 76 Ca -0.01 -0.06 -0.09 0.00 2.00 0.00 0.00 58.73 60.58 1rjf h TYR 76 Cb 0.95 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.64 1rjf h TYR 76 CO 0.00 0.74 -0.41 0.78 -0.00 0.00 0.00 178.16 179.27 1rjf h GLY 77 N 1.81 0.00 1.57 3.88 0.00 -1.22 -2.64 103.07 106.47 1rjf h GLY 77 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.14 1rjf h GLY 77 CO 0.09 0.00 -1.05 -0.84 0.00 0.00 0.00 176.54 174.74 1rjf h THR 78 N 0.00 0.98 -0.12 4.70 2.02 -1.40 -2.92 112.91 116.17 1rjf h THR 78 Ca -0.00 -2.53 -0.10 0.00 0.77 0.00 0.00 66.41 64.54 1rjf h THR 78 Cb 0.98 2.42 0.00 0.00 -1.74 0.00 0.00 68.15 69.81 1rjf h THR 78 CO 0.05 0.56 -0.31 0.22 0.37 0.00 0.00 175.52 176.40 1rjf h TYR 79 N 0.00 0.54 -0.10 3.16 3.20 -1.37 -2.48 116.97 119.92 1rjf h TYR 79 Ca -0.09 -0.21 -0.14 0.00 3.14 0.00 0.00 58.73 61.43 1rjf h TYR 79 Cb 1.63 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.79 1rjf h TYR 79 CO 0.00 0.93 -0.53 -0.07 -1.64 0.00 0.00 178.16 176.85 1rjf h LEU 80 N -0.01 0.32 -0.95 2.82 3.38 -1.61 -2.31 115.31 116.96 1rjf h LEU 80 Ca -0.01 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1rjf h LEU 80 Cb 0.93 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1rjf h LEU 80 CO 0.07 0.79 0.09 -0.09 0.09 0.00 0.00 178.44 179.39 1rjf h ARG 81 N 0.23 0.86 0.03 1.13 2.43 -1.53 -2.18 114.38 115.34 1rjf h ARG 81 Ca 0.00 -0.20 -0.11 0.00 -0.81 0.00 0.00 59.98 58.86 1rjf h ARG 81 Cb 1.01 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1rjf h ARG 81 CO 0.09 0.80 -0.59 1.15 -1.51 0.00 0.00 179.97 179.91 1rjf h THR 82 N 0.82 1.45 0.00 0.20 2.02 -1.35 -3.22 112.91 112.83 1rjf h THR 82 Ca 0.17 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 65.01 1rjf h THR 82 Cb 0.36 3.00 0.00 0.00 -1.74 0.00 0.00 68.15 69.78 1rjf h THR 82 CO 0.01 0.56 0.00 1.33 0.37 0.00 0.00 175.52 177.79 1rjf n VAL 83 N -4.42 0.53 0.03 3.16 0.24 -0.88 -1.56 118.33 115.43 1rjf n VAL 83 Ca -0.18 -0.10 -0.19 0.00 -2.04 0.00 0.00 64.34 61.83 1rjf n VAL 83 Cb 0.63 -0.69 -0.14 0.00 -1.47 0.00 0.00 33.84 32.17 1rjf n VAL 83 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1rjf h GLY 84 N 4.12 0.30 1.84 7.63 0.00 -1.53 -2.54 103.07 112.89 1rjf h GLY 84 Ca 0.00 -0.74 -0.12 0.00 0.00 0.00 0.00 47.33 46.47 1rjf h GLY 84 CO 0.00 0.65 -0.50 -2.22 0.00 0.00 0.00 176.54 174.46 1rjf h ILE 85 N -0.44 1.35 -0.01 2.60 2.04 -1.56 -3.09 117.51 118.41 1rjf h ILE 85 Ca -0.11 -1.75 -0.18 0.00 1.00 0.00 0.00 64.86 63.82 1rjf h ILE 85 Cb 1.51 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 39.45 1rjf h ILE 85 CO 0.13 0.51 -0.80 0.44 0.00 0.00 0.00 178.15 178.43 1rjf h ASP 86 N 0.14 0.19 0.19 1.72 3.32 -1.39 -2.63 116.42 117.97 1rjf h ASP 86 Ca 0.00 -0.14 -0.14 0.00 0.02 0.00 0.00 57.03 56.77 1rjf h ASP 86 Cb 0.94 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 1rjf h ASP 86 CO 0.07 0.91 -0.53 0.00 -1.72 0.00 0.00 179.24 177.97 1rjf h ALA 87 N 1.08 0.85 -0.02 3.45 0.00 -1.43 -1.71 119.26 121.49 1rjf h ALA 87 Ca -0.03 -0.50 -0.18 0.00 0.00 0.00 0.00 54.91 54.20 1rjf h ALA 87 Cb 1.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1rjf h ALA 87 CO 0.12 0.68 -0.81 0.00 0.00 0.00 0.00 179.25 179.24 1rjf h ALA 88 N 1.14 0.60 -0.14 0.00 0.00 -1.54 -3.06 119.26 116.27 1rjf h ALA 88 Ca 0.01 -0.68 -0.11 0.00 0.00 0.00 0.00 54.91 54.13 1rjf h ALA 88 Cb 1.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1rjf h ALA 88 CO 0.09 0.87 -0.36 0.82 0.00 0.00 0.00 179.25 180.66 1rjf h ILE 89 N 0.13 1.36 0.00 0.00 2.04 -1.37 -3.25 117.51 116.43 1rjf h ILE 89 Ca -0.03 -1.65 -0.11 0.00 1.00 0.00 0.00 64.86 64.07 1rjf h ILE 89 Cb 1.40 2.06 -0.02 0.00 -0.74 0.00 0.00 36.82 39.53 1rjf h ILE 89 CO 0.12 0.49 -0.51 -0.07 0.00 0.00 0.00 178.15 178.18 1rjf h LEU 90 N 0.10 0.00 -0.76 1.44 3.38 -1.39 -1.83 115.31 116.25 1rjf h LEU 90 Ca -0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1rjf h LEU 90 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1rjf h LEU 90 CO 0.08 0.51 -0.41 -0.33 0.09 0.00 0.00 178.44 178.38 1rjf h GLU 91 N 0.00 0.45 0.05 1.13 5.08 -1.64 -2.83 114.58 116.82 1rjf h GLU 91 Ca -0.01 -0.23 -0.23 0.00 -1.00 0.00 0.00 59.36 57.90 1rjf h GLU 91 Cb 1.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1rjf h GLU 91 CO 0.07 0.79 -1.06 0.35 -1.00 0.00 0.00 179.01 178.15 1rjf h PHE 92 N 0.37 0.25 0.00 4.33 3.57 -1.51 -3.13 116.94 120.83 1rjf h PHE 92 Ca 0.03 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.34 1rjf h PHE 92 Cb 0.88 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 1rjf h PHE 92 CO 0.03 1.10 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.89 1rjf h LEU 93 N 0.05 0.00 0.21 0.59 3.38 -1.37 -2.25 115.31 115.92 1rjf h LEU 93 Ca -0.06 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.60 1rjf h LEU 93 Cb 1.79 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.56 1rjf h LEU 93 CO 0.16 0.07 -1.37 0.58 0.09 0.00 0.00 178.44 177.97 1rjf h VAL 94 N 0.00 1.26 0.00 1.22 2.07 -1.60 -3.33 116.25 115.87 1rjf h VAL 94 Ca -0.00 -2.61 -0.06 0.00 0.82 0.00 0.00 66.70 64.84 1rjf h VAL 94 Cb 1.06 3.01 -0.01 0.00 -1.52 0.00 0.00 31.29 33.83 1rjf h VAL 94 CO 0.01 0.79 -0.31 0.00 0.02 0.00 0.00 177.57 178.08 1rjf h ALA 95 N 0.11 0.99 -3.27 1.67 0.00 -1.59 -3.42 119.26 113.75 1rjf h ALA 95 Ca -0.25 -0.28 -0.56 0.00 0.00 0.00 0.00 54.91 53.82 1rjf h ALA 95 Cb 2.01 -0.05 -0.37 0.00 0.00 0.00 0.00 17.79 19.38 1rjf h ALA 95 CO 0.22 0.38 -0.80 -0.80 0.00 0.00 0.00 179.25 178.25 1rjf s ASN 96 N -6.32 2.71 -0.06 0.00 0.01 -0.85 -5.04 114.94 105.39 1rjf s ASN 96 Ca 0.01 -0.57 -0.23 0.00 -0.71 0.00 0.00 52.86 51.36 1rjf s ASN 96 Cb 0.10 -0.97 -0.18 0.00 0.41 0.00 0.00 41.25 40.62 1rjf s ASN 96 CO 0.67 -0.15 0.92 -0.08 -1.51 0.00 0.00 177.10 176.95 1rjf h GLU 97 N 8.11 -0.14 -5.52 -0.60 4.81 -1.82 -3.40 114.58 116.03 1rjf h GLU 97 Ca -0.28 0.01 -0.63 0.00 -0.13 0.00 0.00 59.36 58.33 1rjf h GLU 97 Cb 1.12 0.03 -0.14 0.00 0.63 0.00 0.00 28.75 30.39 1rjf h GLU 97 CO 0.43 0.37 0.49 0.21 -0.73 0.00 0.00 179.01 179.79 1rjf s LYS 98 N -3.38 3.18 0.09 1.92 2.20 -1.26 -4.43 119.74 118.06 1rjf s LYS 98 Ca -0.14 -0.67 0.03 0.00 -0.36 0.00 0.00 55.97 54.84 1rjf s LYS 98 Cb 0.00 -4.16 -0.04 0.00 -1.51 0.00 0.00 37.83 32.13 1rjf s LYS 98 CO 0.53 -1.65 -0.09 0.08 -0.36 0.00 0.00 175.35 173.86 1rjf s VAL 99 N 3.87 0.85 -0.12 4.02 1.01 -1.18 -4.07 120.40 124.78 1rjf s VAL 99 Ca 0.24 -1.62 -0.01 0.00 0.00 0.00 0.00 61.98 60.58 1rjf s VAL 99 Cb -0.16 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 34.93 1rjf s VAL 99 CO 0.13 -0.59 -0.03 0.00 0.00 0.00 0.00 175.10 174.61 1rjf s GLN 100 N -2.82 1.03 0.26 2.72 -2.07 -0.66 -1.75 119.66 116.37 1rjf s GLN 100 Ca 0.05 -0.20 -0.11 0.00 -1.82 0.00 0.00 55.36 53.28 1rjf s GLN 100 Cb -0.02 -1.52 -0.08 0.00 -1.09 0.00 0.00 33.01 30.30 1rjf s GLN 100 CO -0.01 -0.37 0.60 0.08 -1.32 0.00 0.00 175.29 174.28 1rjf s VAL 101 N 1.82 4.87 -0.39 3.63 1.01 -0.74 -2.51 120.40 128.09 1rjf s VAL 101 Ca 0.03 0.57 0.01 0.00 0.00 0.00 0.00 61.98 62.60 1rjf s VAL 101 Cb -0.14 -3.62 0.15 0.00 0.00 0.00 0.00 36.38 32.76 1rjf s VAL 101 CO -0.07 -0.13 0.25 -0.69 0.00 0.00 0.00 175.10 174.46 1rjf s VAL 102 N -1.89 0.49 -0.91 2.92 1.01 -0.21 -1.84 120.40 119.96 1rjf s VAL 102 Ca 0.49 -2.10 -0.24 0.00 0.00 0.00 0.00 61.98 60.12 1rjf s VAL 102 Cb -0.11 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.93 1rjf s VAL 102 CO 0.21 -1.02 1.59 0.21 0.00 0.00 0.00 175.10 176.10 1rjf s ASN 103 N 0.69 5.97 0.08 3.32 3.84 -0.81 -2.69 114.94 125.34 1rjf s ASN 103 Ca 0.21 -0.93 -0.30 0.00 0.21 0.00 0.00 52.86 52.04 1rjf s ASN 103 Cb -0.18 -2.56 -0.06 0.00 -0.55 0.00 0.00 41.25 37.90 1rjf s ASN 103 CO -0.03 -1.97 1.17 -0.76 -2.79 0.00 0.00 177.10 172.72 1rjf s LEU 104 N 6.84 4.39 -1.05 3.21 1.43 -0.12 -2.27 118.68 131.11 1rjf s LEU 104 Ca 0.53 2.02 -0.01 0.00 -1.03 0.00 0.00 54.13 55.64 1rjf s LEU 104 Cb -0.04 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 1rjf s LEU 104 CO -0.01 -0.42 0.88 0.61 0.23 0.00 0.00 176.35 177.64 1rjf n GLY 105 N 2.98 -0.37 0.10 -3.19 0.00 -0.52 -3.90 105.19 100.29 1rjf n GLY 105 Ca 0.08 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 1rjf n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rjf n GLY 107 N 0.17 2.50 1.46 0.00 0.00 -1.26 -3.01 105.19 105.05 1rjf n GLY 107 Ca -0.07 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 1rjf n GLY 107 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rjf n SER 108 N 9.68 3.28 -4.70 1.61 7.64 -1.26 -4.88 113.62 124.98 1rjf n SER 108 Ca 0.00 -3.78 -0.42 0.00 1.01 0.00 0.00 58.87 55.68 1rjf n SER 108 Cb 0.00 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 62.52 1rjf n SER 108 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1rjf s ASP 109 N -2.50 7.02 -0.24 6.43 2.15 -1.16 -4.94 116.67 123.43 1rjf s ASP 109 Ca 0.48 2.00 0.10 0.00 0.43 0.00 0.00 52.55 55.56 1rjf s ASP 109 Cb 0.42 -2.57 0.44 0.00 -0.30 0.00 0.00 42.92 40.91 1rjf s ASP 109 CO 0.01 -0.55 1.27 0.18 -0.17 0.00 0.00 175.17 175.91 1rjf n LEU 110 N 4.48 3.27 0.10 -1.34 4.77 -1.26 -4.66 117.00 122.36 1rjf n LEU 110 Ca 0.10 -3.99 0.13 0.00 -0.03 0.00 0.00 56.01 52.23 1rjf n LEU 110 Cb 0.46 -0.53 0.42 0.00 -2.33 0.00 0.00 43.42 41.43 1rjf n LEU 110 CO 0.56 1.46 0.89 -2.11 -1.33 0.00 0.00 177.39 176.86 1rjf n ARG 111 N -1.08 0.25 0.25 3.23 1.85 -1.26 -3.29 116.66 116.62 1rjf n ARG 111 Ca 0.25 0.23 0.15 0.00 -1.00 0.00 0.00 57.85 57.48 1rjf n ARG 111 Cb 0.79 -1.80 0.51 0.00 -1.05 0.00 0.00 32.46 30.91 1rjf n ARG 111 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1rjf h MET 112 N 0.00 0.00 0.18 2.89 -0.00 -1.99 -2.94 114.93 113.07 1rjf h MET 112 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 1rjf h MET 112 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.31 1rjf h MET 112 CO 0.00 0.00 -0.09 -0.07 -0.00 0.00 0.00 176.91 176.75 1rjf h LEU 113 N 0.00 -0.21 -0.91 -0.10 3.38 -1.93 -2.23 115.31 113.32 1rjf h LEU 113 Ca 0.00 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 1rjf h LEU 113 Cb 0.66 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1rjf h LEU 113 CO 0.00 0.26 -0.31 1.55 0.09 0.00 0.00 178.44 180.02 1rjf h PRO 114 N -0.74 0.00 0.08 1.13 0.13 -1.77 -3.20 132.00 127.64 1rjf h PRO 114 Ca -0.02 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.86 1rjf h PRO 114 Cb 0.51 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.66 1rjf h PRO 114 CO 0.04 0.31 -1.00 -0.07 -0.23 0.00 0.00 178.00 177.06 1rjf h LEU 115 N 0.00 0.74 -1.11 1.56 3.38 -1.57 -1.76 115.31 116.55 1rjf h LEU 115 Ca -0.00 -0.82 -0.05 0.00 0.09 0.00 0.00 57.88 57.10 1rjf h LEU 115 Cb 0.88 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1rjf h LEU 115 CO 0.04 1.48 0.07 -0.07 0.09 0.00 0.00 178.44 180.05 1rjf h LEU 116 N 0.09 0.66 -0.13 1.67 3.38 -1.52 -2.12 115.31 117.34 1rjf h LEU 116 Ca -0.15 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1rjf h LEU 116 Cb 1.70 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 1rjf h LEU 116 CO 0.19 0.68 0.02 -0.61 0.09 0.00 0.00 178.44 178.81 1rjf h GLN 117 N 0.68 0.22 0.00 1.13 5.75 -1.57 -3.28 115.11 118.04 1rjf h GLN 117 Ca 0.15 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.53 1rjf h GLN 117 Cb 0.31 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 1rjf h GLN 117 CO 0.00 0.43 -0.25 0.52 -2.65 0.00 0.00 178.83 176.88 1rjf h MET 118 N -0.01 0.00 -3.88 1.69 2.86 -1.08 -3.39 114.93 111.12 1rjf h MET 118 Ca 0.04 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.07 1rjf h MET 118 Cb 0.31 0.00 -0.40 0.00 0.06 0.00 0.00 31.60 31.57 1rjf h MET 118 CO 0.00 0.25 -0.74 -0.06 1.06 0.00 0.00 176.91 177.42 1rjf s PHE 119 N -3.72 2.35 0.51 -0.22 0.08 -0.82 -5.02 117.98 111.15 1rjf s PHE 119 Ca -0.00 -2.15 0.23 0.00 0.12 0.00 0.00 56.93 55.12 1rjf s PHE 119 Cb 0.11 -2.10 1.32 0.00 -0.57 0.00 0.00 43.02 41.78 1rjf s PHE 119 CO 0.64 -0.90 1.99 -1.35 -0.10 0.00 0.00 175.22 175.51 1rjf h PRO 120 N 7.89 0.08 -0.81 0.24 0.11 -1.77 -2.66 132.00 135.09 1rjf h PRO 120 Ca -0.10 -0.01 -0.49 0.00 0.11 0.00 0.00 66.00 65.51 1rjf h PRO 120 Cb 1.01 -0.02 -0.27 0.00 0.11 0.00 0.00 31.00 31.84 1rjf h PRO 120 CO 0.49 0.06 0.37 0.72 -0.21 0.00 0.00 178.00 179.42 1rjf n HIS 121 N -4.41 2.59 -3.88 0.65 8.25 -1.26 -4.94 115.22 112.22 1rjf n HIS 121 Ca 0.10 -2.20 -0.36 0.00 -0.26 0.00 0.00 57.72 55.00 1rjf n HIS 121 Cb 0.55 -0.92 -0.12 0.00 1.12 0.00 0.00 29.99 30.62 1rjf n HIS 121 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1rjf s LEU 122 N -3.49 3.42 0.33 2.41 2.96 -1.00 -3.08 118.68 120.23 1rjf s LEU 122 Ca 0.56 -0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 54.26 1rjf s LEU 122 Cb 0.46 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 45.22 1rjf s LEU 122 CO 0.04 0.02 0.58 0.00 -1.32 0.00 0.00 176.35 175.66 1rjf s ALA 123 N 1.29 3.62 -0.12 5.97 0.00 -0.72 -4.87 121.76 126.94 1rjf s ALA 123 Ca 0.05 -0.69 -0.09 0.00 0.00 0.00 0.00 51.96 51.23 1rjf s ALA 123 Cb -0.15 -2.26 0.04 0.00 0.00 0.00 0.00 23.12 20.75 1rjf s ALA 123 CO 0.03 0.07 0.31 -0.47 0.00 0.00 0.00 175.76 175.69 1rjf s TYR 124 N -2.25 -0.37 -0.32 0.00 5.04 -0.74 -1.78 117.35 116.92 1rjf s TYR 124 Ca 0.43 0.88 -0.01 0.00 -2.44 0.00 0.00 57.07 55.93 1rjf s TYR 124 Cb -0.10 0.12 0.11 0.00 0.35 0.00 0.00 41.96 42.43 1rjf s TYR 124 CO 0.34 -0.20 0.13 0.08 -1.34 0.00 0.00 175.55 174.55 1rjf s VAL 125 N 0.61 0.75 0.18 3.14 1.01 -0.77 -1.74 120.40 123.57 1rjf s VAL 125 Ca -0.04 -1.45 -0.30 0.00 0.00 0.00 0.00 61.98 60.19 1rjf s VAL 125 Cb -0.05 -1.57 -0.08 0.00 0.00 0.00 0.00 36.38 34.68 1rjf s VAL 125 CO -0.04 -0.73 1.27 -1.81 0.00 0.00 0.00 175.10 173.79 1rjf s ASP 126 N 1.51 6.97 -0.04 3.32 1.01 -0.35 -1.92 116.67 127.18 1rjf s ASP 126 Ca 0.11 2.31 -0.01 0.00 0.71 0.00 0.00 52.55 55.67 1rjf s ASP 126 Cb -0.18 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.17 1rjf s ASP 126 CO -0.22 -0.47 0.04 -0.63 0.21 0.00 0.00 175.17 174.09 1rjf s ILE 127 N 0.17 0.01 0.37 0.77 1.01 -0.96 -2.27 121.20 120.29 1rjf s ILE 127 Ca 0.56 0.31 -0.07 0.00 0.00 0.00 0.00 60.65 61.44 1rjf s ILE 127 Cb -0.35 -0.22 0.02 0.00 0.01 0.00 0.00 42.46 41.93 1rjf s ILE 127 CO 0.37 0.18 0.61 -0.62 0.00 0.00 0.00 174.94 175.47 1rjf s ASP 128 N 1.85 0.60 0.89 3.58 2.15 -1.20 -1.43 116.67 123.11 1rjf s ASP 128 Ca 0.01 -1.37 -0.13 0.00 0.43 0.00 0.00 52.55 51.50 1rjf s ASP 128 Cb -0.12 0.75 0.06 0.00 -0.30 0.00 0.00 42.92 43.31 1rjf s ASP 128 CO -0.03 -1.47 0.75 -1.22 -0.17 0.00 0.00 175.17 173.03 1rjf n TYR 129 N -0.56 -0.30 -0.30 -5.34 0.53 -1.25 -1.83 117.16 108.11 1rjf n TYR 129 Ca -0.03 0.32 0.05 0.00 -1.02 0.00 0.00 57.90 57.22 1rjf n TYR 129 Cb 0.61 -1.91 0.25 0.00 -1.03 0.00 0.00 39.34 37.26 1rjf n TYR 129 CO 0.00 0.00 0.00 -0.97 -1.02 0.00 0.00 176.86 174.87 1rjf h ASN 130 N -1.39 0.88 0.45 7.72 -0.73 -1.93 -2.23 115.58 118.36 1rjf h ASN 130 Ca -0.44 0.01 -0.19 0.00 1.87 0.00 0.00 56.30 57.55 1rjf h ASN 130 Cb 1.29 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 39.69 1rjf h ASN 130 CO 0.39 0.56 -0.80 -0.33 -0.37 0.00 0.00 177.43 176.88 1rjf h GLU 131 N 1.00 0.26 -0.16 6.67 3.07 -2.00 -2.84 114.58 120.59 1rjf h GLU 131 Ca 0.39 -0.25 -0.06 0.00 -0.50 0.00 0.00 59.36 58.94 1rjf h GLU 131 Cb 0.23 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1rjf h GLU 131 CO -0.15 0.93 -0.13 0.77 -1.40 0.00 0.00 179.01 179.03 1rjf h SER 132 N 0.16 0.39 1.34 1.42 0.02 -1.79 -3.08 113.55 112.01 1rjf h SER 132 Ca -0.04 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1rjf h SER 132 Cb 1.40 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1rjf h SER 132 CO 0.13 0.77 0.00 -0.37 -1.14 0.00 0.00 176.83 176.22 1rjf h VAL 133 N 0.01 0.00 0.03 2.27 -1.51 -1.50 -2.43 116.25 113.12 1rjf h VAL 133 Ca 0.03 -0.58 -0.22 0.00 -1.23 0.00 0.00 66.70 64.69 1rjf h VAL 133 Cb 0.65 1.53 -0.00 0.00 -2.13 0.00 0.00 31.29 31.34 1rjf h VAL 133 CO 0.03 0.00 -0.98 -0.33 -1.23 0.00 0.00 177.57 175.06 1rjf h GLU 134 N 0.00 0.27 0.04 5.19 4.39 -1.52 -2.06 114.58 120.90 1rjf h GLU 134 Ca 0.00 -0.33 -0.23 0.00 0.34 0.00 0.00 59.36 59.13 1rjf h GLU 134 Cb 0.67 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1rjf h GLU 134 CO 0.00 1.06 -1.02 1.25 -1.16 0.00 0.00 179.01 179.15 1rjf h LEU 135 N 0.14 0.45 -0.69 1.33 5.85 -1.44 -2.83 115.31 118.12 1rjf h LEU 135 Ca -0.07 -0.40 -0.14 0.00 0.84 0.00 0.00 57.88 58.11 1rjf h LEU 135 Cb 1.64 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 1rjf h LEU 135 CO 0.16 1.22 -0.58 0.50 -0.34 0.00 0.00 178.44 179.41 1rjf h LYS 136 N 0.16 0.24 -0.13 1.25 3.64 -1.50 -2.61 116.57 117.62 1rjf h LYS 136 Ca -0.09 -0.16 -0.14 0.00 -1.27 0.00 0.00 60.65 59.00 1rjf h LYS 136 Cb 1.68 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.51 1rjf h LYS 136 CO 0.17 0.75 -0.50 -0.97 -2.27 0.00 0.00 179.45 176.63 1rjf h ASN 137 N 0.18 0.39 0.64 4.20 -1.24 -1.41 -2.49 115.58 115.85 1rjf h ASN 137 Ca -0.00 -0.19 -0.16 0.00 0.71 0.00 0.00 56.30 56.65 1rjf h ASN 137 Cb 1.07 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.99 1rjf h ASN 137 CO 0.09 0.83 -0.73 0.28 -1.29 0.00 0.00 177.43 176.61 1rjf h SER 138 N 0.28 0.09 0.35 1.15 0.02 -1.42 -2.83 113.55 111.20 1rjf h SER 138 Ca 0.01 -0.06 -0.28 0.00 -0.84 0.00 0.00 61.79 60.61 1rjf h SER 138 Cb 0.99 -0.03 0.02 0.00 0.14 0.00 0.00 62.40 63.52 1rjf h SER 138 CO 0.08 0.79 -1.23 0.40 -1.14 0.00 0.00 176.83 175.73 1rjf h ILE 139 N 0.05 1.37 -0.01 3.27 2.04 -1.40 -2.59 117.51 120.24 1rjf h ILE 139 Ca -0.01 -2.69 -0.15 0.00 1.00 0.00 0.00 64.86 63.01 1rjf h ILE 139 Cb 1.29 2.78 -0.02 0.00 -0.74 0.00 0.00 36.82 40.14 1rjf h ILE 139 CO 0.10 0.80 -0.68 -0.07 0.00 0.00 0.00 178.15 178.30 1rjf h LEU 140 N 0.18 0.08 0.00 1.44 3.38 -1.52 -2.94 115.31 115.94 1rjf h LEU 140 Ca -0.16 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1rjf h LEU 140 Cb 1.92 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.64 1rjf h LEU 140 CO 0.22 0.74 -0.68 0.03 0.09 0.00 0.00 178.44 178.83 1rjf h ARG 141 N 0.05 0.00 0.06 1.13 3.08 -1.57 -3.17 114.38 113.97 1rjf h ARG 141 Ca -0.01 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.74 1rjf h ARG 141 Cb 1.21 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.24 1rjf h ARG 141 CO 0.09 0.00 -1.61 1.49 -1.07 0.00 0.00 179.97 178.87 1rjf h GLU 142 N 0.00 0.13 -6.96 0.04 4.57 -1.49 -3.40 114.58 107.47 1rjf h GLU 142 Ca 0.00 -0.23 -0.52 0.00 -1.18 0.00 0.00 59.36 57.44 1rjf h GLU 142 Cb 0.91 0.08 0.07 0.00 -0.16 0.00 0.00 28.75 29.65 1rjf h GLU 142 CO 0.00 1.11 0.55 0.45 -1.18 0.00 0.00 179.01 179.94 1rjf s SER 143 N -6.96 6.30 -0.01 1.04 0.15 -1.11 -4.97 113.70 108.14 1rjf s SER 143 Ca -0.26 2.49 -0.20 0.00 0.70 0.00 0.00 55.95 58.68 1rjf s SER 143 Cb 0.06 -2.62 -0.28 0.00 -1.71 0.00 0.00 66.02 61.47 1rjf s SER 143 CO 0.68 -0.84 1.01 -0.08 1.20 0.00 0.00 173.24 175.21 1rjf h GLU 144 N 2.49 0.39 -0.07 5.44 4.81 -1.91 -2.97 114.58 122.76 1rjf h GLU 144 Ca -0.49 -0.52 -0.14 0.00 -0.13 0.00 0.00 59.36 58.07 1rjf h GLU 144 Cb 1.25 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.79 1rjf h GLU 144 CO 0.62 1.20 -0.59 0.97 -0.73 0.00 0.00 179.01 180.47 1rjf h ILE 145 N -0.17 1.38 -0.00 2.32 2.10 -1.95 -2.50 117.51 118.69 1rjf h ILE 145 Ca -0.12 -1.96 -0.17 0.00 1.08 0.00 0.00 64.86 63.69 1rjf h ILE 145 Cb 1.53 1.99 -0.02 0.00 -1.09 0.00 0.00 36.82 39.23 1rjf h ILE 145 CO 0.15 0.58 -0.79 -0.07 -1.08 0.00 0.00 178.15 176.94 1rjf h LEU 146 N 0.17 0.09 -0.58 2.19 3.38 -1.85 -2.97 115.31 115.74 1rjf h LEU 146 Ca -0.00 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1rjf h LEU 146 Cb 1.09 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1rjf h LEU 146 CO 0.09 0.84 0.16 0.03 0.09 0.00 0.00 178.44 179.65 1rjf h ARG 147 N 0.04 0.92 -0.07 1.13 3.08 -1.38 -3.14 114.38 114.96 1rjf h ARG 147 Ca -0.02 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 59.71 1rjf h ARG 147 Cb 1.38 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 1rjf h ARG 147 CO 0.11 0.84 -0.44 0.82 -1.07 0.00 0.00 179.97 180.23 1rjf h ILE 148 N 0.83 1.32 -0.05 2.04 2.04 -1.44 -0.96 117.51 121.29 1rjf h ILE 148 Ca 0.18 -1.58 -0.09 0.00 1.00 0.00 0.00 64.86 64.37 1rjf h ILE 148 Cb 0.32 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1rjf h ILE 148 CO -0.00 0.47 -0.38 0.77 0.00 0.00 0.00 178.15 179.00 1rjf h SER 149 N 0.14 0.11 -0.03 1.72 4.64 -1.48 -3.20 113.55 115.46 1rjf h SER 149 Ca 0.01 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1rjf h SER 149 Cb 0.84 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1rjf h SER 149 CO 0.07 0.49 0.00 0.18 -0.87 0.00 0.00 176.83 176.70 1rjf n LEU 150 N -4.06 2.06 -1.87 5.97 4.77 -1.16 -4.95 117.00 117.77 1rjf n LEU 150 Ca -0.02 -1.03 -0.15 0.00 -0.03 0.00 0.00 56.01 54.78 1rjf n LEU 150 Cb 0.44 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.53 1rjf n LEU 150 CO 0.40 0.39 -0.12 0.61 -1.33 0.00 0.00 177.39 177.34 1rjf n GLY 151 N 0.69 -0.21 3.90 -0.72 0.00 -0.47 -4.89 105.19 103.50 1rjf n GLY 151 Ca 0.07 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 1rjf n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rjf s LEU 152 N -4.45 3.35 0.60 0.99 1.43 -0.59 -5.03 118.68 114.99 1rjf s LEU 152 Ca 0.08 0.98 0.08 0.00 -1.03 0.00 0.00 54.13 54.24 1rjf s LEU 152 Cb -0.04 -3.90 0.10 0.00 0.03 0.00 0.00 46.19 42.38 1rjf s LEU 152 CO 0.10 -0.86 0.83 -0.94 0.23 0.00 0.00 176.35 175.71 1rjf s SER 153 N -4.21 4.95 0.03 2.29 1.04 -1.26 -4.78 113.70 111.76 1rjf s SER 153 Ca 0.52 -0.78 -0.03 0.00 0.48 0.00 0.00 55.95 56.14 1rjf s SER 153 Cb -0.11 0.28 -0.28 0.00 0.10 0.00 0.00 66.02 66.01 1rjf s SER 153 CO 0.47 -1.45 0.97 0.50 0.98 0.00 0.00 173.24 174.72 1rjf h LYS 154 N 0.04 0.25 -7.36 4.02 3.64 -1.98 -3.45 116.57 111.73 1rjf h LYS 154 Ca -0.31 -0.43 -0.47 0.00 -1.27 0.00 0.00 60.65 58.17 1rjf h LYS 154 Cb 1.28 0.16 0.08 0.00 -0.41 0.00 0.00 32.23 33.34 1rjf h LYS 154 CO 0.40 1.15 0.30 -1.21 -2.27 0.00 0.00 179.45 177.82 1rjf s GLU 155 N -2.63 2.54 -1.19 1.90 8.01 -1.26 -4.79 118.70 121.27 1rjf s GLU 155 Ca -0.07 0.09 -0.12 0.00 0.01 0.00 0.00 54.97 54.88 1rjf s GLU 155 Cb 0.07 -2.11 0.20 0.00 -4.31 0.00 0.00 34.13 27.98 1rjf s GLU 155 CO 0.87 -1.10 1.43 -0.25 0.01 0.00 0.00 175.26 176.21 1rjf n ASP 156 N -2.93 5.33 -0.04 -0.19 9.92 -1.26 -4.85 116.55 122.53 1rjf n ASP 156 Ca 0.07 -3.03 0.02 0.00 -0.53 0.00 0.00 54.79 51.31 1rjf n ASP 156 Cb 0.59 -1.50 0.34 0.00 -0.64 0.00 0.00 41.12 39.91 1rjf n ASP 156 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1rjf h THR 157 N 4.25 1.16 -3.75 -3.53 1.35 -1.94 -3.46 112.91 106.98 1rjf h THR 157 Ca 0.29 -0.43 -0.47 0.00 -0.55 0.00 0.00 66.41 65.25 1rjf h THR 157 Cb 0.83 0.57 0.20 0.00 -1.73 0.00 0.00 68.15 68.02 1rjf h THR 157 CO 1.25 0.18 0.12 0.00 -0.25 0.00 0.00 175.52 176.82 1rjf s ALA 158 N -5.38 0.52 0.00 6.62 0.00 -1.26 -5.05 121.76 117.21 1rjf s ALA 158 Ca -0.09 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1rjf s ALA 158 Cb 0.17 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1rjf s ALA 158 CO 0.75 -3.24 0.00 1.63 0.00 0.00 0.00 175.76 174.91 1rjf n LYS 159 N -4.52 0.00 0.00 0.00 5.02 -1.22 -4.95 118.16 112.49 1rjf n LYS 159 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1rjf n LYS 159 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 1rjf n LYS 159 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1rjf n SER 160 N 0.00 0.00 0.02 4.39 3.41 -1.26 -4.46 113.62 115.72 1rjf n SER 160 Ca 0.00 0.03 0.12 0.00 -0.26 0.00 0.00 58.87 58.76 1rjf n SER 160 Cb 0.00 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.23 1rjf n SER 160 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1rjf n PRO 161 N -0.18 0.10 -3.46 4.33 -0.04 -1.26 -4.89 135.00 129.61 1rjf n PRO 161 Ca 0.00 0.03 -0.38 0.00 -0.04 0.00 0.00 63.50 63.12 1rjf n PRO 161 Cb 0.00 -1.57 -0.08 0.00 -0.04 0.00 0.00 33.50 31.81 1rjf n PRO 161 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1rjf s PHE 162 N -3.06 3.35 0.13 0.54 0.40 -1.26 -3.46 117.98 114.61 1rjf s PHE 162 Ca 0.10 0.49 -0.03 0.00 -0.60 0.00 0.00 56.93 56.89 1rjf s PHE 162 Cb 0.16 -2.46 -0.11 0.00 0.51 0.00 0.00 43.02 41.12 1rjf s PHE 162 CO 0.68 -0.01 1.29 -0.07 0.70 0.00 0.00 175.22 177.81 1rjf h LEU 163 N 7.70 0.47 -8.44 -0.37 3.38 -1.70 -3.23 115.31 113.12 1rjf h LEU 163 Ca -0.36 -0.40 -0.59 0.00 0.09 0.00 0.00 57.88 56.62 1rjf h LEU 163 Cb 1.16 -0.15 -0.29 0.00 0.09 0.00 0.00 40.66 41.48 1rjf h LEU 163 CO 0.69 1.21 -0.85 -0.63 0.09 0.00 0.00 178.44 178.95 1rjf s ILE 164 N -3.17 1.61 -0.45 1.22 1.01 -1.19 -4.29 121.20 115.95 1rjf s ILE 164 Ca -0.05 -0.93 0.07 0.00 0.00 0.00 0.00 60.65 59.74 1rjf s ILE 164 Cb 0.09 -1.35 0.29 0.00 0.01 0.00 0.00 42.46 41.50 1rjf s ILE 164 CO 0.86 0.40 0.92 -0.67 0.00 0.00 0.00 174.94 176.46 1rjf n ASP 165 N 2.43 -1.72 -4.13 3.58 2.03 -1.26 -2.35 116.55 115.13 1rjf n ASP 165 Ca -0.16 -3.37 -0.37 0.00 0.52 0.00 0.00 54.79 51.42 1rjf n ASP 165 Cb 0.53 1.21 -0.11 0.00 -0.72 0.00 0.00 41.12 42.04 1rjf n ASP 165 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1rjf s GLN 166 N -0.20 2.18 5.60 -0.67 2.00 -1.03 -4.99 119.66 122.55 1rjf s GLN 166 Ca 0.29 -1.97 0.00 0.00 -2.00 0.00 0.00 55.36 51.68 1rjf s GLN 166 Cb 0.27 -3.66 0.00 0.00 0.80 0.00 0.00 33.01 30.42 1rjf s GLN 166 CO -0.12 -1.11 0.00 0.41 -0.50 0.00 0.00 175.29 173.97 1rjf n GLY 167 N 4.39 1.55 1.07 2.59 0.00 -1.26 -2.93 105.19 110.61 1rjf n GLY 167 Ca -0.01 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.07 1rjf n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rjf n ARG 168 N 0.00 3.15 -4.79 1.61 1.74 -1.26 -4.96 116.66 112.15 1rjf n ARG 168 Ca 0.00 -2.91 -0.25 0.00 -0.77 0.00 0.00 57.85 53.92 1rjf n ARG 168 Cb 0.00 -1.91 -0.15 0.00 -1.02 0.00 0.00 32.46 29.38 1rjf n ARG 168 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1rjf s TYR 169 N -2.85 1.61 -0.07 -1.55 5.04 -1.15 -1.79 117.35 116.59 1rjf s TYR 169 Ca 0.44 -0.32 -0.03 0.00 -2.44 0.00 0.00 57.07 54.73 1rjf s TYR 169 Cb 0.36 -1.02 0.04 0.00 0.35 0.00 0.00 41.96 41.69 1rjf s TYR 169 CO 0.09 -0.00 0.13 0.15 -1.34 0.00 0.00 175.55 174.59 1rjf s LYS 170 N -0.60 0.03 -0.11 4.97 1.02 -0.71 -2.48 119.74 121.87 1rjf s LYS 170 Ca 0.07 0.46 -0.02 0.00 0.02 0.00 0.00 55.97 56.49 1rjf s LYS 170 Cb -0.07 -0.27 -0.03 0.00 -0.52 0.00 0.00 37.83 36.94 1rjf s LYS 170 CO -0.00 -0.26 -0.03 -1.17 -0.92 0.00 0.00 175.35 172.97 1rjf s LEU 171 N 1.85 3.38 -0.12 3.17 2.96 -0.99 -1.20 118.68 127.72 1rjf s LEU 171 Ca -0.01 0.01 -0.10 0.00 -0.22 0.00 0.00 54.13 53.81 1rjf s LEU 171 Cb -0.12 -1.78 0.04 0.00 0.50 0.00 0.00 46.19 44.83 1rjf s LEU 171 CO -0.05 0.30 0.32 0.00 -1.32 0.00 0.00 176.35 175.60 1rjf s ALA 172 N -0.42 -0.79 0.22 5.97 0.00 -0.96 -1.83 121.76 123.95 1rjf s ALA 172 Ca 0.07 0.99 -0.28 0.00 0.00 0.00 0.00 51.96 52.74 1rjf s ALA 172 Cb -0.12 -0.59 -0.09 0.00 0.00 0.00 0.00 23.12 22.32 1rjf s ALA 172 CO 0.02 -0.17 0.89 0.00 0.00 0.00 0.00 175.76 176.50 1rjf s ALA 173 N 0.47 3.36 -0.29 0.00 0.00 -1.22 -3.24 121.76 120.84 1rjf s ALA 173 Ca -0.02 0.54 -0.19 0.00 0.00 0.00 0.00 51.96 52.28 1rjf s ALA 173 Cb -0.04 -3.13 0.14 0.00 0.00 0.00 0.00 23.12 20.08 1rjf s ALA 173 CO -0.02 0.23 1.00 0.00 0.00 0.00 0.00 175.76 176.96 1rjf s ASP 175 N 0.97 6.49 0.26 0.00 -1.08 -1.26 -3.83 116.67 118.22 1rjf s ASP 175 Ca -0.05 0.10 0.26 0.00 -0.52 0.00 0.00 52.55 52.34 1rjf s ASP 175 Cb -0.04 -2.43 0.75 0.00 -1.46 0.00 0.00 42.92 39.74 1rjf s ASP 175 CO -0.12 -0.98 1.75 -0.07 0.52 0.00 0.00 175.17 176.27 1rjf h LEU 176 N 10.35 0.00 -1.11 -1.34 3.38 -1.98 -2.75 115.31 121.85 1rjf h LEU 176 Ca -0.24 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 1rjf h LEU 176 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1rjf h LEU 176 CO 1.00 0.00 -0.37 0.78 0.09 0.00 0.00 178.44 179.94 1rjf h ASN 177 N 0.00 0.00 -3.60 -0.43 4.21 -1.91 -3.40 115.58 110.45 1rjf h ASN 177 Ca 0.00 0.00 -0.63 0.00 1.21 0.00 0.00 56.30 56.88 1rjf h ASN 177 Cb 0.75 0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 37.82 1rjf h ASN 177 CO 0.00 0.37 0.29 -0.62 -1.29 0.00 0.00 177.43 176.18 1rjf s ASP 178 N -6.56 6.42 0.20 5.81 -1.08 -1.04 -4.91 116.67 115.51 1rjf s ASP 178 Ca -0.01 -0.06 0.08 0.00 -0.52 0.00 0.00 52.55 52.04 1rjf s ASP 178 Cb 0.12 -2.37 0.09 0.00 -1.46 0.00 0.00 42.92 39.31 1rjf s ASP 178 CO 0.69 -0.82 1.45 -0.29 0.52 0.00 0.00 175.17 176.72 1rjf h ILE 179 N 5.89 1.56 -0.18 4.11 6.09 -1.82 -2.80 117.51 130.35 1rjf h ILE 179 Ca -0.25 -2.68 -0.01 0.00 -1.37 0.00 0.00 64.86 60.55 1rjf h ILE 179 Cb 1.09 2.45 -0.01 0.00 0.47 0.00 0.00 36.82 40.83 1rjf h ILE 179 CO 0.92 0.77 0.09 0.74 -3.07 0.00 0.00 178.15 177.60 1rjf h THR 180 N 0.02 1.13 0.00 2.19 2.02 -1.93 -2.25 112.91 114.08 1rjf h THR 180 Ca -0.01 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 66.71 1rjf h THR 180 Cb 1.41 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 1rjf h THR 180 CO 0.11 0.13 -0.30 -0.08 0.37 0.00 0.00 175.52 175.74 1rjf h GLU 181 N 0.17 0.00 -0.13 6.66 4.81 -1.87 -2.89 114.58 121.32 1rjf h GLU 181 Ca 0.06 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.09 1rjf h GLU 181 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1rjf h GLU 181 CO -0.01 0.30 -0.74 1.15 -0.73 0.00 0.00 179.01 178.98 1rjf h THR 182 N 0.00 1.32 0.01 0.32 2.02 -1.25 -3.05 112.91 112.29 1rjf h THR 182 Ca -0.00 -2.03 -0.20 0.00 0.77 0.00 0.00 66.41 64.95 1rjf h THR 182 Cb 0.61 2.02 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 1rjf h THR 182 CO 0.04 0.63 -0.92 0.71 0.37 0.00 0.00 175.52 176.35 1rjf h THR 183 N 0.43 1.59 -0.59 3.16 1.35 -1.34 -2.77 112.91 114.74 1rjf h THR 183 Ca -0.04 -2.94 -0.10 0.00 -0.55 0.00 0.00 66.41 62.78 1rjf h THR 183 Cb 1.35 2.63 -0.02 0.00 -1.73 0.00 0.00 68.15 70.37 1rjf h THR 183 CO 0.14 0.85 -0.01 0.03 -0.25 0.00 0.00 175.52 176.28 1rjf h ARG 184 N 0.04 1.04 -0.49 4.72 3.08 -1.58 -2.46 114.38 118.74 1rjf h ARG 184 Ca -0.03 -0.33 -0.12 0.00 0.07 0.00 0.00 59.98 59.57 1rjf h ARG 184 Cb 1.60 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.54 1rjf h ARG 184 CO 0.13 1.02 -0.16 1.25 -1.07 0.00 0.00 179.97 181.15 1rjf h LEU 185 N 0.95 0.96 -0.68 3.04 5.85 -1.54 -3.06 115.31 120.83 1rjf h LEU 185 Ca 0.17 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1rjf h LEU 185 Cb 0.56 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1rjf h LEU 185 CO 0.03 1.10 0.00 -0.07 -0.34 0.00 0.00 178.44 179.16 1rjf h LEU 186 N 0.83 0.00 -0.44 2.25 3.38 -1.38 -2.93 115.31 117.02 1rjf h LEU 186 Ca 0.12 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.92 1rjf h LEU 186 Cb 0.71 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1rjf h LEU 186 CO 0.05 0.00 -0.78 0.44 0.09 0.00 0.00 178.44 178.24 1rjf h ASP 187 N 0.00 0.07 0.10 -0.43 3.32 -1.33 -2.84 116.42 115.31 1rjf h ASP 187 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1rjf h ASP 187 Cb 0.63 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1rjf h ASP 187 CO 0.00 0.82 -0.75 1.33 -1.72 0.00 0.00 179.24 178.92 1rjf n VAL 188 N -3.65 0.00 0.00 -1.35 0.24 -1.13 -4.44 118.33 107.99 1rjf n VAL 188 Ca -0.01 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1rjf n VAL 188 Cb 0.75 0.88 0.00 0.00 -1.47 0.00 0.00 33.84 34.00 1rjf n VAL 188 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rjf s THR 190 N -1.07 0.21 0.29 0.00 -4.23 -1.07 -5.03 115.64 104.74 1rjf s THR 190 Ca 0.00 -1.97 0.11 0.00 -1.18 0.00 0.00 61.69 58.65 1rjf s THR 190 Cb 0.00 -2.36 -0.05 0.00 1.34 0.00 0.00 72.50 71.43 1rjf s THR 190 CO 0.00 -0.18 -0.13 -0.54 -0.54 0.00 0.00 174.62 173.23 1rjf s LYS 191 N -4.08 1.85 0.10 3.99 -0.14 -1.26 -4.66 119.74 115.53 1rjf s LYS 191 Ca 0.33 -1.72 -0.14 0.00 -1.36 0.00 0.00 55.97 53.08 1rjf s LYS 191 Cb 0.07 -1.85 -0.12 0.00 -1.68 0.00 0.00 37.83 34.25 1rjf s LYS 191 CO 0.09 0.30 1.35 -0.09 -0.76 0.00 0.00 175.35 176.24 1rjf h ARG 192 N 2.13 0.75 0.00 1.68 2.43 -1.95 -3.34 114.38 116.07 1rjf h ARG 192 Ca -0.41 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 58.26 1rjf h ARG 192 Cb 1.26 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 1rjf h ARG 192 CO 0.62 1.12 -0.72 0.39 -1.51 0.00 0.00 179.97 179.87 1rjf n GLU 193 N -4.11 0.23 -2.49 0.20 -0.58 -1.26 -2.59 120.64 110.03 1rjf n GLU 193 Ca -0.06 0.04 -0.42 0.00 -0.42 0.00 0.00 57.16 56.30 1rjf n GLU 193 Cb 0.60 -1.62 -0.03 0.00 -0.57 0.00 0.00 31.44 29.82 1rjf n GLU 193 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1rjf s ILE 194 N -3.14 4.30 0.33 -3.67 1.01 -1.26 -4.78 121.20 113.99 1rjf s ILE 194 Ca 0.06 1.62 -0.26 0.00 0.00 0.00 0.00 60.65 62.08 1rjf s ILE 194 Cb 0.15 -4.04 -0.14 0.00 0.01 0.00 0.00 42.46 38.43 1rjf s ILE 194 CO 0.74 0.02 0.78 -2.65 0.00 0.00 0.00 174.94 173.84 1rjf n PRO 195 N 4.93 0.88 -4.13 2.79 -0.02 -1.26 -4.76 135.00 133.44 1rjf n PRO 195 Ca 0.10 0.31 -0.15 0.00 -2.02 0.00 0.00 63.50 61.74 1rjf n PRO 195 Cb 0.47 -1.62 -0.12 0.00 -0.02 0.00 0.00 33.50 32.21 1rjf n PRO 195 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1rjf s THR 196 N -1.20 0.71 -0.12 3.45 2.01 -0.78 -1.65 115.64 118.06 1rjf s THR 196 Ca 0.61 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 61.60 1rjf s THR 196 Cb -0.69 -0.72 0.02 0.00 0.01 0.00 0.00 72.50 71.11 1rjf s THR 196 CO 0.58 -0.25 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.49 1rjf s ILE 197 N -1.16 1.47 -0.25 1.82 1.01 -1.05 -1.38 121.20 121.67 1rjf s ILE 197 Ca -0.06 -0.60 -0.07 0.00 0.00 0.00 0.00 60.65 59.92 1rjf s ILE 197 Cb -0.09 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 1rjf s ILE 197 CO 0.01 0.44 0.07 -0.69 0.00 0.00 0.00 174.94 174.77 1rjf s VAL 198 N 1.25 4.29 -0.33 2.92 1.01 -0.85 -1.05 120.40 127.64 1rjf s VAL 198 Ca -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 1rjf s VAL 198 Cb -0.14 -3.01 0.04 0.00 0.00 0.00 0.00 36.38 33.28 1rjf s VAL 198 CO -0.06 0.34 0.08 -0.63 0.00 0.00 0.00 175.10 174.83 1rjf s ILE 199 N 1.61 3.56 -0.95 2.22 1.01 -1.09 -1.45 121.20 126.11 1rjf s ILE 199 Ca 0.06 -1.23 -0.02 0.00 0.00 0.00 0.00 60.65 59.46 1rjf s ILE 199 Cb -0.15 -3.03 0.27 0.00 0.01 0.00 0.00 42.46 39.55 1rjf s ILE 199 CO 0.03 -0.17 1.07 -1.54 0.00 0.00 0.00 174.94 174.33 1rjf n SER 200 N 4.76 5.10 -4.54 3.58 3.41 -1.06 -0.94 113.62 123.93 1rjf n SER 200 Ca -0.12 -3.27 -0.43 0.00 -0.26 0.00 0.00 58.87 54.79 1rjf n SER 200 Cb 0.44 -1.11 -0.04 0.00 -0.26 0.00 0.00 64.21 63.24 1rjf n SER 200 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1rjf s GLU 201 N -2.06 3.41 -1.32 4.33 2.12 -1.25 -2.98 118.70 120.95 1rjf s GLU 201 Ca 0.32 -0.09 -0.06 0.00 0.36 0.00 0.00 54.97 55.49 1rjf s GLU 201 Cb 0.01 -4.01 0.01 0.00 0.26 0.00 0.00 34.13 30.39 1rjf s GLU 201 CO -0.02 -1.43 1.14 0.00 -0.54 0.00 0.00 175.26 174.40 1rjf n LEU 203 N -4.77 0.67 0.26 0.00 7.94 -1.26 -4.78 117.00 115.06 1rjf n LEU 203 Ca -0.07 0.11 0.16 0.00 -1.11 0.00 0.00 56.01 55.09 1rjf n LEU 203 Cb 0.59 -0.25 0.61 0.00 0.53 0.00 0.00 43.42 44.89 1rjf n LEU 203 CO 0.64 -0.03 0.96 -0.07 -1.11 0.00 0.00 177.39 177.78 1rjf h LEU 204 N -0.25 0.00 -0.81 -1.96 3.38 -1.89 -2.92 115.31 110.86 1rjf h LEU 204 Ca -0.13 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1rjf h LEU 204 Cb 0.95 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1rjf h LEU 204 CO -0.08 0.00 -0.14 0.00 0.09 0.00 0.00 178.44 178.31 1rjf h TYR 206 N 0.68 0.00 -3.40 0.00 -1.99 -1.74 -3.27 116.97 107.25 1rjf h TYR 206 Ca 0.11 0.00 -0.50 0.00 2.00 0.00 0.00 58.73 60.34 1rjf h TYR 206 Cb 0.61 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.35 1rjf h TYR 206 CO 0.03 0.00 -0.01 -1.64 -0.00 0.00 0.00 178.16 176.54 1rjf s MET 207 N -3.15 3.65 0.91 4.88 -1.94 -1.15 -4.66 119.30 117.84 1rjf s MET 207 Ca 0.09 0.16 -0.13 0.00 -1.71 0.00 0.00 55.69 54.11 1rjf s MET 207 Cb 0.10 -2.51 0.14 0.00 2.01 0.00 0.00 34.83 34.57 1rjf s MET 207 CO 0.62 0.04 1.15 -1.01 -0.01 0.00 0.00 175.02 175.81 1rjf s HIS 208 N -2.34 2.47 0.31 -0.03 3.76 -1.26 -4.39 115.29 113.81 1rjf s HIS 208 Ca 0.47 0.81 0.16 0.00 -0.15 0.00 0.00 55.06 56.35 1rjf s HIS 208 Cb -0.10 -3.43 0.75 0.00 1.11 0.00 0.00 32.58 30.90 1rjf s HIS 208 CO 0.34 -2.36 1.80 -0.97 -0.85 0.00 0.00 174.74 172.71 1rjf h ASN 209 N -1.49 0.00 -0.07 1.40 -0.00 -1.93 -2.65 115.58 110.83 1rjf h ASN 209 Ca -0.50 0.00 -0.23 0.00 -0.00 0.00 0.00 56.30 55.58 1rjf h ASN 209 Cb 1.33 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 39.66 1rjf h ASN 209 CO 0.61 0.38 -0.84 0.78 -0.00 0.00 0.00 177.43 178.36 1rjf h ASN 210 N 0.00 0.86 0.63 1.15 2.35 -1.99 -2.64 115.58 115.94 1rjf h ASN 210 Ca -0.00 -0.69 -0.18 0.00 -0.55 0.00 0.00 56.30 54.88 1rjf h ASN 210 Cb 0.74 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 1rjf h ASN 210 CO 0.05 1.42 -0.82 -0.33 -1.65 0.00 0.00 177.43 176.10 1rjf h GLU 211 N 0.38 0.14 0.18 0.81 3.07 -1.90 -2.96 114.58 114.30 1rjf h GLU 211 Ca -0.08 -0.14 -0.30 0.00 -0.50 0.00 0.00 59.36 58.33 1rjf h GLU 211 Cb 1.49 0.04 0.02 0.00 -0.84 0.00 0.00 28.75 29.45 1rjf h GLU 211 CO 0.17 0.88 -1.36 0.66 -1.40 0.00 0.00 179.01 177.96 1rjf h SER 212 N 0.08 0.59 0.42 1.42 4.64 -1.57 -2.88 113.55 116.26 1rjf h SER 212 Ca -0.03 -0.64 -0.16 0.00 -0.47 0.00 0.00 61.79 60.49 1rjf h SER 212 Cb 1.43 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1rjf h SER 212 CO 0.12 1.51 -0.69 -0.61 -0.87 0.00 0.00 176.83 176.29 1rjf h GLN 213 N 0.10 0.23 0.00 4.77 5.75 -1.56 -2.40 115.11 122.00 1rjf h GLN 213 Ca -0.19 -0.18 -0.11 0.00 -0.15 0.00 0.00 58.65 58.02 1rjf h GLN 213 Cb 2.06 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 30.63 1rjf h GLN 213 CO 0.23 0.83 -0.53 1.25 -2.65 0.00 0.00 178.83 177.96 1rjf h LEU 214 N 0.16 0.00 -0.48 -2.39 5.85 -1.62 -2.45 115.31 114.37 1rjf h LEU 214 Ca -0.02 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.54 1rjf h LEU 214 Cb 1.23 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1rjf h LEU 214 CO 0.11 0.53 -0.76 0.25 -0.34 0.00 0.00 178.44 178.23 1rjf h LEU 215 N 0.00 0.01 0.08 2.25 5.85 -1.39 -2.75 115.31 119.35 1rjf h LEU 215 Ca -0.01 -0.01 -0.25 0.00 0.84 0.00 0.00 57.88 58.45 1rjf h LEU 215 Cb 1.21 -0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.26 1rjf h LEU 215 CO 0.07 0.77 -1.03 0.40 -0.34 0.00 0.00 178.44 178.30 1rjf h ILE 216 N 0.01 1.34 0.00 4.05 2.04 -1.35 -3.10 117.51 120.49 1rjf h ILE 216 Ca -0.01 -2.35 -0.15 0.00 1.00 0.00 0.00 64.86 63.36 1rjf h ILE 216 Cb 1.34 2.68 -0.02 0.00 -0.74 0.00 0.00 36.82 40.08 1rjf h ILE 216 CO 0.10 0.71 -0.69 0.78 0.00 0.00 0.00 178.15 179.04 1rjf h ASN 217 N 0.15 0.00 0.14 1.72 2.35 -1.52 -2.92 115.58 115.50 1rjf h ASN 217 Ca -0.15 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.40 1rjf h ASN 217 Cb 1.72 0.00 0.02 0.00 0.05 0.00 0.00 38.32 40.12 1rjf h ASN 217 CO 0.20 0.69 -0.88 0.74 -1.65 0.00 0.00 177.43 176.53 1rjf h THR 218 N 0.00 1.48 -0.19 2.81 2.02 -1.60 -3.00 112.91 114.42 1rjf h THR 218 Ca -0.01 -2.52 -0.19 0.00 0.77 0.00 0.00 66.41 64.46 1rjf h THR 218 Cb 1.35 3.13 0.00 0.00 -1.74 0.00 0.00 68.15 70.89 1rjf h THR 218 CO 0.09 0.72 -0.65 0.40 0.37 0.00 0.00 175.52 176.45 1rjf h ILE 219 N -0.28 1.30 -0.53 3.11 2.04 -1.64 -1.67 117.51 119.83 1rjf h ILE 219 Ca -0.15 -1.89 -0.09 0.00 1.00 0.00 0.00 64.86 63.73 1rjf h ILE 219 Cb 1.68 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 39.59 1rjf h ILE 219 CO 0.17 0.60 -0.04 0.24 0.00 0.00 0.00 178.15 179.11 1rjf h MET 220 N 0.52 0.94 0.00 2.37 2.86 -1.66 -2.81 114.93 117.15 1rjf h MET 220 Ca -0.02 -0.30 -0.06 0.00 -2.06 0.00 0.00 59.70 57.26 1rjf h MET 220 Cb 1.25 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.82 1rjf h MET 220 CO 0.13 0.96 -0.31 0.77 1.06 0.00 0.00 176.91 179.52 1rjf h SER 221 N 0.86 0.00 0.97 1.22 0.02 -1.49 -3.25 113.55 111.88 1rjf h SER 221 Ca 0.15 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.99 1rjf h SER 221 Cb 0.56 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 1rjf h SER 221 CO 0.03 0.31 -0.51 0.11 -1.14 0.00 0.00 176.83 175.63 1rjf h LYS 222 N 0.00 0.00 -6.53 3.45 1.57 -1.04 -3.45 116.57 110.58 1rjf h LYS 222 Ca -0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.12 1rjf h LYS 222 Cb 0.93 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.09 1rjf h LYS 222 CO 0.04 0.51 -0.73 -0.06 -0.57 0.00 0.00 179.45 178.63 1rjf s PHE 223 N -3.37 2.71 -0.15 -1.35 0.08 -1.17 -4.67 117.98 110.06 1rjf s PHE 223 Ca 0.01 -0.18 0.19 0.00 0.12 0.00 0.00 56.93 57.07 1rjf s PHE 223 Cb 0.10 -1.39 -0.13 0.00 -0.57 0.00 0.00 43.02 41.03 1rjf s PHE 223 CO 0.72 0.45 0.79 0.43 -0.10 0.00 0.00 175.22 177.51 1rjf n SER 224 N 0.50 0.70 -3.75 1.36 7.64 -1.07 -4.86 113.62 114.14 1rjf n SER 224 Ca -0.13 0.29 -0.17 0.00 1.01 0.00 0.00 58.87 59.88 1rjf n SER 224 Cb 0.53 0.51 -0.17 0.00 -1.01 0.00 0.00 64.21 64.08 1rjf n SER 224 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1rjf s HIS 225 N -3.08 0.10 0.23 1.43 5.65 -1.26 -1.98 115.29 116.37 1rjf s HIS 225 Ca -0.03 0.13 -0.16 0.00 0.25 0.00 0.00 55.06 55.25 1rjf s HIS 225 Cb 0.09 -0.34 0.06 0.00 -1.18 0.00 0.00 32.58 31.21 1rjf s HIS 225 CO 0.82 -0.13 0.78 0.41 -0.65 0.00 0.00 174.74 175.97 1rjf n GLY 226 N 4.48 0.89 3.22 1.59 0.00 -1.17 -1.87 105.19 112.33 1rjf n GLY 226 Ca -0.21 -1.16 0.03 0.00 0.00 0.00 0.00 46.02 44.69 1rjf n GLY 226 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rjf s LEU 227 N 0.00 -1.32 -0.50 0.99 2.96 -0.48 -3.40 118.68 116.94 1rjf s LEU 227 Ca 0.17 0.96 -0.16 0.00 -0.22 0.00 0.00 54.13 54.87 1rjf s LEU 227 Cb -0.03 2.16 0.08 0.00 0.50 0.00 0.00 46.19 48.90 1rjf s LEU 227 CO 0.07 -0.25 0.48 0.86 -1.32 0.00 0.00 176.35 176.19 1rjf s TRP 228 N 2.87 3.19 -0.39 5.38 -0.11 -0.51 -2.01 118.94 127.36 1rjf s TRP 228 Ca 0.16 -0.93 -0.19 0.00 1.22 0.00 0.00 56.10 56.37 1rjf s TRP 228 Cb -0.14 -3.41 0.01 0.00 -1.50 0.00 0.00 33.47 28.42 1rjf s TRP 228 CO -0.20 -0.92 0.54 0.42 -4.62 0.00 0.00 176.95 172.17 1rjf s ILE 229 N 1.89 4.97 -0.14 5.86 1.01 -0.52 -2.69 121.20 131.58 1rjf s ILE 229 Ca 0.06 0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.89 1rjf s ILE 229 Cb -0.24 -4.04 0.02 0.00 0.01 0.00 0.00 42.46 38.20 1rjf s ILE 229 CO 0.07 -0.35 -0.14 -0.55 0.00 0.00 0.00 174.94 173.96 1rjf s SER 230 N 1.83 2.60 -0.13 3.58 0.15 -0.88 -2.55 113.70 118.30 1rjf s SER 230 Ca 0.19 -0.46 -0.03 0.00 0.70 0.00 0.00 55.95 56.34 1rjf s SER 230 Cb -0.15 -1.14 -0.03 0.00 -1.71 0.00 0.00 66.02 62.99 1rjf s SER 230 CO 0.15 -0.04 -0.02 -0.47 1.20 0.00 0.00 173.24 174.06 1rjf s TYR 231 N 1.38 3.08 0.14 3.44 5.04 -1.16 -2.23 117.35 127.03 1rjf s TYR 231 Ca 0.02 -0.09 -0.25 0.00 -2.44 0.00 0.00 57.07 54.32 1rjf s TYR 231 Cb -0.13 -1.90 0.07 0.00 0.35 0.00 0.00 41.96 40.34 1rjf s TYR 231 CO -0.08 0.16 0.81 -0.51 -1.34 0.00 0.00 175.55 174.59 1rjf s ASP 232 N -0.10 -0.33 0.26 4.32 1.01 -1.24 -2.48 116.67 118.12 1rjf s ASP 232 Ca 0.03 -0.24 -0.07 0.00 0.71 0.00 0.00 52.55 52.98 1rjf s ASP 232 Cb -0.13 0.53 -0.06 0.00 1.01 0.00 0.00 42.92 44.28 1rjf s ASP 232 CO 0.02 -0.93 0.55 -2.16 0.21 0.00 0.00 175.17 172.86 1rjf s PRO 233 N -3.47 3.70 0.10 8.23 0.04 -1.26 -1.87 135.00 140.47 1rjf s PRO 233 Ca 0.07 0.12 0.08 0.00 0.04 0.00 0.00 61.00 61.32 1rjf s PRO 233 Cb -0.02 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 1rjf s PRO 233 CO -0.03 0.25 -0.21 0.96 0.04 0.00 0.00 177.00 178.01 1rjf s ILE 234 N -1.98 1.71 -0.63 0.56 -4.36 -1.02 -4.90 121.20 110.59 1rjf s ILE 234 Ca 0.45 -1.56 0.24 0.00 -0.26 0.00 0.00 60.65 59.53 1rjf s ILE 234 Cb -0.11 -1.56 0.26 0.00 1.25 0.00 0.00 42.46 42.29 1rjf s ILE 234 CO 0.26 -0.07 1.73 0.61 0.24 0.00 0.00 174.94 177.72 1rjf n GLY 235 N 1.06 -1.43 0.00 6.27 0.00 -1.13 -4.71 105.19 105.25 1rjf n GLY 235 Ca -0.19 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1rjf n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rjf n GLY 236 N 0.56 0.10 0.09 -0.02 0.00 -0.49 -2.59 105.19 102.85 1rjf n GLY 236 Ca 0.04 -1.30 -0.04 0.00 0.00 0.00 0.00 46.02 44.72 1rjf n GLY 236 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rjf h SER 237 N 0.00 0.00 -3.95 1.61 4.64 -1.90 -3.45 113.55 110.49 1rjf h SER 237 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1rjf h SER 237 Cb 0.00 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 62.22 1rjf h SER 237 CO 0.00 0.78 0.62 0.00 -0.87 0.00 0.00 176.83 177.35 1rjf n GLN 238 N -3.00 1.89 -2.57 4.77 3.00 -1.26 -4.99 117.38 115.22 1rjf n GLN 238 Ca -0.11 0.68 -0.35 0.00 -0.01 0.00 0.00 57.00 57.21 1rjf n GLN 238 Cb 0.93 -2.57 -0.04 0.00 0.00 0.00 0.00 30.24 28.56 1rjf n GLN 238 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1rjf s PRO 239 N -2.68 4.03 -1.58 -1.09 0.04 -1.26 -3.11 135.00 129.35 1rjf s PRO 239 Ca 0.67 1.42 0.00 0.00 0.04 0.00 0.00 61.00 63.13 1rjf s PRO 239 Cb -0.44 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 31.77 1rjf s PRO 239 CO 0.53 -0.25 0.00 -1.71 0.04 0.00 0.00 177.00 175.61 1rjf n ASN 240 N -0.47 -4.86 -4.39 6.66 5.15 -1.26 -4.98 115.26 111.11 1rjf n ASN 240 Ca 0.07 0.26 -0.45 0.00 -0.60 0.00 0.00 54.58 53.87 1rjf n ASN 240 Cb 0.51 -3.83 -0.06 0.00 -0.53 0.00 0.00 39.78 35.87 1rjf n ASN 240 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1rjf s ASP 241 N -2.66 6.18 -0.33 1.20 -1.08 -1.18 -4.94 116.67 113.86 1rjf s ASP 241 Ca 0.00 -1.30 0.06 0.00 -0.52 0.00 0.00 52.55 50.79 1rjf s ASP 241 Cb 0.00 -2.24 0.62 0.00 -1.46 0.00 0.00 42.92 39.83 1rjf s ASP 241 CO 0.00 -0.85 1.72 0.54 0.52 0.00 0.00 175.17 177.11 1rjf n ARG 242 N 5.72 2.79 -0.07 4.34 1.74 -1.26 -4.39 116.66 125.53 1rjf n ARG 242 Ca -0.10 -2.63 -0.15 0.00 -0.77 0.00 0.00 57.85 54.20 1rjf n ARG 242 Cb 0.43 -2.06 -0.05 0.00 -1.02 0.00 0.00 32.46 29.76 1rjf n ARG 242 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1rjf h PHE 243 N 1.67 0.94 -0.06 -1.55 3.57 -1.93 -2.15 116.94 117.44 1rjf h PHE 243 Ca 0.38 -0.33 -0.16 0.00 3.53 0.00 0.00 57.97 61.39 1rjf h PHE 243 Cb 2.36 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 40.91 1rjf h PHE 243 CO 1.24 1.12 -0.66 0.78 -2.23 0.00 0.00 178.31 178.56 1rjf h GLY 244 N 0.49 0.27 2.00 2.40 0.00 -1.70 -2.49 103.07 104.04 1rjf h GLY 244 Ca 0.01 -0.36 -0.14 0.00 0.00 0.00 0.00 47.33 46.84 1rjf h GLY 244 CO 0.10 0.33 -0.68 0.00 0.00 0.00 0.00 176.54 176.29 1rjf h ALA 245 N 1.13 0.74 0.00 3.60 0.00 -1.84 -2.97 119.26 119.92 1rjf h ALA 245 Ca -0.01 -0.62 -0.21 0.00 0.00 0.00 0.00 54.91 54.06 1rjf h ALA 245 Cb 1.20 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1rjf h ALA 245 CO 0.10 0.85 -1.08 0.82 0.00 0.00 0.00 179.25 179.94 1rjf h ILE 246 N 0.00 1.51 -0.02 0.00 2.04 -1.37 -3.03 117.51 116.64 1rjf h ILE 246 Ca -0.01 -3.21 -0.25 0.00 1.00 0.00 0.00 64.86 62.39 1rjf h ILE 246 Cb 1.31 2.74 0.02 0.00 -0.74 0.00 0.00 36.82 40.15 1rjf h ILE 246 CO 0.09 0.86 -0.98 -0.03 0.00 0.00 0.00 178.15 178.09 1rjf h MET 247 N 0.00 0.70 -0.10 2.37 4.05 -1.48 -2.69 114.93 117.79 1rjf h MET 247 Ca -0.05 -0.72 -0.16 0.00 -0.28 0.00 0.00 59.70 58.48 1rjf h MET 247 Cb 1.78 0.20 0.01 0.00 -0.80 0.00 0.00 31.60 32.78 1rjf h MET 247 CO 0.12 1.30 -0.57 1.96 0.23 0.00 0.00 176.91 179.95 1rjf h GLN 248 N 0.38 0.56 -0.05 0.39 4.20 -1.65 -2.82 115.11 116.12 1rjf h GLN 248 Ca -0.12 -0.47 -0.17 0.00 0.06 0.00 0.00 58.65 57.95 1rjf h GLN 248 Cb 1.63 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 29.50 1rjf h GLN 248 CO 0.19 1.10 -0.70 0.66 -0.67 0.00 0.00 178.83 179.41 1rjf h SER 249 N 0.17 0.30 0.62 1.46 4.64 -1.65 -2.66 113.55 116.44 1rjf h SER 249 Ca -0.04 -0.20 -0.17 0.00 -0.47 0.00 0.00 61.79 60.91 1rjf h SER 249 Cb 1.22 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 1rjf h SER 249 CO 0.12 0.91 -0.78 -1.13 -0.87 0.00 0.00 176.83 175.07 1rjf h ASN 250 N 0.18 0.15 1.14 4.97 -1.24 -1.57 -2.95 115.58 116.26 1rjf h ASN 250 Ca -0.02 -0.11 -0.06 0.00 0.71 0.00 0.00 56.30 56.82 1rjf h ASN 250 Cb 1.25 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 40.25 1rjf h ASN 250 CO 0.11 0.87 -0.27 -0.07 -1.29 0.00 0.00 177.43 176.78 1rjf h LEU 251 N 0.07 0.00 0.24 0.34 3.38 -1.46 -3.07 115.31 114.81 1rjf h LEU 251 Ca -0.02 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.61 1rjf h LEU 251 Cb 1.37 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.16 1rjf h LEU 251 CO 0.11 0.27 -1.48 0.50 0.09 0.00 0.00 178.44 177.93 1rjf h LYS 252 N 0.00 0.50 -0.03 1.13 1.63 -1.39 -1.30 116.57 117.11 1rjf h LYS 252 Ca -0.00 -0.85 -0.21 0.00 -0.85 0.00 0.00 60.65 58.73 1rjf h LYS 252 Cb 0.91 0.32 0.02 0.00 -0.60 0.00 0.00 32.23 32.88 1rjf h LYS 252 CO 0.03 1.40 -0.82 0.93 -3.45 0.00 0.00 179.45 177.55 1rjf h GLU 253 N 0.14 0.61 0.00 1.90 5.08 -1.60 -2.99 114.58 117.72 1rjf h GLU 253 Ca -0.25 -0.61 0.00 0.00 -1.00 0.00 0.00 59.36 57.49 1rjf h GLU 253 Cb 2.15 0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.56 1rjf h GLU 253 CO 0.26 1.22 -1.31 -1.13 -1.00 0.00 0.00 179.01 177.06 1rjf n SER 254 N -4.02 0.70 0.00 1.42 3.41 -1.16 -4.68 113.62 109.29 1rjf n SER 254 Ca -0.10 -0.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 1rjf n SER 254 Cb 0.77 1.34 0.00 0.00 -0.26 0.00 0.00 64.21 66.07 1rjf n SER 254 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1rjf n ARG 255 N -1.74 3.49 -3.66 4.33 1.74 -0.97 -5.05 116.66 114.80 1rjf n ARG 255 Ca 0.01 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.84 1rjf n ARG 255 Cb 0.39 -0.47 0.07 0.00 -1.02 0.00 0.00 32.46 31.43 1rjf n ARG 255 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1rjf n ASN 256 N -0.38 -5.93 -4.35 0.55 2.85 -0.53 -4.97 115.26 102.50 1rjf n ASN 256 Ca 0.00 -0.59 -0.18 0.00 -0.11 0.00 0.00 54.58 53.69 1rjf n ASN 256 Cb 0.00 -4.80 -0.10 0.00 1.24 0.00 0.00 39.78 36.12 1rjf n ASN 256 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1rjf s LEU 257 N -7.28 2.51 0.08 1.20 2.96 -1.05 -4.99 118.68 112.11 1rjf s LEU 257 Ca 0.59 -1.07 0.07 0.00 -0.22 0.00 0.00 54.13 53.49 1rjf s LEU 257 Cb -0.27 -0.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.79 1rjf s LEU 257 CO 0.75 -0.25 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.73 1rjf s GLU 258 N -3.69 1.05 -0.63 1.98 2.02 -1.26 -3.93 118.70 114.24 1rjf s GLU 258 Ca 0.24 -1.05 0.05 0.00 0.02 0.00 0.00 54.97 54.22 1rjf s GLU 258 Cb 0.01 -1.21 0.16 0.00 0.10 0.00 0.00 34.13 33.18 1rjf s GLU 258 CO 0.07 0.28 0.41 -1.64 0.02 0.00 0.00 175.26 174.41 1rjf s MET 259 N -1.73 2.23 0.41 1.61 -1.94 -1.26 -4.50 119.30 114.12 1rjf s MET 259 Ca 0.04 -3.05 0.09 0.00 -1.71 0.00 0.00 55.69 51.06 1rjf s MET 259 Cb -0.10 -3.29 0.86 0.00 2.01 0.00 0.00 34.83 34.32 1rjf s MET 259 CO 0.03 -1.23 1.99 -1.35 -0.01 0.00 0.00 175.02 174.44 1rjf h PRO 260 N 5.77 0.32 -0.79 2.03 0.11 -1.76 -3.06 132.00 134.62 1rjf h PRO 260 Ca 0.08 -0.05 -0.55 0.00 0.11 0.00 0.00 66.00 65.59 1rjf h PRO 260 Cb 0.81 -0.06 -0.36 0.00 0.11 0.00 0.00 31.00 31.50 1rjf h PRO 260 CO 0.69 0.33 -0.23 0.25 -0.21 0.00 0.00 178.00 178.84 1rjf n THR 261 N -4.37 2.88 -0.03 -1.15 -2.24 -1.26 -4.65 114.28 103.46 1rjf n THR 261 Ca 0.00 -3.68 -0.18 0.00 -2.27 0.00 0.00 64.05 57.92 1rjf n THR 261 Cb 0.18 -1.07 -0.13 0.00 -2.10 0.00 0.00 70.33 67.21 1rjf n THR 261 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1rjf h LEU 262 N 2.01 0.19 -0.37 3.22 5.85 -1.85 -3.19 115.31 121.17 1rjf h LEU 262 Ca 0.43 -0.91 -0.07 0.00 0.84 0.00 0.00 57.88 58.17 1rjf h LEU 262 Cb 1.32 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1rjf h LEU 262 CO 0.98 1.26 -0.35 0.24 -0.34 0.00 0.00 178.44 180.24 1rjf h MET 263 N -0.72 0.00 0.22 1.25 2.86 -1.84 -2.97 114.93 113.73 1rjf h MET 263 Ca -0.13 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1rjf h MET 263 Cb 1.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.99 1rjf h MET 263 CO 0.03 0.35 -0.11 1.15 1.06 0.00 0.00 176.91 179.38 1rjf h THR 264 N 0.00 0.82 -2.43 2.22 2.02 -1.85 -3.31 112.91 110.39 1rjf h THR 264 Ca -0.00 -0.80 -0.80 0.00 0.77 0.00 0.00 66.41 65.57 1rjf h THR 264 Cb 1.12 1.25 -0.26 0.00 -1.74 0.00 0.00 68.15 68.52 1rjf h THR 264 CO 0.04 0.16 1.05 -1.22 0.37 0.00 0.00 175.52 175.92 1rjf n TYR 265 N -5.04 2.54 1.33 3.16 4.02 -1.20 -4.80 117.16 117.17 1rjf n TYR 265 Ca -0.09 -2.58 0.15 0.00 -0.01 0.00 0.00 57.90 55.37 1rjf n TYR 265 Cb 0.26 -1.28 0.72 0.00 -0.02 0.00 0.00 39.34 39.02 1rjf n TYR 265 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1rjf n ASN 266 N 0.71 0.02 -4.52 7.72 6.94 -1.21 -4.37 115.26 120.56 1rjf n ASN 266 Ca 0.39 -0.03 -0.24 0.00 -0.02 0.00 0.00 54.58 54.68 1rjf n ASN 266 Cb 0.29 -0.32 -0.11 0.00 -2.36 0.00 0.00 39.78 37.29 1rjf n ASN 266 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1rjf s SER 267 N -2.66 3.01 0.48 0.53 1.04 -1.26 -1.39 113.70 113.44 1rjf s SER 267 Ca 0.25 -1.39 0.27 0.00 0.48 0.00 0.00 55.95 55.56 1rjf s SER 267 Cb 0.20 -0.18 0.70 0.00 0.10 0.00 0.00 66.02 66.84 1rjf s SER 267 CO 0.48 -0.56 1.74 0.07 0.98 0.00 0.00 173.24 175.95 1rjf h LYS 268 N 1.96 0.00 0.08 4.02 2.10 -1.94 -2.86 116.57 119.93 1rjf h LYS 268 Ca -0.42 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 57.99 1rjf h LYS 268 Cb 1.24 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.60 1rjf h LYS 268 CO 0.74 0.01 -0.98 0.93 -2.00 0.00 0.00 179.45 178.15 1rjf h GLU 269 N 0.00 0.52 -0.15 0.07 3.07 -1.96 -2.95 114.58 113.18 1rjf h GLU 269 Ca -0.00 -0.67 -0.13 0.00 -0.50 0.00 0.00 59.36 58.06 1rjf h GLU 269 Cb 0.83 0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.95 1rjf h GLU 269 CO 0.00 1.28 -0.47 0.87 -1.40 0.00 0.00 179.01 179.29 1rjf h LYS 270 N 0.07 0.37 -0.65 2.33 1.57 -1.93 -2.50 116.57 115.84 1rjf h LYS 270 Ca -0.15 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.34 1rjf h LYS 270 Cb 1.69 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.99 1rjf h LYS 270 CO 0.19 0.77 0.07 -0.92 -0.57 0.00 0.00 179.45 178.98 1rjf h TYR 271 N 0.30 1.18 0.00 -1.35 3.20 -1.60 -3.01 116.97 115.69 1rjf h TYR 271 Ca 0.02 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.71 1rjf h TYR 271 Cb 0.94 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.89 1rjf h TYR 271 CO 0.03 1.00 0.00 0.00 -1.64 0.00 0.00 178.16 177.55 1rjf h ALA 272 N 1.03 1.00 0.00 1.82 0.00 -1.34 -3.08 119.26 118.68 1rjf h ALA 272 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1rjf h ALA 272 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1rjf h ALA 272 CO 0.02 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.14 1rjf n SER 273 N -2.51 0.38 0.17 0.00 3.41 -0.96 -2.93 113.62 111.19 1rjf n SER 273 Ca 0.03 0.56 0.02 0.00 -0.26 0.00 0.00 58.87 59.22 1rjf n SER 273 Cb 0.36 -0.65 0.31 0.00 -0.26 0.00 0.00 64.21 63.96 1rjf n SER 273 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1rjf h ARG 274 N 0.00 0.00 -0.97 4.33 3.08 -1.65 -2.95 114.38 116.22 1rjf h ARG 274 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 1rjf h ARG 274 Cb 0.50 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.25 1rjf h ARG 274 CO 0.00 0.45 0.70 0.91 -1.07 0.00 0.00 179.97 180.96 1rjf n TRP 275 N -3.87 3.19 0.28 3.04 8.01 -1.15 -4.69 117.44 122.25 1rjf n TRP 275 Ca -0.01 -2.95 0.17 0.00 -1.31 0.00 0.00 57.50 53.40 1rjf n TRP 275 Cb 0.49 -1.34 0.63 0.00 -2.01 0.00 0.00 31.31 29.09 1rjf n TRP 275 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1rjf h SER 276 N 2.01 0.00 -0.35 -0.99 4.64 -1.65 -2.91 113.55 114.31 1rjf h SER 276 Ca 0.58 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.86 1rjf h SER 276 Cb 0.90 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.96 1rjf h SER 276 CO 1.51 0.00 0.07 0.00 -0.87 0.00 0.00 176.83 177.54 1rjf h ALA 277 N 2.01 1.33 -2.72 5.18 0.00 -1.87 -3.42 119.26 119.76 1rjf h ALA 277 Ca 0.00 -0.19 -0.51 0.00 0.00 0.00 0.00 54.91 54.21 1rjf h ALA 277 Cb 0.56 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1rjf h ALA 277 CO 0.00 0.47 0.50 0.00 0.00 0.00 0.00 179.25 180.22 1rjf s ALA 278 N -5.11 3.41 -0.64 0.00 0.00 -1.10 -4.96 121.76 113.36 1rjf s ALA 278 Ca -0.08 0.90 0.25 0.00 0.00 0.00 0.00 51.96 53.03 1rjf s ALA 278 Cb 0.16 -3.36 0.86 0.00 0.00 0.00 0.00 23.12 20.77 1rjf s ALA 278 CO 0.78 -0.25 1.76 -0.35 0.00 0.00 0.00 175.76 177.70 1rjf n PRO 279 N 1.92 0.25 -3.73 0.00 -0.04 -1.25 -4.50 135.00 127.65 1rjf n PRO 279 Ca 0.02 0.29 -0.29 0.00 -0.04 0.00 0.00 63.50 63.48 1rjf n PRO 279 Cb 0.45 -1.84 -0.12 0.00 -0.04 0.00 0.00 33.50 31.95 1rjf n PRO 279 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1rjf s ASN 280 N -4.51 3.62 -0.25 3.54 2.47 -1.19 -5.06 114.94 113.56 1rjf s ASN 280 Ca 0.08 -3.11 -0.04 0.00 0.42 0.00 0.00 52.86 50.21 1rjf s ASN 280 Cb 0.11 -1.15 0.01 0.00 -1.45 0.00 0.00 41.25 38.77 1rjf s ASN 280 CO 0.54 -0.19 -0.02 -0.69 -3.72 0.00 0.00 177.10 173.02 1rjf s VAL 281 N -0.30 3.33 0.12 -5.21 1.01 -1.26 -1.72 120.40 116.35 1rjf s VAL 281 Ca 0.23 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.48 1rjf s VAL 281 Cb -0.13 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1rjf s VAL 281 CO -0.09 0.24 0.08 -0.63 0.00 0.00 0.00 175.10 174.70 1rjf s ILE 282 N 1.42 4.39 -0.24 2.22 1.01 -1.14 -5.01 121.20 123.84 1rjf s ILE 282 Ca 0.03 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.60 1rjf s ILE 282 Cb -0.16 -3.16 0.08 0.00 0.01 0.00 0.00 42.46 39.23 1rjf s ILE 282 CO -0.02 0.03 0.58 0.54 0.00 0.00 0.00 174.94 176.07 1rjf s VAL 283 N -1.52 -0.20 -0.02 2.92 0.11 -1.26 -2.16 120.40 118.27 1rjf s VAL 283 Ca 0.29 0.04 -0.01 0.00 -2.93 0.00 0.00 61.98 59.37 1rjf s VAL 283 Cb -0.11 -0.86 0.01 0.00 -1.53 0.00 0.00 36.38 33.89 1rjf s VAL 283 CO 0.22 0.02 0.04 0.20 -3.33 0.00 0.00 175.10 172.24 1rjf s ASN 284 N 1.83 -0.01 0.91 3.54 0.01 -1.18 -5.01 114.94 115.03 1rjf s ASN 284 Ca -0.09 0.07 -0.12 0.00 -0.71 0.00 0.00 52.86 52.02 1rjf s ASN 284 Cb -0.08 0.03 0.14 0.00 0.41 0.00 0.00 41.25 41.76 1rjf s ASN 284 CO -0.17 -0.06 1.09 1.51 -1.51 0.00 0.00 177.10 177.96 1rjf s ASP 285 N 0.43 3.28 0.11 -1.22 -4.77 -1.26 -2.15 116.67 111.09 1rjf s ASP 285 Ca -0.03 1.53 0.24 0.00 -3.30 0.00 0.00 52.55 50.98 1rjf s ASP 285 Cb -0.05 -2.20 0.93 0.00 -1.09 0.00 0.00 42.92 40.52 1rjf s ASP 285 CO -0.01 -2.77 1.74 0.23 0.70 0.00 0.00 175.17 175.06 1rjf n MET 286 N -3.97 0.11 0.08 2.11 2.81 -0.90 -2.09 117.12 115.28 1rjf n MET 286 Ca 0.07 0.20 -0.13 0.00 -1.81 0.00 0.00 57.70 56.04 1rjf n MET 286 Cb 0.55 -1.66 -0.06 0.00 -0.71 0.00 0.00 33.22 31.34 1rjf n MET 286 CO 0.00 0.00 0.00 2.35 1.51 0.00 0.00 175.97 179.83 1rjf h TRP 287 N 0.00 0.48 -0.03 2.03 2.91 -1.86 -2.70 115.95 116.80 1rjf h TRP 287 Ca 0.00 -0.29 -0.13 0.00 1.13 0.00 0.00 58.89 59.60 1rjf h TRP 287 Cb 0.48 -0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 29.07 1rjf h TRP 287 CO 0.00 1.13 -0.58 0.93 -1.03 0.00 0.00 178.44 178.90 1rjf h GLU 288 N 0.15 0.09 0.00 2.65 5.08 -1.77 -2.76 114.58 118.02 1rjf h GLU 288 Ca -0.08 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.12 1rjf h GLU 288 Cb 1.66 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.90 1rjf h GLU 288 CO 0.16 0.64 -0.46 0.82 -1.00 0.00 0.00 179.01 179.17 1rjf h ILE 289 N 0.07 0.96 -0.11 3.13 2.04 -1.51 -2.09 117.51 119.98 1rjf h ILE 289 Ca -0.00 -1.86 -0.14 0.00 1.00 0.00 0.00 64.86 63.86 1rjf h ILE 289 Cb 1.04 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 39.24 1rjf h ILE 289 CO 0.08 0.45 -0.52 0.15 0.00 0.00 0.00 178.15 178.31 1rjf h PHE 290 N 0.00 0.39 0.00 1.37 3.57 -1.32 -2.55 116.94 118.41 1rjf h PHE 290 Ca -0.00 -0.13 -0.08 0.00 3.53 0.00 0.00 57.97 61.28 1rjf h PHE 290 Cb 1.09 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 1rjf h PHE 290 CO 0.00 0.77 -0.86 -0.91 -2.23 0.00 0.00 178.31 175.08 1rjf h ASN 291 N 0.25 0.00 0.00 0.41 2.35 -1.30 -3.36 115.58 113.93 1rjf h ASN 291 Ca 0.01 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.52 1rjf h ASN 291 Cb 1.00 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.33 1rjf h ASN 291 CO 0.08 0.31 -1.83 0.00 -1.65 0.00 0.00 177.43 174.34 1rjf n ALA 292 N -2.25 1.94 -0.01 -0.83 0.00 -0.80 -4.80 120.51 113.76 1rjf n ALA 292 Ca -0.02 -0.60 -0.02 0.00 0.00 0.00 0.00 53.44 52.80 1rjf n ALA 292 Cb 0.68 0.27 -0.12 0.00 0.00 0.00 0.00 19.45 20.29 1rjf n ALA 292 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1rjf n GLN 293 N -3.47 0.64 -2.85 0.00 6.02 -0.97 -4.82 117.38 111.93 1rjf n GLN 293 Ca -0.28 0.15 -0.42 0.00 -0.01 0.00 0.00 57.00 56.43 1rjf n GLN 293 Cb 0.72 -1.72 -0.04 0.00 1.02 0.00 0.00 30.24 30.23 1rjf n GLN 293 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1rjf s ILE 294 N -2.84 4.75 0.96 5.09 -1.09 -1.18 -5.05 121.20 121.85 1rjf s ILE 294 Ca -0.05 1.46 -0.14 0.00 -2.23 0.00 0.00 60.65 59.69 1rjf s ILE 294 Cb 0.09 -4.20 0.17 0.00 -1.58 0.00 0.00 42.46 36.94 1rjf s ILE 294 CO 0.83 -0.23 1.16 -2.16 -1.23 0.00 0.00 174.94 173.31 1rjf s PRO 295 N 3.06 0.71 0.33 2.79 0.04 -1.26 -4.84 135.00 135.83 1rjf s PRO 295 Ca 0.36 0.12 0.11 0.00 0.04 0.00 0.00 61.00 61.63 1rjf s PRO 295 Cb -0.14 -1.80 0.58 0.00 0.04 0.00 0.00 34.50 33.17 1rjf s PRO 295 CO 0.11 -2.46 1.75 1.49 0.04 0.00 0.00 177.00 177.93 1rjf h GLU 296 N -1.68 0.06 -0.41 4.56 4.57 -1.99 -2.87 114.58 116.81 1rjf h GLU 296 Ca -0.49 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 57.57 1rjf h GLU 296 Cb 1.31 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.88 1rjf h GLU 296 CO 0.54 0.48 -0.14 0.66 -1.18 0.00 0.00 179.01 179.37 1rjf h SER 297 N 0.05 0.75 0.49 1.04 4.64 -2.01 -2.98 113.55 115.54 1rjf h SER 297 Ca 0.00 -0.24 -0.13 0.00 -0.47 0.00 0.00 61.79 60.95 1rjf h SER 297 Cb 0.79 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 1rjf h SER 297 CO 0.06 0.91 -0.58 -0.33 -0.87 0.00 0.00 176.83 176.02 1rjf h GLU 298 N 0.68 0.10 -0.33 4.77 4.39 -1.89 -3.05 114.58 119.24 1rjf h GLU 298 Ca 0.11 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 1rjf h GLU 298 Cb 0.63 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1rjf h GLU 298 CO 0.04 0.65 -0.08 0.00 -1.16 0.00 0.00 179.01 178.46 1rjf h ARG 299 N 0.07 0.65 0.00 2.33 3.08 -1.40 -2.89 114.38 116.22 1rjf h ARG 299 Ca -0.00 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.74 1rjf h ARG 299 Cb 1.05 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 1rjf h ARG 299 CO 0.08 0.82 -0.28 -0.22 -1.07 0.00 0.00 179.97 179.30 1rjf h LYS 300 N 0.43 0.00 -0.22 0.04 3.64 -1.54 -2.32 116.57 116.60 1rjf h LYS 300 Ca 0.08 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.28 1rjf h LYS 300 Cb 0.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1rjf h LYS 300 CO 0.03 0.28 -0.60 -0.09 -2.27 0.00 0.00 179.45 176.80 1rjf h ARG 301 N 0.00 0.80 0.00 1.90 2.43 -1.48 -3.01 114.38 115.02 1rjf h ARG 301 Ca -0.00 -0.56 -0.02 0.00 -0.81 0.00 0.00 59.98 58.59 1rjf h ARG 301 Cb 0.71 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1rjf h ARG 301 CO 0.04 1.19 -0.09 -0.07 -1.51 0.00 0.00 179.97 179.52 1rjf h LEU 302 N 0.54 0.00 -0.13 3.80 3.38 -1.30 -3.09 115.31 118.52 1rjf h LEU 302 Ca -0.01 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.72 1rjf h LEU 302 Cb 1.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.98 1rjf h LEU 302 CO 0.13 0.09 -0.98 0.03 0.09 0.00 0.00 178.44 177.80 1rjf h ARG 303 N 0.00 0.43 -0.21 1.13 3.08 -1.39 -2.88 114.38 114.54 1rjf h ARG 303 Ca -0.00 -0.48 -0.15 0.00 0.07 0.00 0.00 59.98 59.41 1rjf h ARG 303 Cb 0.72 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 1rjf h ARG 303 CO 0.01 1.14 -0.51 0.66 -1.07 0.00 0.00 179.97 180.21 1rjf h SER 304 N 0.24 0.63 0.00 7.04 4.64 -1.48 -3.25 113.55 121.37 1rjf h SER 304 Ca -0.09 -0.32 -0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1rjf h SER 304 Cb 1.62 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1rjf h SER 304 CO 0.17 1.03 -0.00 -0.07 -0.87 0.00 0.00 176.83 177.09 1rjf h LEU 305 N 0.45 -0.01 -6.53 5.97 3.38 -1.61 -3.45 115.31 113.52 1rjf h LEU 305 Ca 0.02 -0.66 -0.08 0.00 0.09 0.00 0.00 57.88 57.25 1rjf h LEU 305 Cb 1.04 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.52 1rjf h LEU 305 CO 0.10 0.66 -0.40 -1.58 0.09 0.00 0.00 178.44 177.31 1rjf s GLN 306 N -3.53 0.40 0.19 1.13 0.74 -1.09 -5.05 119.66 112.45 1rjf s GLN 306 Ca -0.17 0.78 -0.30 0.00 0.05 0.00 0.00 55.36 55.72 1rjf s GLN 306 Cb -0.00 -0.04 -0.08 0.00 1.10 0.00 0.00 33.01 33.99 1rjf s GLN 306 CO 0.67 -0.54 1.19 0.12 -0.55 0.00 0.00 175.29 176.19 1rjf s PHE 307 N 2.64 3.43 -0.58 1.67 5.36 -1.23 -4.47 117.98 124.80 1rjf s PHE 307 Ca 0.11 1.45 -0.20 0.00 -0.96 0.00 0.00 56.93 57.32 1rjf s PHE 307 Cb -0.14 -3.42 0.08 0.00 -0.34 0.00 0.00 43.02 39.20 1rjf s PHE 307 CO -0.16 -1.15 0.75 -1.17 -1.46 0.00 0.00 175.22 172.02 1rjf s LEU 308 N -0.35 5.04 0.03 6.12 2.96 -1.26 -4.92 118.68 126.31 1rjf s LEU 308 Ca 0.52 -1.18 -0.20 0.00 -0.22 0.00 0.00 54.13 53.05 1rjf s LEU 308 Cb -0.33 -2.38 -0.17 0.00 0.50 0.00 0.00 46.19 43.82 1rjf s LEU 308 CO 0.37 -1.13 1.26 0.44 -1.32 0.00 0.00 176.35 175.97 1rjf h ASP 309 N 9.22 0.44 -3.82 3.68 3.32 -1.99 -3.39 116.42 123.89 1rjf h ASP 309 Ca -0.29 -0.57 -0.77 0.00 0.02 0.00 0.00 57.03 55.42 1rjf h ASP 309 Cb 1.08 -0.13 -0.28 0.00 0.22 0.00 0.00 39.33 40.22 1rjf h ASP 309 CO 1.09 0.94 0.06 -1.61 -1.72 0.00 0.00 179.24 178.00 1rjf s GLU 310 N -3.93 3.51 0.24 3.56 0.41 -1.26 -4.87 118.70 116.36 1rjf s GLU 310 Ca -0.14 -2.65 0.12 0.00 -0.41 0.00 0.00 54.97 51.89 1rjf s GLU 310 Cb 0.05 -4.30 0.16 0.00 -1.78 0.00 0.00 34.13 28.25 1rjf s GLU 310 CO 0.78 -1.26 1.48 1.25 -0.49 0.00 0.00 175.26 177.02 1rjf h LEU 311 N 7.36 0.00 -0.53 1.80 5.85 -2.01 -3.05 115.31 124.74 1rjf h LEU 311 Ca 0.10 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.66 1rjf h LEU 311 Cb 0.99 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1rjf h LEU 311 CO 0.79 0.68 -0.71 -0.08 -0.34 0.00 0.00 178.44 178.78 1rjf h GLU 312 N 0.00 0.16 0.00 1.25 4.57 -1.97 -2.44 114.58 116.15 1rjf h GLU 312 Ca -0.01 -0.14 -0.08 0.00 -1.18 0.00 0.00 59.36 57.96 1rjf h GLU 312 Cb 1.35 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.96 1rjf h GLU 312 CO 0.09 0.81 -0.37 0.93 -1.18 0.00 0.00 179.01 179.28 1rjf h GLU 313 N 0.11 0.00 -0.05 1.92 5.08 -1.96 -2.14 114.58 117.54 1rjf h GLU 313 Ca -0.02 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 1rjf h GLU 313 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1rjf h GLU 313 CO 0.11 0.37 -0.67 1.25 -1.00 0.00 0.00 179.01 179.07 1rjf h LEU 314 N 0.00 0.26 -0.34 1.33 5.85 -1.40 -2.94 115.31 118.07 1rjf h LEU 314 Ca -0.00 -0.16 -0.19 0.00 0.84 0.00 0.00 57.88 58.37 1rjf h LEU 314 Cb 0.70 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1rjf h LEU 314 CO 0.05 0.85 -0.63 0.50 -0.34 0.00 0.00 178.44 178.86 1rjf h LYS 315 N 0.15 0.71 -0.23 1.25 3.64 -1.10 -1.87 116.57 119.12 1rjf h LYS 315 Ca -0.01 -0.50 -0.14 0.00 -1.27 0.00 0.00 60.65 58.73 1rjf h LYS 315 Cb 1.20 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 1rjf h LYS 315 CO 0.10 1.12 -0.44 0.28 -2.27 0.00 0.00 179.45 178.24 1rjf h VAL 316 N 0.52 1.30 -0.05 2.00 2.07 -1.45 -2.34 116.25 118.31 1rjf h VAL 316 Ca -0.01 -1.63 -0.09 0.00 0.82 0.00 0.00 66.70 65.79 1rjf h VAL 316 Cb 1.22 1.60 0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1rjf h VAL 316 CO 0.13 0.51 -0.34 -0.03 0.02 0.00 0.00 177.57 177.87 1rjf h MET 317 N 0.47 0.31 0.00 1.57 1.85 -1.54 -3.34 114.93 114.25 1rjf h MET 317 Ca 0.03 -0.27 0.00 0.00 -0.61 0.00 0.00 59.70 58.85 1rjf h MET 317 Cb 0.96 0.06 0.00 0.00 0.43 0.00 0.00 31.60 33.05 1rjf h MET 317 CO 0.09 0.93 0.00 1.96 -0.40 0.00 0.00 176.91 179.49 1rjf h GLN 318 N -0.22 0.00 0.00 0.39 1.08 -1.35 -2.63 115.11 112.37 1rjf h GLN 318 Ca -0.03 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1rjf h GLN 318 Cb 1.01 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.44 1rjf h GLN 318 CO 0.07 0.00 -0.11 1.79 -0.95 0.00 0.00 178.83 179.62 1rjf h THR 319 N 0.00 0.23 -0.72 -0.54 1.35 -1.55 -2.34 112.91 109.34 1rjf h THR 319 Ca 0.00 -1.03 -0.37 0.00 -0.55 0.00 0.00 66.41 64.46 1rjf h THR 319 Cb 0.84 1.85 -0.22 0.00 -1.73 0.00 0.00 68.15 68.89 1rjf h THR 319 CO 0.00 0.11 0.47 1.41 -0.25 0.00 0.00 175.52 177.26 1rjf n HIS 320 N -3.18 2.23 -3.99 4.73 8.25 -0.99 -4.84 115.22 117.43 1rjf n HIS 320 Ca 0.02 -1.46 -0.09 0.00 -0.26 0.00 0.00 57.72 55.93 1rjf n HIS 320 Cb 0.46 -0.75 -0.11 0.00 1.12 0.00 0.00 29.99 30.72 1rjf n HIS 320 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1rjf s TYR 321 N -2.41 0.29 0.24 4.41 1.51 -1.09 -2.42 117.35 117.88 1rjf s TYR 321 Ca 0.42 -0.62 0.02 0.00 -1.01 0.00 0.00 57.07 55.88 1rjf s TYR 321 Cb 0.35 -0.22 -0.04 0.00 -0.11 0.00 0.00 41.96 41.95 1rjf s TYR 321 CO 0.08 -0.26 0.18 0.96 -1.11 0.00 0.00 175.55 175.41 1rjf s ILE 322 N -2.12 0.00 -0.23 2.71 -5.25 -0.78 -2.19 121.20 113.34 1rjf s ILE 322 Ca -0.10 -2.00 -0.03 0.00 -0.99 0.00 0.00 60.65 57.54 1rjf s ILE 322 Cb -0.05 -2.50 0.11 0.00 2.95 0.00 0.00 42.46 42.98 1rjf s ILE 322 CO -0.03 0.00 0.28 -0.22 -1.79 0.00 0.00 174.94 173.18 1rjf s LEU 323 N -3.23 -0.29 -0.11 0.37 2.96 -0.91 -3.61 118.68 113.85 1rjf s LEU 323 Ca 0.40 -0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 54.06 1rjf s LEU 323 Cb 0.05 0.62 -0.03 0.00 0.50 0.00 0.00 46.19 47.33 1rjf s LEU 323 CO 0.17 -0.33 0.03 -0.32 -1.32 0.00 0.00 176.35 174.58 1rjf s MET 324 N 2.40 3.26 -0.38 1.98 -2.45 -0.95 -3.13 119.30 120.03 1rjf s MET 324 Ca 0.09 -0.37 0.01 0.00 -1.25 0.00 0.00 55.69 54.17 1rjf s MET 324 Cb -0.15 -2.92 0.12 0.00 1.25 0.00 0.00 34.83 33.12 1rjf s MET 324 CO -0.18 0.61 0.17 0.15 1.05 0.00 0.00 175.02 176.83 1rjf s LYS 325 N -0.61 1.03 -0.27 4.11 1.02 -0.92 -2.06 119.74 122.04 1rjf s LYS 325 Ca 0.10 -1.60 -0.14 0.00 0.02 0.00 0.00 55.97 54.35 1rjf s LYS 325 Cb -0.12 -2.18 -0.04 0.00 -0.52 0.00 0.00 37.83 34.97 1rjf s LYS 325 CO 0.02 -1.09 0.31 0.00 -0.92 0.00 0.00 175.35 173.68 1rjf s ALA 326 N 0.90 3.56 -0.08 5.17 0.00 -1.09 -2.88 121.76 127.33 1rjf s ALA 326 Ca 0.14 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1rjf s ALA 326 Cb -0.21 -2.62 -0.02 0.00 0.00 0.00 0.00 23.12 20.27 1rjf s ALA 326 CO -0.09 -0.58 -0.17 -0.65 0.00 0.00 0.00 175.76 174.27 1rjf s GLN 327 N 1.88 2.79 0.06 0.00 -0.21 -0.70 -1.43 119.66 122.05 1rjf s GLN 327 Ca 0.13 -0.75 0.02 0.00 0.02 0.00 0.00 55.36 54.77 1rjf s GLN 327 Cb -0.16 -2.39 -0.03 0.00 1.00 0.00 0.00 33.01 31.43 1rjf s GLN 327 CO 0.10 0.43 -0.08 1.67 -2.12 0.00 0.00 175.29 175.29 1rjf s TRP 328 N -0.24 0.76 -0.39 0.91 -2.14 -1.22 -3.16 118.94 113.46 1rjf s TRP 328 Ca 0.00 -0.64 0.04 0.00 2.66 0.00 0.00 56.10 58.16 1rjf s TRP 328 Cb -0.13 -0.45 0.16 0.00 -3.10 0.00 0.00 33.47 29.95 1rjf s TRP 328 CO 0.03 -0.10 0.43 -1.58 -2.66 0.00 0.00 176.95 173.07 1rjf s HIS 329 N -2.16 -0.39 -2.00 1.66 2.46 -1.26 -3.05 115.29 110.54 1rjf s HIS 329 Ca -0.02 -0.89 0.05 0.00 0.47 0.00 0.00 55.06 54.67 1rjf s HIS 329 Cb -0.05 -0.33 0.27 0.00 -0.13 0.00 0.00 32.58 32.35 1rjf s HIS 329 CO -0.01 -1.00 0.75 0.72 -2.47 0.00 0.00 174.74 172.72