#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjf h THR 8 N 0.00 0.02 0.00 1.69 1.35 -2.02 -2.84 112.91 111.11 1rjf h THR 8 Ca 0.00 -0.52 -0.09 0.00 -0.55 0.00 0.00 66.41 65.25 1rjf h THR 8 Cb 0.00 1.51 -0.01 0.00 -1.73 0.00 0.00 68.15 67.92 1rjf h THR 8 CO 0.00 0.01 -0.44 -0.78 -0.25 0.00 0.00 175.52 174.06 1rjf h ASP 9 N 0.00 0.00 0.35 5.36 3.58 -2.00 -2.83 116.42 120.89 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 41.56 1rjf h ASP 9 CO 0.00 0.44 -0.19 1.88 -2.88 0.00 0.00 179.24 178.49 1rjf h TYR 10 N 0.00 0.00 -0.23 0.28 0.99 -1.93 -1.66 116.97 114.42 1rjf h TYR 10 Ca -0.00 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.60 1rjf h TYR 10 Cb 0.87 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.59 1rjf h TYR 10 CO 0.00 0.19 -0.36 0.22 -0.00 0.00 0.00 178.16 178.21 1rjf h ASP 11 N 0.00 0.73 0.47 3.88 3.58 -1.63 -2.72 116.42 120.73 1rjf h ASP 11 Ca -0.00 -0.52 -0.08 0.00 0.42 0.00 0.00 57.03 56.85 1rjf h ASP 11 Cb 0.42 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1rjf h ASP 11 CO 0.02 1.10 -0.38 0.00 -2.88 0.00 0.00 179.24 177.11 1rjf h ALA 12 N 0.64 1.27 0.01 -0.78 0.00 -1.39 -2.62 119.26 116.39 1rjf h ALA 12 Ca 0.02 -0.34 -0.22 0.00 0.00 0.00 0.00 54.91 54.37 1rjf h ALA 12 Cb 0.95 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1rjf h ALA 12 CO 0.08 0.47 -1.02 1.25 0.00 0.00 0.00 179.25 180.04 1rjf h LEU 13 N 0.00 0.05 -1.31 0.00 5.85 -1.37 -2.90 115.31 115.62 1rjf h LEU 13 Ca -0.00 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 1rjf h LEU 13 Cb 0.72 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1rjf h LEU 13 CO 0.05 1.03 -0.34 0.28 -0.34 0.00 0.00 178.44 179.12 1rjf h SER 14 N 0.01 0.00 -0.03 1.25 0.02 -1.24 -2.38 113.55 111.19 1rjf h SER 14 Ca -0.02 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1rjf h SER 14 Cb 1.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.32 1rjf h SER 14 CO 0.14 0.34 -0.11 0.00 -1.14 0.00 0.00 176.83 176.05 1rjf h LYS 16 N -0.48 0.96 0.00 0.00 1.63 -1.45 -2.21 116.57 115.03 1rjf h LYS 16 Ca -0.01 -0.32 -0.17 0.00 -0.85 0.00 0.00 60.65 59.30 1rjf h LYS 16 Cb 0.77 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.30 1rjf h LYS 16 CO 0.02 0.99 -0.81 -0.07 -3.45 0.00 0.00 179.45 176.13 1rjf h LEU 17 N 0.87 0.00 -0.49 5.20 3.38 -1.57 -2.60 115.31 120.11 1rjf h LEU 17 Ca 0.15 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 1rjf h LEU 17 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1rjf h LEU 17 CO 0.04 0.81 -0.61 0.00 0.09 0.00 0.00 178.44 178.77 1rjf h ALA 18 N 1.19 0.78 0.10 1.53 0.00 -1.40 -2.13 119.26 119.32 1rjf h ALA 18 Ca -0.01 -0.55 -0.28 0.00 0.00 0.00 0.00 54.91 54.07 1rjf h ALA 18 Cb 1.52 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 19.23 1rjf h ALA 18 CO 0.11 0.76 -1.18 0.00 0.00 0.00 0.00 179.25 178.93 1rjf h ALA 19 N 1.39 0.10 0.00 0.00 0.00 -1.39 -3.02 119.26 116.35 1rjf h ALA 19 Ca -0.01 -0.79 -0.12 0.00 0.00 0.00 0.00 54.91 54.00 1rjf h ALA 19 Cb 1.25 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1rjf h ALA 19 CO 0.08 0.79 -0.57 0.82 0.00 0.00 0.00 179.25 180.36 1rjf h ILE 20 N 0.21 1.41 -0.00 0.00 2.04 -1.47 -0.99 117.51 118.70 1rjf h ILE 20 Ca -0.15 -1.97 -0.22 0.00 1.00 0.00 0.00 64.86 63.52 1rjf h ILE 20 Cb 1.86 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 40.00 1rjf h ILE 20 CO 0.21 0.56 -0.92 -1.28 0.00 0.00 0.00 178.15 176.73 1rjf h SER 21 N 0.00 0.49 0.63 1.72 0.87 -1.43 -3.27 113.55 112.56 1rjf h SER 21 Ca -0.01 -0.39 -0.28 0.00 -1.23 0.00 0.00 61.79 59.89 1rjf h SER 21 Cb 1.02 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1rjf h SER 21 CO 0.07 1.19 -1.25 0.58 -0.53 0.00 0.00 176.83 176.89 1rjf h VAL 22 N 0.22 1.50 0.00 2.23 2.07 -1.55 -3.48 116.25 117.23 1rjf h VAL 22 Ca -0.07 -3.06 0.00 0.00 0.82 0.00 0.00 66.70 64.39 1rjf h VAL 22 Cb 1.55 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 34.27 1rjf h VAL 22 CO 0.16 0.89 0.00 0.61 0.02 0.00 0.00 177.57 179.25 1rjf n GLY 23 N 1.54 1.19 0.23 2.17 0.00 -0.95 -4.98 105.19 104.39 1rjf n GLY 23 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.32 -2.85 1.61 0.05 -1.49 -3.41 116.97 110.57 1rjf h TYR 24 Ca 0.00 0.05 -0.61 0.00 0.05 0.00 0.00 58.73 58.22 1rjf h TYR 24 Cb 0.00 0.23 -0.13 0.00 1.01 0.00 0.00 36.73 37.84 1rjf h TYR 24 CO 0.00 -0.25 -0.71 -0.51 -1.05 0.00 0.00 178.16 175.64 1rjf s LEU 25 N -10.80 3.03 0.08 3.88 1.43 -1.10 -4.01 118.68 111.19 1rjf s LEU 25 Ca -0.14 -0.58 -0.28 0.00 -1.03 0.00 0.00 54.13 52.10 1rjf s LEU 25 Cb 0.18 -1.68 -0.06 0.00 0.03 0.00 0.00 46.19 44.66 1rjf s LEU 25 CO 0.73 0.08 0.87 -2.16 0.23 0.00 0.00 176.35 176.10 1rjf s PRO 26 N -2.99 4.60 -0.58 1.29 0.04 -1.26 -4.25 135.00 131.85 1rjf s PRO 26 Ca 0.26 1.27 -0.28 0.00 0.04 0.00 0.00 61.00 62.29 1rjf s PRO 26 Cb -0.08 -3.37 0.01 0.00 0.04 0.00 0.00 34.50 31.09 1rjf s PRO 26 CO 0.16 0.24 1.46 0.45 0.04 0.00 0.00 177.00 179.35 1rjf s SER 27 N -0.00 6.02 0.40 6.66 0.15 -1.26 -4.89 113.70 120.79 1rjf s SER 27 Ca 0.43 0.23 0.20 0.00 0.70 0.00 0.00 55.95 57.50 1rjf s SER 27 Cb -0.22 -2.54 0.83 0.00 -1.71 0.00 0.00 66.02 62.38 1rjf s SER 27 CO 0.26 -1.81 1.81 0.77 1.20 0.00 0.00 173.24 175.48 1rjf h SER 28 N 11.46 0.00 0.06 5.45 4.64 -1.94 -2.63 113.55 130.58 1rjf h SER 28 Ca -0.27 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1rjf h SER 28 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1rjf h SER 28 CO 1.19 0.32 -0.03 1.23 -0.87 0.00 0.00 176.83 178.68 1rjf h GLY 29 N 1.70 -0.08 1.48 -0.77 0.00 -1.90 -2.78 103.07 100.73 1rjf h GLY 29 Ca -0.00 0.03 -0.21 0.00 0.00 0.00 0.00 47.33 47.15 1rjf h GLY 29 CO 0.04 -0.03 -0.83 1.41 0.00 0.00 0.00 176.54 177.13 1rjf h LEU 30 N -0.86 0.60 -0.19 3.11 3.38 -1.98 -3.21 115.31 116.15 1rjf h LEU 30 Ca -0.01 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1rjf h LEU 30 Cb 0.64 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1rjf h LEU 30 CO 0.01 1.20 -0.14 0.00 0.09 0.00 0.00 178.44 179.61 1rjf n GLN 31 N -3.82 0.55 -2.65 1.13 6.02 -0.99 -4.64 117.38 112.98 1rjf n GLN 31 Ca -0.06 -0.19 -0.18 0.00 -0.01 0.00 0.00 57.00 56.56 1rjf n GLN 31 Cb 0.77 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.55 1rjf n GLN 31 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1rjf n ARG 32 N -1.05 -2.93 -3.39 -1.09 0.63 -1.15 -4.99 116.66 102.67 1rjf n ARG 32 Ca 0.13 0.77 -0.38 0.00 -0.92 0.00 0.00 57.85 57.45 1rjf n ARG 32 Cb 0.29 -5.26 -0.06 0.00 0.45 0.00 0.00 32.46 27.89 1rjf n ARG 32 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1rjf s LEU 33 N -5.25 4.44 0.00 6.15 1.43 -1.06 -5.06 118.68 119.32 1rjf s LEU 33 Ca 0.15 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.25 1rjf s LEU 33 Cb -0.06 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.46 1rjf s LEU 33 CO 0.18 0.23 0.00 -1.54 0.23 0.00 0.00 176.35 175.45 1rjf n SER 34 N 2.29 -0.17 -0.03 2.29 3.41 -1.26 -4.74 113.62 115.41 1rjf n SER 34 Ca -0.11 -0.49 -0.13 0.00 -0.26 0.00 0.00 58.87 57.87 1rjf n SER 34 Cb 0.52 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.73 1.43 0.00 -3.33 2.07 -1.99 -2.50 116.25 111.21 1rjf h VAL 35 Ca 0.00 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.10 1rjf h VAL 35 Cb 0.00 2.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1rjf h VAL 35 CO 0.00 0.37 -0.14 0.44 0.02 0.00 0.00 177.57 178.26 1rjf h ASP 36 N -0.40 0.00 1.34 0.57 3.32 -2.00 -3.00 116.42 116.25 1rjf h ASP 36 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1rjf h ASP 36 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1rjf h ASP 36 CO 0.02 0.14 -0.51 0.25 -1.72 0.00 0.00 179.24 177.42 1rjf h LEU 37 N 0.00 0.00 0.06 1.55 5.85 -1.93 -2.42 115.31 118.43 1rjf h LEU 37 Ca -0.00 -0.04 -0.27 0.00 0.84 0.00 0.00 57.88 58.41 1rjf h LEU 37 Cb 1.11 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.15 1rjf h LEU 37 CO 0.02 0.02 -1.19 0.28 -0.34 0.00 0.00 178.44 177.23 1rjf h SER 38 N 0.00 0.49 -0.38 1.25 0.02 -1.43 -2.45 113.55 111.05 1rjf h SER 38 Ca 0.00 -0.49 -0.12 0.00 -0.84 0.00 0.00 61.79 60.34 1rjf h SER 38 Cb 0.92 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 1rjf h SER 38 CO 0.00 1.36 -0.18 0.50 -1.14 0.00 0.00 176.83 177.36 1rjf h LYS 39 N 0.12 0.87 0.00 3.45 3.64 -1.57 -3.06 116.57 120.02 1rjf h LYS 39 Ca -0.13 -0.34 -0.08 0.00 -1.27 0.00 0.00 60.65 58.83 1rjf h LYS 39 Cb 1.89 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.66 1rjf h LYS 39 CO 0.20 0.98 -0.37 0.87 -2.27 0.00 0.00 179.45 178.86 1rjf h LYS 40 N 0.76 0.00 -0.44 1.90 1.79 -1.47 -2.12 116.57 116.99 1rjf h LYS 40 Ca 0.11 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.52 1rjf h LYS 40 Cb 0.71 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.35 1rjf h LYS 40 CO 0.05 0.37 0.06 -0.92 -1.08 0.00 0.00 179.45 177.93 1rjf h TYR 41 N 0.00 0.79 -0.07 -1.35 3.20 -1.36 -2.06 116.97 116.12 1rjf h TYR 41 Ca -0.00 -0.12 -0.11 0.00 3.14 0.00 0.00 58.73 61.64 1rjf h TYR 41 Cb 0.91 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 1rjf h TYR 41 CO 0.00 0.76 -0.46 1.15 -1.64 0.00 0.00 178.16 177.96 1rjf h THR 42 N 0.59 1.33 0.00 1.81 2.02 -1.42 -3.08 112.91 114.16 1rjf h THR 42 Ca 0.13 -1.64 -0.12 0.00 0.77 0.00 0.00 66.41 65.55 1rjf h THR 42 Cb 0.40 1.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 1rjf h THR 42 CO 0.01 0.48 -0.58 -0.33 0.37 0.00 0.00 175.52 175.47 1rjf h GLU 43 N 0.13 0.00 0.15 6.66 5.08 -1.25 -2.59 114.58 122.76 1rjf h GLU 43 Ca 0.01 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.07 1rjf h GLU 43 Cb 0.87 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.15 1rjf h GLU 43 CO 0.07 0.58 -1.28 -1.49 -1.00 0.00 0.00 179.01 175.89 1rjf h TRP 44 N 0.00 0.88 0.03 4.33 6.55 -1.37 -2.85 115.95 123.52 1rjf h TRP 44 Ca -0.01 -0.58 -0.23 0.00 0.95 0.00 0.00 58.89 59.03 1rjf h TRP 44 Cb 1.38 -0.06 -0.00 0.00 -0.86 0.00 0.00 29.16 29.62 1rjf h TRP 44 CO 0.00 1.43 -0.98 0.45 -1.05 0.00 0.00 178.44 178.29 1rjf h HIS 45 N 0.20 0.49 -0.50 0.49 3.86 -1.61 -2.51 115.15 115.58 1rjf h HIS 45 Ca -0.19 -0.29 -0.11 0.00 -1.16 0.00 0.00 60.37 58.63 1rjf h HIS 45 Cb 1.96 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 30.37 1rjf h HIS 45 CO 0.10 1.12 -0.11 0.00 0.86 0.00 0.00 177.93 179.91 1rjf h ARG 46 N 0.16 0.96 0.00 2.45 3.08 -1.57 -2.92 114.38 116.54 1rjf h ARG 46 Ca -0.08 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1rjf h ARG 46 Cb 1.63 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.62 1rjf h ARG 46 CO 0.16 1.03 0.00 1.03 -1.07 0.00 0.00 179.97 181.12 1rjf h SER 47 N 0.82 0.00 0.68 7.04 0.87 -1.53 -2.87 113.55 118.56 1rjf h SER 47 Ca 0.13 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.49 1rjf h SER 47 Cb 0.67 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 1rjf h SER 47 CO 0.05 0.00 -0.90 0.22 -0.53 0.00 0.00 176.83 175.67 1rjf h TYR 48 N 0.00 0.21 -0.07 2.24 3.20 -1.26 -2.74 116.97 118.55 1rjf h TYR 48 Ca 0.00 -0.12 -0.24 0.00 3.14 0.00 0.00 58.73 61.51 1rjf h TYR 48 Cb 0.62 -0.02 0.01 0.00 1.54 0.00 0.00 36.73 38.88 1rjf h TYR 48 CO 0.00 0.96 -0.90 1.25 -1.64 0.00 0.00 178.16 177.83 1rjf h LEU 49 N 0.07 0.84 -0.49 2.82 5.85 -1.37 -2.41 115.31 120.62 1rjf h LEU 49 Ca -0.04 -0.61 -0.16 0.00 0.84 0.00 0.00 57.88 57.91 1rjf h LEU 49 Cb 1.55 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1rjf h LEU 49 CO 0.13 1.41 -0.49 0.40 -0.34 0.00 0.00 178.44 179.55 1rjf h ILE 50 N 0.43 1.30 0.00 4.05 2.04 -1.59 -2.80 117.51 120.93 1rjf h ILE 50 Ca -0.08 -1.70 -0.12 0.00 1.00 0.00 0.00 64.86 63.96 1rjf h ILE 50 Cb 1.53 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 39.24 1rjf h ILE 50 CO 0.18 0.54 -0.56 0.74 0.00 0.00 0.00 178.15 179.05 1rjf h THR 51 N 0.53 1.14 0.00 -0.27 2.02 -1.57 -2.95 112.91 111.82 1rjf h THR 51 Ca 0.02 -2.11 -0.08 0.00 0.77 0.00 0.00 66.41 65.02 1rjf h THR 51 Cb 1.05 2.22 -0.01 0.00 -1.74 0.00 0.00 68.15 69.67 1rjf h THR 51 CO 0.10 0.55 -0.36 0.25 0.37 0.00 0.00 175.52 176.43 1rjf h LEU 52 N 0.00 0.00 -0.32 2.58 5.85 -1.30 -2.91 115.31 119.21 1rjf h LEU 52 Ca -0.01 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.54 1rjf h LEU 52 Cb 1.18 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 1rjf h LEU 52 CO 0.07 0.36 -0.47 0.50 -0.34 0.00 0.00 178.44 178.56 1rjf h LYS 53 N 0.00 0.88 -0.49 1.25 3.64 -1.33 -1.68 116.57 118.85 1rjf h LYS 53 Ca -0.00 -0.52 -0.02 0.00 -1.27 0.00 0.00 60.65 58.83 1rjf h LYS 53 Cb 0.73 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 1rjf h LYS 53 CO 0.05 1.16 0.21 -0.22 -2.27 0.00 0.00 179.45 178.38 1rjf h LYS 54 N 0.67 0.69 0.00 1.90 3.64 -1.44 -3.07 116.57 118.96 1rjf h LYS 54 Ca 0.03 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1rjf h LYS 54 Cb 1.07 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1rjf h LYS 54 CO 0.11 0.56 -0.97 1.19 -2.27 0.00 0.00 179.45 178.07 1rjf n PHE 55 N -4.37 0.14 -3.61 1.91 3.72 -1.12 -4.94 117.46 109.20 1rjf n PHE 55 Ca 0.04 0.04 -0.03 0.00 -0.05 0.00 0.00 57.45 57.45 1rjf n PHE 55 Cb 0.14 -0.30 -0.06 0.00 -0.94 0.00 0.00 39.48 38.32 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 -3.56 -0.77 -0.02 4.37 0.15 -0.63 -5.03 113.70 108.21 1rjf s SER 56 Ca 0.06 1.17 -0.03 0.00 0.70 0.00 0.00 55.95 57.84 1rjf s SER 56 Cb 0.15 1.49 -0.28 0.00 -1.71 0.00 0.00 66.02 65.68 1rjf s SER 56 CO 0.80 -0.18 0.78 -0.09 1.20 0.00 0.00 173.24 175.75 1rjf h ARG 57 N 6.87 0.25 -0.27 5.44 2.43 -1.82 -3.16 114.38 124.12 1rjf h ARG 57 Ca -0.26 -0.43 -0.17 0.00 -0.81 0.00 0.00 59.98 58.32 1rjf h ARG 57 Cb 1.18 0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.89 1rjf h ARG 57 CO 0.15 1.10 -0.51 -0.09 -1.51 0.00 0.00 179.97 179.12 1rjf h ARG 58 N 0.07 0.76 -0.29 0.20 2.43 -1.95 -2.05 114.38 113.55 1rjf h ARG 58 Ca -0.27 -0.46 -0.18 0.00 -0.81 0.00 0.00 59.98 58.26 1rjf h ARG 58 Cb 2.03 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 31.62 1rjf h ARG 58 CO 0.15 1.08 -0.53 0.00 -1.51 0.00 0.00 179.97 179.17 1rjf h ALA 59 N 0.83 0.52 0.00 2.80 0.00 -1.90 -2.89 119.26 118.61 1rjf h ALA 59 Ca 0.02 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 1rjf h ALA 59 Cb 1.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1rjf h ALA 59 CO 0.11 0.68 -0.27 0.35 0.00 0.00 0.00 179.25 180.12 1rjf h PHE 60 N 0.65 0.00 -0.04 0.00 3.57 -1.56 -2.86 116.94 116.70 1rjf h PHE 60 Ca 0.02 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.32 1rjf h PHE 60 Cb 1.12 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 1rjf h PHE 60 CO 0.07 0.27 -0.83 0.78 -2.23 0.00 0.00 178.31 176.37 1rjf h GLY 61 N 1.79 0.42 1.57 2.40 0.00 -1.22 -2.21 103.07 105.82 1rjf h GLY 61 Ca -0.00 -0.66 -0.26 0.00 0.00 0.00 0.00 47.33 46.41 1rjf h GLY 61 CO 0.04 0.59 -1.14 0.50 0.00 0.00 0.00 176.54 176.52 1rjf h LYS 62 N 0.24 0.34 -0.01 4.80 1.79 -1.50 -3.08 116.57 119.16 1rjf h LYS 62 Ca -0.05 -0.49 -0.20 0.00 -2.18 0.00 0.00 60.65 57.73 1rjf h LYS 62 Cb 1.43 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 32.24 1rjf h LYS 62 CO 0.14 1.19 -0.86 0.28 -1.08 0.00 0.00 179.45 179.12 1rjf h VAL 63 N 0.14 1.47 -0.01 0.50 2.07 -1.57 -3.00 116.25 115.85 1rjf h VAL 63 Ca -0.12 -2.52 -0.02 0.00 0.82 0.00 0.00 66.70 64.85 1rjf h VAL 63 Cb 1.83 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 34.01 1rjf h VAL 63 CO 0.19 0.74 -0.07 -0.78 0.02 0.00 0.00 177.57 177.68 1rjf h ASP 64 N 0.14 0.08 0.28 0.57 3.58 -1.50 -2.63 116.42 116.93 1rjf h ASP 64 Ca -0.05 -0.70 -0.08 0.00 0.42 0.00 0.00 57.03 56.63 1rjf h ASP 64 Cb 1.48 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.49 1rjf h ASP 64 CO 0.13 0.77 -0.33 0.11 -2.88 0.00 0.00 179.24 177.04 1rjf h LYS 65 N -0.61 0.08 0.00 0.28 1.57 -1.66 -2.52 116.57 113.72 1rjf h LYS 65 Ca -0.01 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.59 1rjf h LYS 65 Cb 0.77 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 1rjf h LYS 65 CO 0.01 0.41 -0.72 0.00 -0.57 0.00 0.00 179.45 178.58 1rjf h ALA 66 N 1.60 0.77 -0.32 3.86 0.00 -1.60 -2.86 119.26 120.71 1rjf h ALA 66 Ca 0.01 -0.66 -0.08 0.00 0.00 0.00 0.00 54.91 54.18 1rjf h ALA 66 Cb 0.62 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1rjf h ALA 66 CO 0.05 0.90 -0.13 0.52 0.00 0.00 0.00 179.25 180.59 1rjf h MET 67 N 0.00 0.65 0.00 0.00 2.86 -1.07 -3.00 114.93 114.38 1rjf h MET 67 Ca -0.01 -0.28 -0.06 0.00 -2.06 0.00 0.00 59.70 57.30 1rjf h MET 67 Cb 1.31 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.94 1rjf h MET 67 CO 0.09 0.86 -0.30 0.00 1.06 0.00 0.00 176.91 178.63 1rjf h ARG 68 N 0.42 0.00 -0.51 1.72 -0.00 -1.48 -3.11 114.38 111.42 1rjf h ARG 68 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.55 1rjf h ARG 68 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.62 1rjf h ARG 68 CO 0.04 0.30 0.00 -1.13 0.00 0.00 0.00 179.97 179.18 1rjf n SER 69 N -3.42 5.05 -4.73 7.04 3.41 -1.08 -4.99 113.62 114.91 1rjf n SER 69 Ca 0.00 -2.84 -0.41 0.00 -0.26 0.00 0.00 58.87 55.36 1rjf n SER 69 Cb 0.49 -0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 63.78 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 -1.09 7.20 0.42 4.04 0.15 -1.14 -5.03 113.70 118.25 1rjf s SER 70 Ca 0.50 2.03 -0.05 0.00 0.70 0.00 0.00 55.95 59.13 1rjf s SER 70 Cb 0.37 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 62.05 1rjf s SER 70 CO 0.16 -0.32 0.71 -0.36 1.20 0.00 0.00 173.24 174.62 1rjf s PHE 71 N 0.37 3.53 0.35 3.44 0.08 -1.26 -5.00 117.98 119.49 1rjf s PHE 71 Ca 0.53 0.73 0.10 0.00 0.12 0.00 0.00 56.93 58.41 1rjf s PHE 71 Cb -0.29 -2.21 0.86 0.00 -0.57 0.00 0.00 43.02 40.81 1rjf s PHE 71 CO 0.32 -0.12 1.83 -1.35 -0.10 0.00 0.00 175.22 175.80 1rjf h PRO 72 N 0.65 0.63 -0.49 0.24 0.11 -1.96 -2.66 132.00 128.51 1rjf h PRO 72 Ca -0.48 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 1rjf h PRO 72 Cb 1.20 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1rjf h PRO 72 CO 0.62 0.42 -0.16 0.28 -0.21 0.00 0.00 178.00 178.95 1rjf h VAL 73 N 0.65 1.27 0.00 3.15 2.07 -1.94 -2.66 116.25 118.78 1rjf h VAL 73 Ca 0.51 -1.31 -0.06 0.00 0.82 0.00 0.00 66.70 66.65 1rjf h VAL 73 Cb 0.92 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1rjf h VAL 73 CO -0.26 0.46 -0.30 0.24 0.02 0.00 0.00 177.57 177.72 1rjf h MET 74 N 0.84 0.00 0.00 1.57 2.86 -1.88 -2.55 114.93 115.77 1rjf h MET 74 Ca 0.12 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.61 1rjf h MET 74 Cb 0.73 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 1rjf h MET 74 CO 0.06 0.30 -0.70 -0.91 1.06 0.00 0.00 176.91 176.72 1rjf h ASN 75 N 0.00 0.00 0.53 1.22 2.35 -1.30 -2.64 115.58 115.73 1rjf h ASN 75 Ca -0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.59 1rjf h ASN 75 Cb 0.68 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 1rjf h ASN 75 CO 0.04 0.70 -0.70 1.88 -1.65 0.00 0.00 177.43 177.70 1rjf h TYR 76 N 0.00 0.20 0.00 1.19 -1.99 -1.23 -2.53 116.97 112.61 1rjf h TYR 76 Ca -0.01 -0.09 -0.11 0.00 2.00 0.00 0.00 58.73 60.52 1rjf h TYR 76 Cb 1.48 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 40.17 1rjf h TYR 76 CO 0.00 0.80 -0.52 0.78 -0.00 0.00 0.00 178.16 179.22 1rjf h GLY 77 N 1.76 0.00 1.95 3.88 0.00 -1.42 -2.83 103.07 106.41 1rjf h GLY 77 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.14 1rjf h GLY 77 CO 0.10 0.00 -0.87 -0.84 0.00 0.00 0.00 176.54 174.93 1rjf h THR 78 N 0.00 1.40 -0.13 4.70 2.02 -1.44 -2.89 112.91 116.57 1rjf h THR 78 Ca -0.01 -2.99 -0.09 0.00 0.77 0.00 0.00 66.41 64.09 1rjf h THR 78 Cb 1.11 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 70.21 1rjf h THR 78 CO 0.07 0.80 -0.28 0.22 0.37 0.00 0.00 175.52 176.69 1rjf h TYR 79 N 0.00 0.54 -0.01 3.16 3.20 -1.39 -2.52 116.97 119.95 1rjf h TYR 79 Ca -0.02 -0.20 -0.14 0.00 3.14 0.00 0.00 58.73 61.51 1rjf h TYR 79 Cb 1.65 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.81 1rjf h TYR 79 CO 0.00 0.90 -0.64 -0.07 -1.64 0.00 0.00 178.16 176.71 1rjf h LEU 80 N 0.02 0.05 -0.86 2.82 3.38 -1.62 -2.15 115.31 116.94 1rjf h LEU 80 Ca 0.00 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1rjf h LEU 80 Cb 0.88 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1rjf h LEU 80 CO 0.06 0.68 -0.15 -0.09 0.09 0.00 0.00 178.44 179.04 1rjf h ARG 81 N 0.03 0.68 0.04 1.13 2.43 -1.53 -2.42 114.38 114.74 1rjf h ARG 81 Ca -0.01 -0.23 -0.19 0.00 -0.81 0.00 0.00 59.98 58.74 1rjf h ARG 81 Cb 1.14 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 1rjf h ARG 81 CO 0.09 0.80 -0.99 1.15 -1.51 0.00 0.00 179.97 179.51 1rjf h THR 82 N 0.62 1.18 0.00 0.20 2.02 -1.34 -3.27 112.91 112.32 1rjf h THR 82 Ca 0.10 -2.30 0.00 0.00 0.77 0.00 0.00 66.41 64.98 1rjf h THR 82 Cb 0.60 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 1rjf h THR 82 CO 0.04 0.52 0.00 1.33 0.37 0.00 0.00 175.52 177.78 1rjf n VAL 83 N -4.30 0.39 -0.03 3.16 0.24 -0.82 -2.00 118.33 114.97 1rjf n VAL 83 Ca -0.24 -0.13 -0.15 0.00 -2.04 0.00 0.00 64.34 61.78 1rjf n VAL 83 Cb 0.71 -0.60 -0.12 0.00 -1.47 0.00 0.00 33.84 32.36 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 4.52 0.12 1.29 7.63 0.00 -1.58 -2.41 103.07 112.64 1rjf h GLY 84 Ca 0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 1rjf h GLY 84 CO 0.00 0.21 -0.01 -2.22 0.00 0.00 0.00 176.54 174.52 1rjf h ILE 85 N -0.66 1.25 0.00 2.60 2.04 -1.60 -3.01 117.51 118.13 1rjf h ILE 85 Ca -0.03 -1.06 -0.12 0.00 1.00 0.00 0.00 64.86 64.65 1rjf h ILE 85 Cb 1.01 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1rjf h ILE 85 CO 0.04 0.37 -0.58 0.44 0.00 0.00 0.00 178.15 178.42 1rjf h ASP 86 N 0.79 0.00 0.79 1.72 3.32 -1.50 -2.47 116.42 119.07 1rjf h ASP 86 Ca 0.15 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.06 1rjf h ASP 86 Cb 0.49 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1rjf h ASP 86 CO 0.02 0.58 -0.68 0.00 -1.72 0.00 0.00 179.24 177.45 1rjf h ALA 87 N 1.42 0.81 0.04 3.45 0.00 -1.39 -2.60 119.26 120.98 1rjf h ALA 87 Ca -0.01 -0.62 -0.23 0.00 0.00 0.00 0.00 54.91 54.06 1rjf h ALA 87 Cb 1.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1rjf h ALA 87 CO 0.08 0.85 -1.00 0.00 0.00 0.00 0.00 179.25 179.17 1rjf h ALA 88 N 1.32 0.35 -0.15 0.00 0.00 -1.39 -2.97 119.26 116.42 1rjf h ALA 88 Ca -0.01 -0.78 -0.07 0.00 0.00 0.00 0.00 54.91 54.05 1rjf h ALA 88 Cb 1.25 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1rjf h ALA 88 CO 0.09 0.93 -0.19 0.82 0.00 0.00 0.00 179.25 180.90 1rjf h ILE 89 N 0.12 1.35 0.00 0.00 2.04 -1.44 -3.11 117.51 116.47 1rjf h ILE 89 Ca -0.07 -1.39 -0.07 0.00 1.00 0.00 0.00 64.86 64.33 1rjf h ILE 89 Cb 1.67 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 39.67 1rjf h ILE 89 CO 0.16 0.41 -0.32 -0.07 0.00 0.00 0.00 178.15 178.33 1rjf h LEU 90 N 0.01 0.00 -0.64 1.44 3.38 -1.57 -2.34 115.31 115.58 1rjf h LEU 90 Ca 0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1rjf h LEU 90 Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1rjf h LEU 90 CO 0.04 0.32 -0.33 -0.08 0.09 0.00 0.00 178.44 178.48 1rjf h GLU 91 N 0.00 0.70 0.00 1.13 4.81 -1.55 -2.91 114.58 116.75 1rjf h GLU 91 Ca -0.00 -0.33 -0.12 0.00 -0.13 0.00 0.00 59.36 58.78 1rjf h GLU 91 Cb 0.77 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 1rjf h GLU 91 CO 0.04 0.93 -0.57 0.35 -0.73 0.00 0.00 179.01 179.03 1rjf h PHE 92 N 0.59 0.00 0.00 0.92 3.57 -1.40 -3.19 116.94 117.42 1rjf h PHE 92 Ca 0.06 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 1rjf h PHE 92 Cb 0.85 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1rjf h PHE 92 CO 0.04 0.57 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.32 1rjf h LEU 93 N 0.00 0.00 -0.39 0.59 -0.00 -1.29 -1.97 115.31 112.24 1rjf h LEU 93 Ca -0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.73 1rjf h LEU 93 Cb 1.05 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.70 1rjf h LEU 93 CO 0.07 0.30 -0.32 0.58 -0.00 0.00 0.00 178.44 179.08 1rjf h VAL 94 N 0.00 1.28 0.00 1.22 2.07 -1.50 -3.20 116.25 116.11 1rjf h VAL 94 Ca -0.00 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.03 1rjf h VAL 94 Cb 0.99 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1rjf h VAL 94 CO 0.04 0.50 -0.30 0.00 0.02 0.00 0.00 177.57 177.83 1rjf n ALA 95 N -2.53 2.81 -3.68 1.67 0.00 -1.15 -4.78 120.51 112.85 1rjf n ALA 95 Ca -0.02 -0.19 -0.23 0.00 0.00 0.00 0.00 53.44 52.99 1rjf n ALA 95 Cb 0.51 -1.30 -0.17 0.00 0.00 0.00 0.00 19.45 18.49 1rjf n ALA 95 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1rjf s ASN 96 N -3.59 1.82 -0.04 0.00 0.01 -0.75 -5.04 114.94 107.34 1rjf s ASN 96 Ca 0.11 -0.28 -0.22 0.00 -0.71 0.00 0.00 52.86 51.75 1rjf s ASN 96 Cb 0.16 -0.29 -0.16 0.00 0.41 0.00 0.00 41.25 41.37 1rjf s ASN 96 CO 0.64 -0.28 0.96 -0.08 -1.51 0.00 0.00 177.10 176.83 1rjf h GLU 97 N 8.39 -0.22 -5.33 -0.60 4.81 -1.87 -3.41 114.58 116.36 1rjf h GLU 97 Ca -0.15 0.01 -0.61 0.00 -0.13 0.00 0.00 59.36 58.48 1rjf h GLU 97 Cb 1.13 0.05 -0.13 0.00 0.63 0.00 0.00 28.75 30.43 1rjf h GLU 97 CO 0.24 0.21 -0.20 0.21 -0.73 0.00 0.00 179.01 178.74 1rjf s LYS 98 N -3.65 4.12 0.12 1.92 2.20 -1.26 -4.56 119.74 118.62 1rjf s LYS 98 Ca -0.13 0.15 -0.06 0.00 -0.36 0.00 0.00 55.97 55.57 1rjf s LYS 98 Cb 0.01 -3.58 -0.02 0.00 -1.51 0.00 0.00 37.83 32.73 1rjf s LYS 98 CO 0.50 -0.13 0.15 0.08 -0.36 0.00 0.00 175.35 175.60 1rjf s VAL 99 N 1.60 0.12 -0.02 4.02 1.01 -1.19 -4.41 120.40 121.54 1rjf s VAL 99 Ca 0.18 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 60.64 1rjf s VAL 99 Cb -0.15 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.56 1rjf s VAL 99 CO 0.08 -0.56 0.00 0.00 0.00 0.00 0.00 175.10 174.63 1rjf s GLN 100 N -3.95 0.16 0.08 2.72 -2.07 -0.82 -1.59 119.66 114.19 1rjf s GLN 100 Ca 0.13 0.05 0.04 0.00 -1.82 0.00 0.00 55.36 53.76 1rjf s GLN 100 Cb 0.06 -0.29 -0.04 0.00 -1.09 0.00 0.00 33.01 31.64 1rjf s GLN 100 CO -0.04 -0.08 0.04 0.08 -1.32 0.00 0.00 175.29 173.97 1rjf s VAL 101 N 0.62 4.32 -0.41 3.63 1.01 -0.96 -2.13 120.40 126.48 1rjf s VAL 101 Ca -0.06 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.12 1rjf s VAL 101 Cb -0.08 -3.06 0.16 0.00 0.00 0.00 0.00 36.38 33.40 1rjf s VAL 101 CO -0.01 0.14 0.32 -0.69 0.00 0.00 0.00 175.10 174.85 1rjf s VAL 102 N -1.34 0.39 -0.82 2.92 1.01 -0.90 -1.07 120.40 120.59 1rjf s VAL 102 Ca 0.27 -2.50 -0.25 0.00 0.00 0.00 0.00 61.98 59.50 1rjf s VAL 102 Cb -0.12 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1rjf s VAL 102 CO 0.20 -1.17 1.74 0.21 0.00 0.00 0.00 175.10 176.07 1rjf s ASN 103 N 0.23 5.57 0.05 3.32 3.84 -0.75 -2.81 114.94 124.39 1rjf s ASN 103 Ca 0.29 -0.50 -0.30 0.00 0.21 0.00 0.00 52.86 52.56 1rjf s ASN 103 Cb -0.02 -2.55 -0.05 0.00 -0.55 0.00 0.00 41.25 38.07 1rjf s ASN 103 CO -0.15 -2.29 1.08 -0.76 -2.79 0.00 0.00 177.10 172.19 1rjf s LEU 104 N 8.25 4.39 -1.14 3.21 1.43 -0.71 -2.38 118.68 131.74 1rjf s LEU 104 Ca 0.60 1.86 -0.03 0.00 -1.03 0.00 0.00 54.13 55.53 1rjf s LEU 104 Cb -0.07 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.54 1rjf s LEU 104 CO 0.06 -0.33 0.96 0.61 0.23 0.00 0.00 176.35 177.88 1rjf n GLY 105 N 2.91 -0.71 0.16 -3.19 0.00 -0.67 -4.01 105.19 99.68 1rjf n GLY 105 Ca 0.07 0.31 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 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 0.18 2.97 1.34 0.00 0.00 -1.26 -3.02 105.19 105.41 1rjf n GLY 107 Ca -0.05 -0.24 -0.05 0.00 0.00 0.00 0.00 46.02 45.68 1rjf n GLY 107 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rjf n SER 108 N 8.72 3.13 -4.71 1.61 3.41 -1.26 -4.93 113.62 119.59 1rjf n SER 108 Ca 0.00 -3.56 -0.42 0.00 -0.26 0.00 0.00 58.87 54.63 1rjf n SER 108 Cb 0.00 -0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 63.26 1rjf n SER 108 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1rjf s ASP 109 N -2.11 7.01 -0.26 4.04 2.15 -1.17 -4.94 116.67 121.39 1rjf s ASP 109 Ca 0.47 2.11 0.09 0.00 0.43 0.00 0.00 52.55 55.65 1rjf s ASP 109 Cb 0.41 -2.58 0.46 0.00 -0.30 0.00 0.00 42.92 40.90 1rjf s ASP 109 CO 0.04 -0.51 1.33 0.18 -0.17 0.00 0.00 175.17 176.04 1rjf n LEU 110 N 3.85 3.64 0.06 -1.34 4.77 -1.26 -4.67 117.00 122.04 1rjf n LEU 110 Ca 0.09 -3.98 0.13 0.00 -0.03 0.00 0.00 56.01 52.22 1rjf n LEU 110 Cb 0.45 -0.56 0.50 0.00 -2.33 0.00 0.00 43.42 41.48 1rjf n LEU 110 CO 0.56 1.45 0.91 -2.11 -1.33 0.00 0.00 177.39 176.87 1rjf n ARG 111 N -1.07 0.13 0.20 3.23 1.85 -1.26 -3.18 116.66 116.57 1rjf n ARG 111 Ca 0.29 0.13 0.07 0.00 -1.00 0.00 0.00 57.85 57.34 1rjf n ARG 111 Cb 0.86 -1.66 0.43 0.00 -1.05 0.00 0.00 32.46 31.03 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 0.21 2.89 -0.00 -1.99 -3.13 114.93 112.90 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 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.20 1rjf h MET 112 CO 0.00 0.31 -0.10 -0.07 -0.00 0.00 0.00 176.91 177.05 1rjf h LEU 113 N 0.00 -0.24 -1.08 -0.10 3.38 -1.93 -2.16 115.31 113.18 1rjf h LEU 113 Ca -0.00 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 1rjf h LEU 113 Cb 0.73 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1rjf h LEU 113 CO 0.04 0.08 -0.31 1.55 0.09 0.00 0.00 178.44 179.89 1rjf h PRO 114 N -0.57 0.26 0.00 1.13 0.13 -1.77 -3.20 132.00 127.99 1rjf h PRO 114 Ca -0.03 -0.10 -0.09 0.00 -0.87 0.00 0.00 66.00 64.91 1rjf h PRO 114 Cb 0.42 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 1rjf h PRO 114 CO 0.05 0.55 -0.43 -0.07 -0.23 0.00 0.00 178.00 177.87 1rjf h LEU 115 N 0.23 0.00 -0.09 1.56 3.38 -1.50 -2.71 115.31 116.18 1rjf h LEU 115 Ca 0.03 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.77 1rjf h LEU 115 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1rjf h LEU 115 CO 0.05 0.43 -1.03 -0.07 0.09 0.00 0.00 178.44 177.91 1rjf h LEU 116 N 0.00 0.43 -0.24 1.67 3.38 -1.39 -2.85 115.31 116.31 1rjf h LEU 116 Ca -0.00 -0.39 -0.21 0.00 0.09 0.00 0.00 57.88 57.37 1rjf h LEU 116 Cb 0.79 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1rjf h LEU 116 CO 0.06 1.22 -0.80 -0.61 0.09 0.00 0.00 178.44 178.40 1rjf h GLN 117 N 0.15 0.60 0.06 1.13 4.15 -1.53 -3.31 115.11 116.36 1rjf h GLN 117 Ca -0.09 -0.52 -0.24 0.00 0.77 0.00 0.00 58.65 58.58 1rjf h GLN 117 Cb 1.70 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 29.49 1rjf h GLN 117 CO 0.17 1.14 -1.09 0.52 -1.93 0.00 0.00 178.83 177.64 1rjf h MET 118 N 0.40 0.14 -4.57 1.69 2.86 -1.59 -3.42 114.93 110.44 1rjf h MET 118 Ca -0.05 -0.23 -0.66 0.00 -2.06 0.00 0.00 59.70 56.70 1rjf h MET 118 Cb 1.41 0.08 -0.40 0.00 0.06 0.00 0.00 31.60 32.75 1rjf h MET 118 CO 0.15 1.09 -0.72 -0.06 1.06 0.00 0.00 176.91 178.44 1rjf s PHE 119 N -2.75 3.66 0.46 -0.22 0.08 -1.08 -5.00 117.98 113.14 1rjf s PHE 119 Ca -0.02 -2.97 0.12 0.00 0.12 0.00 0.00 56.93 54.19 1rjf s PHE 119 Cb 0.09 -2.88 1.06 0.00 -0.57 0.00 0.00 43.02 40.72 1rjf s PHE 119 CO 0.85 -0.94 2.08 -1.35 -0.10 0.00 0.00 175.22 175.76 1rjf h PRO 120 N 7.56 0.19 -0.56 0.24 0.11 -1.82 -2.90 132.00 134.83 1rjf h PRO 120 Ca -0.05 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1rjf h PRO 120 Cb 1.01 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1rjf h PRO 120 CO 0.53 0.17 0.00 0.72 -0.21 0.00 0.00 178.00 179.21 1rjf n HIS 121 N -4.47 0.87 -3.60 0.65 8.25 -1.26 -4.92 115.22 110.74 1rjf n HIS 121 Ca -0.01 -0.37 -0.37 0.00 -0.26 0.00 0.00 57.72 56.71 1rjf n HIS 121 Cb 0.12 -0.11 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 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 -1.24 4.37 0.43 2.41 0.20 -1.10 -3.18 118.68 120.56 1rjf s LEU 122 Ca 0.33 0.67 0.08 0.00 0.69 0.00 0.00 54.13 55.90 1rjf s LEU 122 Cb 0.20 -2.39 -0.01 0.00 -0.43 0.00 0.00 46.19 43.56 1rjf s LEU 122 CO 0.18 0.26 0.43 0.00 -0.29 0.00 0.00 176.35 176.93 1rjf s ALA 123 N -0.46 4.19 -0.10 5.97 0.00 -0.62 -4.88 121.76 125.87 1rjf s ALA 123 Ca 0.19 -1.83 -0.21 0.00 0.00 0.00 0.00 51.96 50.12 1rjf s ALA 123 Cb -0.14 -1.12 0.05 0.00 0.00 0.00 0.00 23.12 21.90 1rjf s ALA 123 CO 0.08 -0.27 0.49 -0.47 0.00 0.00 0.00 175.76 175.59 1rjf s TYR 124 N -2.48 -0.47 -0.32 0.00 5.04 -0.93 -2.26 117.35 115.93 1rjf s TYR 124 Ca 0.49 0.95 -0.01 0.00 -2.44 0.00 0.00 57.07 56.06 1rjf s TYR 124 Cb -0.04 0.22 0.13 0.00 0.35 0.00 0.00 41.96 42.62 1rjf s TYR 124 CO 0.29 -0.40 0.21 0.08 -1.34 0.00 0.00 175.55 174.39 1rjf s VAL 125 N -0.65 -0.06 0.08 3.14 1.01 -0.23 -2.09 120.40 121.60 1rjf s VAL 125 Ca -0.07 -1.13 -0.30 0.00 0.00 0.00 0.00 61.98 60.47 1rjf s VAL 125 Cb -0.03 -0.99 -0.06 0.00 0.00 0.00 0.00 36.38 35.30 1rjf s VAL 125 CO 0.04 -0.78 1.12 -1.81 0.00 0.00 0.00 175.10 173.67 1rjf s ASP 126 N 1.64 7.20 -0.03 3.32 1.01 -0.87 -1.80 116.67 127.14 1rjf s ASP 126 Ca 0.14 1.96 -0.00 0.00 0.71 0.00 0.00 52.55 55.35 1rjf s ASP 126 Cb -0.18 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.19 1rjf s ASP 126 CO -0.17 -0.34 0.02 -0.63 0.21 0.00 0.00 175.17 174.25 1rjf s ILE 127 N 0.64 0.09 0.38 0.77 1.01 -1.00 -1.94 121.20 121.15 1rjf s ILE 127 Ca 0.54 0.17 -0.11 0.00 0.00 0.00 0.00 60.65 61.25 1rjf s ILE 127 Cb -0.28 -0.22 0.05 0.00 0.01 0.00 0.00 42.46 42.02 1rjf s ILE 127 CO 0.31 0.14 0.70 -0.67 0.00 0.00 0.00 174.94 175.42 1rjf n ASP 128 N 4.38 -2.02 -4.60 3.58 2.03 -1.17 -1.67 116.55 117.08 1rjf n ASP 128 Ca -0.22 -2.64 -0.31 0.00 0.52 0.00 0.00 54.79 52.13 1rjf n ASP 128 Cb 0.50 3.43 0.16 0.00 -0.72 0.00 0.00 41.12 44.50 1rjf n ASP 128 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1rjf n TYR 129 N -0.53 0.19 -0.14 -0.67 0.53 -1.25 -1.93 117.16 113.36 1rjf n TYR 129 Ca -0.06 0.34 0.05 0.00 -1.02 0.00 0.00 57.90 57.21 1rjf n TYR 129 Cb 0.58 -1.93 0.36 0.00 -1.03 0.00 0.00 39.34 37.32 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 -1.85 0.64 0.21 7.72 -0.73 -1.93 -2.35 115.58 117.28 1rjf h ASN 130 Ca -0.44 -0.00 -0.20 0.00 1.87 0.00 0.00 56.30 57.52 1rjf h ASN 130 Cb 1.28 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.72 1rjf h ASN 130 CO 0.40 0.43 -0.80 -0.33 -0.37 0.00 0.00 177.43 176.75 1rjf h GLU 131 N 0.74 0.47 -0.26 6.67 3.07 -2.00 -2.90 114.58 120.36 1rjf h GLU 131 Ca 0.27 -0.42 -0.10 0.00 -0.50 0.00 0.00 59.36 58.61 1rjf h GLU 131 Cb 0.14 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 1rjf h GLU 131 CO -0.08 1.06 -0.22 0.77 -1.40 0.00 0.00 179.01 179.14 1rjf h SER 132 N 0.31 0.65 1.67 1.42 0.02 -1.79 -3.13 113.55 112.70 1rjf h SER 132 Ca -0.05 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1rjf h SER 132 Cb 1.41 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1rjf h SER 132 CO 0.14 0.97 -0.03 -0.37 -1.14 0.00 0.00 176.83 176.40 1rjf h VAL 133 N 0.34 0.00 0.07 2.27 -1.51 -1.54 -2.70 116.25 113.18 1rjf h VAL 133 Ca 0.05 -0.70 -0.27 0.00 -1.23 0.00 0.00 66.70 64.55 1rjf h VAL 133 Cb 0.76 1.68 0.01 0.00 -2.13 0.00 0.00 31.29 31.62 1rjf h VAL 133 CO 0.06 0.00 -1.13 -0.33 -1.23 0.00 0.00 177.57 174.94 1rjf h GLU 134 N 0.00 0.49 -0.07 5.19 4.39 -1.54 -1.94 114.58 121.10 1rjf h GLU 134 Ca 0.00 -0.62 -0.18 0.00 0.34 0.00 0.00 59.36 58.90 1rjf h GLU 134 Cb 0.85 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1rjf h GLU 134 CO 0.00 1.25 -0.73 1.25 -1.16 0.00 0.00 179.01 179.62 1rjf h LEU 135 N 0.23 0.42 -0.77 1.33 5.85 -1.56 -2.90 115.31 117.90 1rjf h LEU 135 Ca -0.14 -0.27 -0.13 0.00 0.84 0.00 0.00 57.88 58.18 1rjf h LEU 135 Cb 1.80 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.69 1rjf h LEU 135 CO 0.20 1.01 -0.60 0.50 -0.34 0.00 0.00 178.44 179.21 1rjf h LYS 136 N 0.24 0.00 -0.11 1.25 3.64 -1.53 -2.54 116.57 117.51 1rjf h LYS 136 Ca -0.03 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.22 1rjf h LYS 136 Cb 1.29 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1rjf h LYS 136 CO 0.12 0.60 -0.52 -0.97 -2.27 0.00 0.00 179.45 176.41 1rjf h ASN 137 N 0.00 0.33 0.34 4.20 -1.24 -1.32 -2.50 115.58 115.39 1rjf h ASN 137 Ca -0.01 -0.17 -0.19 0.00 0.71 0.00 0.00 56.30 56.65 1rjf h ASN 137 Cb 1.08 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 40.03 1rjf h ASN 137 CO 0.08 0.79 -0.78 0.28 -1.29 0.00 0.00 177.43 176.51 1rjf h SER 138 N 0.24 0.42 0.28 1.15 0.02 -1.39 -2.99 113.55 111.27 1rjf h SER 138 Ca 0.01 -0.30 -0.27 0.00 -0.84 0.00 0.00 61.79 60.40 1rjf h SER 138 Cb 1.00 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.43 1rjf h SER 138 CO 0.08 1.05 -1.12 0.40 -1.14 0.00 0.00 176.83 176.11 1rjf h ILE 139 N 0.22 1.36 -0.13 3.27 2.04 -1.41 -2.37 117.51 120.51 1rjf h ILE 139 Ca -0.04 -2.53 -0.15 0.00 1.00 0.00 0.00 64.86 63.13 1rjf h ILE 139 Cb 1.37 2.60 -0.01 0.00 -0.74 0.00 0.00 36.82 40.04 1rjf h ILE 139 CO 0.13 0.76 -0.58 -0.07 0.00 0.00 0.00 178.15 178.39 1rjf h LEU 140 N 0.24 0.45 0.00 1.44 3.38 -1.55 -2.87 115.31 116.40 1rjf h LEU 140 Ca -0.13 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1rjf h LEU 140 Cb 1.78 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1rjf h LEU 140 CO 0.20 0.93 -0.36 0.03 0.09 0.00 0.00 178.44 179.33 1rjf h ARG 141 N 0.30 0.00 0.01 1.13 3.08 -1.57 -3.08 114.38 114.25 1rjf h ARG 141 Ca -0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.73 1rjf h ARG 141 Cb 1.10 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.11 1rjf h ARG 141 CO 0.10 0.00 -1.72 -1.91 -1.07 0.00 0.00 179.97 175.37 1rjf n GLU 142 N -2.30 0.59 -1.78 0.04 4.07 -0.89 -4.30 120.64 116.07 1rjf n GLU 142 Ca 0.04 0.45 -0.41 0.00 -0.06 0.00 0.00 57.16 57.19 1rjf n GLU 142 Cb 0.45 -1.66 0.01 0.00 -0.06 0.00 0.00 31.44 30.18 1rjf n GLU 142 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1rjf s SER 143 N -7.05 6.12 0.02 4.31 0.15 -1.08 -4.95 113.70 111.22 1rjf s SER 143 Ca -0.32 3.03 -0.19 0.00 0.70 0.00 0.00 55.95 59.18 1rjf s SER 143 Cb 0.09 -2.66 -0.21 0.00 -1.71 0.00 0.00 66.02 61.52 1rjf s SER 143 CO 0.57 -1.02 1.16 -0.08 1.20 0.00 0.00 173.24 175.08 1rjf h GLU 144 N 2.71 0.45 -0.11 5.44 4.81 -1.91 -2.84 114.58 123.13 1rjf h GLU 144 Ca -0.51 -0.42 -0.18 0.00 -0.13 0.00 0.00 59.36 58.12 1rjf h GLU 144 Cb 1.25 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.73 1rjf h GLU 144 CO 0.63 1.07 -0.68 0.97 -0.73 0.00 0.00 179.01 180.26 1rjf h ILE 145 N -0.01 1.35 0.00 2.32 2.10 -1.95 -2.83 117.51 118.49 1rjf h ILE 145 Ca -0.05 -2.02 -0.14 0.00 1.08 0.00 0.00 64.86 63.72 1rjf h ILE 145 Cb 1.22 2.00 -0.02 0.00 -1.09 0.00 0.00 36.82 38.93 1rjf h ILE 145 CO 0.11 0.62 -0.67 -0.07 -1.08 0.00 0.00 178.15 177.05 1rjf h LEU 146 N 0.34 0.00 0.19 2.19 3.38 -1.84 -3.00 115.31 116.56 1rjf h LEU 146 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1rjf h LEU 146 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1rjf h LEU 146 CO 0.12 0.67 -0.09 -0.09 0.09 0.00 0.00 178.44 179.14 1rjf h ARG 147 N 0.00 -0.24 0.00 1.13 2.43 -1.40 -3.21 114.38 113.09 1rjf h ARG 147 Ca -0.01 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1rjf h ARG 147 Cb 1.26 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 1rjf h ARG 147 CO 0.09 0.02 -0.37 0.82 -1.51 0.00 0.00 179.97 179.02 1rjf h ILE 148 N -0.49 1.03 -0.43 1.20 2.04 -1.56 -0.77 117.51 118.52 1rjf h ILE 148 Ca -0.03 -1.38 -0.10 0.00 1.00 0.00 0.00 64.86 64.35 1rjf h ILE 148 Cb 0.38 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 1rjf h ILE 148 CO 0.04 0.36 -0.15 0.77 0.00 0.00 0.00 178.15 179.17 1rjf h SER 149 N 0.00 0.81 0.22 1.72 4.64 -1.59 -3.10 113.55 116.25 1rjf h SER 149 Ca -0.00 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1rjf h SER 149 Cb 0.77 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1rjf h SER 149 CO 0.05 0.97 -0.58 0.18 -0.87 0.00 0.00 176.83 176.57 1rjf n LEU 150 N -4.14 1.00 -2.15 5.97 4.77 -1.06 -4.99 117.00 116.40 1rjf n LEU 150 Ca 0.01 -0.32 -0.12 0.00 -0.03 0.00 0.00 56.01 55.55 1rjf n LEU 150 Cb 0.40 -0.11 0.04 0.00 -2.33 0.00 0.00 43.42 41.42 1rjf n LEU 150 CO 0.44 0.21 0.12 0.61 -1.33 0.00 0.00 177.39 177.44 1rjf n GLY 151 N 1.45 0.14 3.99 -0.72 0.00 -0.36 -4.86 105.19 104.84 1rjf n GLY 151 Ca 0.07 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.32 3.42 0.46 0.99 1.43 -0.81 -5.01 118.68 114.85 1rjf s LEU 152 Ca 0.26 -0.63 0.08 0.00 -1.03 0.00 0.00 54.13 52.82 1rjf s LEU 152 Cb -0.12 -2.22 0.03 0.00 0.03 0.00 0.00 46.19 43.91 1rjf s LEU 152 CO 0.38 -0.92 0.61 -0.94 0.23 0.00 0.00 176.35 175.72 1rjf s SER 153 N -4.40 5.44 -0.26 2.29 1.04 -1.26 -4.77 113.70 111.78 1rjf s SER 153 Ca 0.55 -0.58 0.11 0.00 0.48 0.00 0.00 55.95 56.51 1rjf s SER 153 Cb -0.07 -0.37 0.72 0.00 0.10 0.00 0.00 66.02 66.40 1rjf s SER 153 CO 0.33 -0.92 1.68 2.29 0.98 0.00 0.00 173.24 177.61 1rjf n LYS 154 N -1.93 4.06 -4.12 4.02 2.85 -1.26 -4.75 118.16 117.03 1rjf n LYS 154 Ca 0.10 -2.85 -0.10 0.00 -1.05 0.00 0.00 58.31 54.41 1rjf n LYS 154 Cb 0.60 -2.18 -0.09 0.00 -0.65 0.00 0.00 35.03 32.71 1rjf n LYS 154 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1rjf s GLU 155 N -2.69 1.00 -0.75 -1.58 1.03 -1.26 -4.88 118.70 109.56 1rjf s GLU 155 Ca 0.50 -1.41 -0.26 0.00 0.03 0.00 0.00 54.97 53.83 1rjf s GLU 155 Cb 0.39 0.27 0.01 0.00 -0.80 0.00 0.00 34.13 34.00 1rjf s GLU 155 CO 0.14 -0.30 1.56 -0.51 -1.33 0.00 0.00 175.26 174.81 1rjf s ASP 156 N -3.04 5.81 -0.34 0.83 1.11 -1.26 -4.81 116.67 114.96 1rjf s ASP 156 Ca 0.24 -0.34 0.06 0.00 0.18 0.00 0.00 52.55 52.69 1rjf s ASP 156 Cb 0.07 -2.55 0.47 0.00 1.07 0.00 0.00 42.92 41.97 1rjf s ASP 156 CO 0.02 -2.07 1.40 0.35 1.18 0.00 0.00 175.17 176.05 1rjf n THR 157 N 6.87 2.69 -3.59 -1.27 -2.24 -1.26 -5.04 114.28 110.44 1rjf n THR 157 Ca 0.16 -3.58 -0.20 0.00 -2.27 0.00 0.00 64.05 58.17 1rjf n THR 157 Cb 0.50 -0.86 0.02 0.00 -2.10 0.00 0.00 70.33 67.88 1rjf n THR 157 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rjf n ALA 158 N -0.88 0.79 -3.83 6.98 0.00 -1.26 -5.02 120.51 117.28 1rjf n ALA 158 Ca 0.42 -1.79 -0.07 0.00 0.00 0.00 0.00 53.44 52.00 1rjf n ALA 158 Cb 0.91 0.67 0.00 0.00 0.00 0.00 0.00 19.45 21.02 1rjf n ALA 158 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1rjf s LYS 159 N -3.94 1.88 3.33 0.00 0.00 -1.25 -5.08 119.74 114.68 1rjf s LYS 159 Ca 0.33 -1.13 0.00 0.00 0.00 0.00 0.00 55.97 55.17 1rjf s LYS 159 Cb -0.03 0.58 0.00 0.00 0.00 0.00 0.00 37.83 38.39 1rjf s LYS 159 CO 0.21 -0.87 0.00 -1.13 0.00 0.00 0.00 175.35 173.56 1rjf n SER 160 N -0.88 -1.10 0.00 0.03 3.41 -1.26 -2.72 113.62 111.10 1rjf n SER 160 Ca -0.06 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.69 1rjf n SER 160 Cb 0.60 0.00 0.79 0.00 -0.26 0.00 0.00 64.21 65.34 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 0.00 0.69 -3.27 4.33 -0.04 -1.26 -4.83 135.00 130.62 1rjf n PRO 161 Ca 0.00 0.01 -0.34 0.00 -0.04 0.00 0.00 63.50 63.13 1rjf n PRO 161 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 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 -2.24 3.54 -0.14 0.54 0.40 -1.10 -3.67 117.98 115.31 1rjf s PHE 162 Ca 0.36 1.13 0.15 0.00 -0.60 0.00 0.00 56.93 57.97 1rjf s PHE 162 Cb 0.19 -2.43 -0.24 0.00 0.51 0.00 0.00 43.02 41.05 1rjf s PHE 162 CO 0.37 0.32 0.31 1.28 0.70 0.00 0.00 175.22 178.20 1rjf n LEU 163 N 0.39 0.41 -4.10 -0.37 4.77 -0.98 -3.88 117.00 113.24 1rjf n LEU 163 Ca -0.02 0.17 -0.21 0.00 -0.03 0.00 0.00 56.01 55.92 1rjf n LEU 163 Cb 0.52 0.34 -0.15 0.00 -2.33 0.00 0.00 43.42 41.80 1rjf n LEU 163 CO 0.43 0.46 -0.47 -0.63 -1.33 0.00 0.00 177.39 175.86 1rjf s ILE 164 N -2.53 1.04 -0.46 -0.08 1.01 -1.22 -4.62 121.20 114.34 1rjf s ILE 164 Ca -0.08 -0.61 0.07 0.00 0.00 0.00 0.00 60.65 60.02 1rjf s ILE 164 Cb 0.07 -0.88 0.23 0.00 0.01 0.00 0.00 42.46 41.89 1rjf s ILE 164 CO 0.82 0.26 0.71 -0.67 0.00 0.00 0.00 174.94 176.06 1rjf n ASP 165 N 2.66 -1.88 -3.97 3.58 -0.08 -1.26 -2.33 116.55 113.27 1rjf n ASP 165 Ca -0.14 -2.98 -0.31 0.00 -1.51 0.00 0.00 54.79 49.85 1rjf n ASP 165 Cb 0.55 0.89 -0.15 0.00 2.34 0.00 0.00 41.12 44.75 1rjf n ASP 165 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1rjf s GLN 166 N 0.13 1.68 5.47 -0.67 2.00 -1.04 -5.02 119.66 122.21 1rjf s GLN 166 Ca 0.33 -1.23 0.00 0.00 -2.00 0.00 0.00 55.36 52.45 1rjf s GLN 166 Cb 0.16 -2.72 0.00 0.00 0.80 0.00 0.00 33.01 31.25 1rjf s GLN 166 CO -0.17 -0.68 0.00 0.41 -0.50 0.00 0.00 175.29 174.35 1rjf n GLY 167 N 4.56 1.43 1.77 2.59 0.00 -1.26 -2.95 105.19 111.33 1rjf n GLY 167 Ca -0.09 0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 3.22 -3.73 1.61 1.74 -1.26 -4.98 116.66 113.25 1rjf n ARG 168 Ca 0.00 -3.98 -0.12 0.00 -0.77 0.00 0.00 57.85 52.97 1rjf n ARG 168 Cb 0.00 -2.16 -0.13 0.00 -1.02 0.00 0.00 32.46 29.15 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 -3.54 -0.34 -0.24 -1.55 5.04 -1.15 -2.18 117.35 113.39 1rjf s TYR 169 Ca 0.49 0.80 -0.04 0.00 -2.44 0.00 0.00 57.07 55.88 1rjf s TYR 169 Cb 0.41 0.06 0.08 0.00 0.35 0.00 0.00 41.96 42.86 1rjf s TYR 169 CO 0.02 -0.23 0.10 0.15 -1.34 0.00 0.00 175.55 174.25 1rjf s LYS 170 N 1.18 0.24 0.36 4.97 1.02 -0.89 -2.49 119.74 124.14 1rjf s LYS 170 Ca -0.09 -0.39 -0.22 0.00 0.02 0.00 0.00 55.97 55.29 1rjf s LYS 170 Cb -0.10 -1.58 -0.10 0.00 -0.52 0.00 0.00 37.83 35.53 1rjf s LYS 170 CO -0.08 -0.84 0.89 -1.17 -0.92 0.00 0.00 175.35 173.23 1rjf s LEU 171 N 2.05 4.12 -0.24 3.17 2.96 -0.98 -2.05 118.68 127.70 1rjf s LEU 171 Ca 0.05 1.65 -0.26 0.00 -0.22 0.00 0.00 54.13 55.35 1rjf s LEU 171 Cb -0.16 -4.21 0.08 0.00 0.50 0.00 0.00 46.19 42.39 1rjf s LEU 171 CO -0.22 -0.21 0.76 0.00 -1.32 0.00 0.00 176.35 175.36 1rjf s ALA 172 N -1.91 -1.81 0.05 5.97 0.00 -0.82 -2.33 121.76 120.92 1rjf s ALA 172 Ca 0.55 1.92 -0.20 0.00 0.00 0.00 0.00 51.96 54.23 1rjf s ALA 172 Cb -0.13 -1.07 -0.06 0.00 0.00 0.00 0.00 23.12 21.86 1rjf s ALA 172 CO 0.18 -0.33 0.60 0.00 0.00 0.00 0.00 175.76 176.21 1rjf s ALA 173 N 0.15 3.53 -0.28 0.00 0.00 -1.24 -3.06 121.76 120.85 1rjf s ALA 173 Ca -0.01 0.06 -0.21 0.00 0.00 0.00 0.00 51.96 51.81 1rjf s ALA 173 Cb -0.04 -2.71 0.13 0.00 0.00 0.00 0.00 23.12 20.49 1rjf s ALA 173 CO 0.01 0.29 0.99 0.00 0.00 0.00 0.00 175.76 177.05 1rjf s ASP 175 N 0.77 6.51 0.22 0.00 2.15 -1.26 -3.91 116.67 121.15 1rjf s ASP 175 Ca -0.03 0.22 0.26 0.00 0.43 0.00 0.00 52.55 53.43 1rjf s ASP 175 Cb -0.04 -2.39 0.84 0.00 -0.30 0.00 0.00 42.92 41.03 1rjf s ASP 175 CO -0.11 -0.78 1.77 0.18 -0.17 0.00 0.00 175.17 176.06 1rjf n LEU 176 N 6.49 0.79 0.16 -1.34 4.77 -1.26 -2.71 117.00 123.91 1rjf n LEU 176 Ca 0.03 0.59 0.03 0.00 -0.03 0.00 0.00 56.01 56.63 1rjf n LEU 176 Cb 0.48 -0.36 0.23 0.00 -2.33 0.00 0.00 43.42 41.44 1rjf n LEU 176 CO 0.55 -0.25 0.59 0.78 -1.33 0.00 0.00 177.39 177.73 1rjf h ASN 177 N 0.00 0.00 -3.61 -1.43 4.21 -1.93 -3.41 115.58 109.41 1rjf h ASN 177 Ca 0.00 0.00 -0.62 0.00 1.21 0.00 0.00 56.30 56.89 1rjf h ASN 177 Cb 0.68 0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 37.75 1rjf h ASN 177 CO 0.00 0.47 0.36 -0.62 -1.29 0.00 0.00 177.43 176.35 1rjf s ASP 178 N -6.52 6.44 0.41 5.81 2.15 -1.10 -4.94 116.67 118.92 1rjf s ASP 178 Ca 0.01 -0.02 0.24 0.00 0.43 0.00 0.00 52.55 53.20 1rjf s ASP 178 Cb 0.11 -2.39 0.43 0.00 -0.30 0.00 0.00 42.92 40.77 1rjf s ASP 178 CO 0.71 -0.89 1.64 -0.29 -0.17 0.00 0.00 175.17 176.18 1rjf h ILE 179 N 5.94 0.00 -0.20 4.11 6.09 -1.84 -2.72 117.51 128.89 1rjf h ILE 179 Ca -0.25 -0.91 -0.21 0.00 -1.37 0.00 0.00 64.86 62.12 1rjf h ILE 179 Cb 1.09 1.91 0.01 0.00 0.47 0.00 0.00 36.82 40.29 1rjf h ILE 179 CO 0.95 0.00 -0.70 0.74 -3.07 0.00 0.00 178.15 176.08 1rjf h THR 180 N 0.00 1.28 0.00 2.19 2.02 -1.94 -2.64 112.91 113.82 1rjf h THR 180 Ca 0.00 -1.89 -0.07 0.00 0.77 0.00 0.00 66.41 65.22 1rjf h THR 180 Cb 0.95 1.85 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 1rjf h THR 180 CO 0.00 0.60 -0.34 -0.08 0.37 0.00 0.00 175.52 176.08 1rjf h GLU 181 N 0.59 0.00 0.01 6.66 4.81 -1.87 -3.00 114.58 121.77 1rjf h GLU 181 Ca -0.03 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1rjf h GLU 181 Cb 1.32 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.70 1rjf h GLU 181 CO 0.15 0.34 -0.32 1.15 -0.73 0.00 0.00 179.01 179.60 1rjf h THR 182 N 0.00 1.54 -0.11 0.32 2.02 -1.48 -3.01 112.91 112.19 1rjf h THR 182 Ca -0.00 -2.01 -0.13 0.00 0.77 0.00 0.00 66.41 65.04 1rjf h THR 182 Cb 1.10 2.79 -0.01 0.00 -1.74 0.00 0.00 68.15 70.29 1rjf h THR 182 CO 0.04 0.56 -0.49 0.71 0.37 0.00 0.00 175.52 176.71 1rjf h THR 183 N -0.46 1.34 -0.12 3.16 1.35 -1.57 -2.47 112.91 114.14 1rjf h THR 183 Ca -0.04 -1.71 -0.10 0.00 -0.55 0.00 0.00 66.41 64.02 1rjf h THR 183 Cb 1.08 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 69.28 1rjf h THR 183 CO 0.06 0.51 -0.36 0.03 -0.25 0.00 0.00 175.52 175.51 1rjf h ARG 184 N 0.24 0.24 -0.30 4.72 3.08 -1.63 -2.50 114.38 118.23 1rjf h ARG 184 Ca 0.01 -0.10 -0.18 0.00 0.07 0.00 0.00 59.98 59.78 1rjf h ARG 184 Cb 0.94 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.99 1rjf h ARG 184 CO 0.08 0.58 -0.53 1.25 -1.07 0.00 0.00 179.97 180.28 1rjf h LEU 185 N 0.21 0.99 -0.91 3.04 5.85 -1.37 -3.22 115.31 119.90 1rjf h LEU 185 Ca 0.02 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1rjf h LEU 185 Cb 0.74 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1rjf h LEU 185 CO 0.06 1.32 0.00 -0.07 -0.34 0.00 0.00 178.44 179.41 1rjf h LEU 186 N 0.68 0.00 -0.37 2.25 3.38 -1.28 -2.95 115.31 117.02 1rjf h LEU 186 Ca 0.02 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 1rjf h LEU 186 Cb 1.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1rjf h LEU 186 CO 0.12 0.00 -0.69 0.44 0.09 0.00 0.00 178.44 178.40 1rjf h ASP 187 N 0.00 0.66 0.16 -0.43 3.32 -1.45 -2.59 116.42 116.09 1rjf h ASP 187 Ca 0.00 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1rjf h ASP 187 Cb 0.56 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1rjf h ASP 187 CO 0.00 1.16 -0.26 1.33 -1.72 0.00 0.00 179.24 179.74 1rjf n VAL 188 N -3.90 0.00 -0.13 -1.35 0.24 -1.12 -4.28 118.33 107.78 1rjf n VAL 188 Ca -0.05 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1rjf n VAL 188 Cb 0.69 0.58 0.00 0.00 -1.47 0.00 0.00 33.84 33.64 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 -0.40 0.26 0.12 0.00 -4.23 -0.97 -5.03 115.64 105.39 1rjf s THR 190 Ca 0.00 -1.83 0.09 0.00 -1.18 0.00 0.00 61.69 58.76 1rjf s THR 190 Cb 0.00 -1.59 -0.04 0.00 1.34 0.00 0.00 72.50 72.21 1rjf s THR 190 CO 0.00 -0.93 -0.16 -0.54 -0.54 0.00 0.00 174.62 172.45 1rjf s LYS 191 N -3.92 1.86 0.07 3.99 1.02 -1.26 -4.60 119.74 116.90 1rjf s LYS 191 Ca 0.09 -1.18 -0.22 0.00 0.02 0.00 0.00 55.97 54.69 1rjf s LYS 191 Cb 0.08 -2.14 -0.13 0.00 -0.52 0.00 0.00 37.83 35.12 1rjf s LYS 191 CO -0.08 0.48 1.61 -0.09 -0.92 0.00 0.00 175.35 176.34 1rjf h ARG 192 N 3.60 0.14 0.00 1.68 2.43 -1.95 -3.28 114.38 117.00 1rjf h ARG 192 Ca -0.49 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1rjf h ARG 192 Cb 1.17 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1rjf h ARG 192 CO 0.48 0.25 0.00 -0.85 -1.51 0.00 0.00 179.97 178.34 1rjf n GLU 193 N -4.93 0.14 -2.71 0.20 0.00 -1.26 -2.75 120.64 109.34 1rjf n GLU 193 Ca -0.06 0.15 -0.41 0.00 0.00 0.00 0.00 57.16 56.85 1rjf n GLU 193 Cb 0.11 -1.68 -0.05 0.00 0.00 0.00 0.00 31.44 29.83 1rjf n GLU 193 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1rjf s ILE 194 N -3.07 4.24 0.32 3.84 1.01 -1.24 -4.75 121.20 121.55 1rjf s ILE 194 Ca 0.11 2.01 -0.29 0.00 0.00 0.00 0.00 60.65 62.49 1rjf s ILE 194 Cb 0.14 -4.28 -0.12 0.00 0.01 0.00 0.00 42.46 38.21 1rjf s ILE 194 CO 0.54 0.39 1.43 -2.65 0.00 0.00 0.00 174.94 174.65 1rjf n PRO 195 N 2.19 2.39 -3.72 2.79 -0.02 -1.26 -4.65 135.00 132.73 1rjf n PRO 195 Ca 0.01 0.84 -0.27 0.00 -2.02 0.00 0.00 63.50 62.06 1rjf n PRO 195 Cb 0.48 -2.52 -0.17 0.00 -0.02 0.00 0.00 33.50 31.27 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 -0.67 0.41 -0.50 3.45 2.01 -0.89 -1.95 115.64 117.50 1rjf s THR 196 Ca 0.59 -0.44 -0.26 0.00 0.31 0.00 0.00 61.69 61.89 1rjf s THR 196 Cb -0.54 -0.92 0.03 0.00 0.01 0.00 0.00 72.50 71.08 1rjf s THR 196 CO 0.57 -0.19 0.99 -0.63 -0.69 0.00 0.00 174.62 174.67 1rjf s ILE 197 N 1.91 4.36 -0.09 1.82 1.01 -0.91 -2.22 121.20 127.08 1rjf s ILE 197 Ca -0.00 0.72 -0.15 0.00 0.00 0.00 0.00 60.65 61.22 1rjf s ILE 197 Cb -0.17 -4.52 -0.05 0.00 0.01 0.00 0.00 42.46 37.74 1rjf s ILE 197 CO -0.08 -0.98 0.39 -0.69 0.00 0.00 0.00 174.94 173.57 1rjf s VAL 198 N 4.04 5.18 0.06 2.92 1.01 -0.82 -2.11 120.40 130.68 1rjf s VAL 198 Ca 0.38 0.76 0.08 0.00 0.00 0.00 0.00 61.98 63.20 1rjf s VAL 198 Cb -0.10 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1rjf s VAL 198 CO 0.25 0.44 -0.19 -0.63 0.00 0.00 0.00 175.10 174.97 1rjf s ILE 199 N -0.03 2.70 -0.42 2.22 1.01 -1.12 -1.80 121.20 123.75 1rjf s ILE 199 Ca 0.22 -1.28 0.05 0.00 0.00 0.00 0.00 60.65 59.63 1rjf s ILE 199 Cb -0.15 -2.15 0.18 0.00 0.01 0.00 0.00 42.46 40.35 1rjf s ILE 199 CO 0.09 0.29 0.41 -1.54 0.00 0.00 0.00 174.94 174.20 1rjf n SER 200 N 1.43 -0.83 -4.49 3.58 3.41 -0.97 -1.74 113.62 114.01 1rjf n SER 200 Ca -0.16 -2.48 -0.43 0.00 -0.26 0.00 0.00 58.87 55.53 1rjf n SER 200 Cb 0.52 -0.24 -0.05 0.00 -0.26 0.00 0.00 64.21 64.18 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 0.05 3.23 -1.15 4.33 2.12 -1.26 -2.92 118.70 123.10 1rjf s GLU 201 Ca 0.33 -0.56 -0.03 0.00 0.36 0.00 0.00 54.97 55.06 1rjf s GLU 201 Cb 0.05 -4.07 -0.03 0.00 0.26 0.00 0.00 34.13 30.34 1rjf s GLU 201 CO -0.17 -1.34 0.93 0.00 -0.54 0.00 0.00 175.26 174.13 1rjf n LEU 203 N -3.80 0.50 0.26 0.00 7.94 -1.26 -4.85 117.00 115.79 1rjf n LEU 203 Ca -0.20 0.16 0.15 0.00 -1.11 0.00 0.00 56.01 55.01 1rjf n LEU 203 Cb 0.65 -0.09 0.59 0.00 0.53 0.00 0.00 43.42 45.10 1rjf n LEU 203 CO 0.61 -0.55 0.93 -0.07 -1.11 0.00 0.00 177.39 177.20 1rjf h LEU 204 N 0.00 0.00 -0.92 -1.96 3.38 -1.90 -2.93 115.31 110.97 1rjf h LEU 204 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1rjf h LEU 204 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1rjf h LEU 204 CO 0.00 0.07 -0.00 0.00 0.09 0.00 0.00 178.44 178.59 1rjf h TYR 206 N 0.73 0.00 -4.40 0.00 -1.99 -1.75 -3.33 116.97 106.23 1rjf h TYR 206 Ca 0.14 0.00 -0.49 0.00 2.00 0.00 0.00 58.73 60.38 1rjf h TYR 206 Cb 0.45 0.00 0.08 0.00 2.00 0.00 0.00 36.73 39.26 1rjf h TYR 206 CO 0.02 0.53 0.39 -1.64 -0.00 0.00 0.00 178.16 177.46 1rjf s MET 207 N -3.43 2.77 0.89 4.88 -1.94 -1.11 -4.61 119.30 116.75 1rjf s MET 207 Ca 0.00 0.37 -0.11 0.00 -1.71 0.00 0.00 55.69 54.24 1rjf s MET 207 Cb 0.11 -2.04 0.18 0.00 2.01 0.00 0.00 34.83 35.09 1rjf s MET 207 CO 0.73 -1.06 1.22 -1.01 -0.01 0.00 0.00 175.02 174.90 1rjf s HIS 208 N -3.34 1.57 0.00 -0.03 3.76 -1.26 -4.42 115.29 111.57 1rjf s HIS 208 Ca 0.58 0.13 -0.24 0.00 -0.15 0.00 0.00 55.06 55.38 1rjf s HIS 208 Cb -0.11 -3.78 -0.15 0.00 1.11 0.00 0.00 32.58 29.66 1rjf s HIS 208 CO 0.51 -2.37 1.09 -0.97 -0.85 0.00 0.00 174.74 172.14 1rjf h ASN 209 N -1.31 -0.53 1.92 1.40 -0.00 -1.94 -2.79 115.58 112.34 1rjf h ASN 209 Ca -0.42 -0.08 0.00 0.00 -0.00 0.00 0.00 56.30 55.80 1rjf h ASN 209 Cb 1.24 0.14 0.00 0.00 -0.00 0.00 0.00 38.32 39.70 1rjf h ASN 209 CO 0.38 -0.14 0.00 -1.13 -0.00 0.00 0.00 177.43 176.54 1rjf h ASN 210 N -1.00 0.00 0.19 1.15 -1.24 -1.98 -2.16 115.58 110.54 1rjf h ASN 210 Ca -0.06 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 56.81 1rjf h ASN 210 Cb 0.58 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 1rjf h ASN 210 CO 0.11 0.00 -0.51 -0.33 -1.29 0.00 0.00 177.43 175.40 1rjf h GLU 211 N 0.00 0.37 0.04 6.67 3.07 -1.97 -2.36 114.58 120.39 1rjf h GLU 211 Ca 0.00 -0.22 -0.24 0.00 -0.50 0.00 0.00 59.36 58.40 1rjf h GLU 211 Cb 0.96 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.87 1rjf h GLU 211 CO 0.00 0.79 -1.21 0.66 -1.40 0.00 0.00 179.01 177.86 1rjf h SER 212 N 0.29 0.12 1.34 1.42 4.64 -1.37 -2.94 113.55 117.05 1rjf h SER 212 Ca 0.01 -0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 61.15 1rjf h SER 212 Cb 1.00 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1rjf h SER 212 CO 0.09 1.12 -0.15 -0.61 -0.87 0.00 0.00 176.83 176.40 1rjf h GLN 213 N 0.02 0.00 0.04 4.77 5.75 -1.42 -1.98 115.11 122.30 1rjf h GLN 213 Ca -0.10 0.00 -0.23 0.00 -0.15 0.00 0.00 58.65 58.17 1rjf h GLN 213 Cb 1.87 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.41 1rjf h GLN 213 CO 0.14 0.15 -1.03 1.25 -2.65 0.00 0.00 178.83 176.70 1rjf h LEU 214 N 0.00 0.27 -0.47 -2.39 5.85 -1.46 -2.92 115.31 114.19 1rjf h LEU 214 Ca -0.00 -0.25 -0.14 0.00 0.84 0.00 0.00 57.88 58.33 1rjf h LEU 214 Cb 0.87 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1rjf h LEU 214 CO 0.02 1.13 -0.65 0.25 -0.34 0.00 0.00 178.44 178.85 1rjf h LEU 215 N 0.08 0.00 0.18 2.25 5.85 -1.31 -2.93 115.31 119.42 1rjf h LEU 215 Ca -0.07 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.36 1rjf h LEU 215 Cb 1.72 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.77 1rjf h LEU 215 CO 0.16 0.65 -1.41 0.40 -0.34 0.00 0.00 178.44 177.90 1rjf h ILE 216 N 0.00 1.16 0.00 4.05 2.04 -1.44 -3.15 117.51 120.17 1rjf h ILE 216 Ca -0.01 -2.54 -0.12 0.00 1.00 0.00 0.00 64.86 63.20 1rjf h ILE 216 Cb 1.29 2.91 -0.02 0.00 -0.74 0.00 0.00 36.82 40.26 1rjf h ILE 216 CO 0.08 0.78 -0.57 0.78 0.00 0.00 0.00 178.15 179.22 1rjf h ASN 217 N -0.08 0.00 0.02 1.72 2.35 -1.62 -2.73 115.58 115.23 1rjf h ASN 217 Ca -0.27 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.37 1rjf h ASN 217 Cb 1.94 0.00 0.01 0.00 0.05 0.00 0.00 38.32 40.32 1rjf h ASN 217 CO 0.17 0.57 -0.43 0.74 -1.65 0.00 0.00 177.43 176.83 1rjf h THR 218 N 0.00 1.51 -0.26 2.81 2.02 -1.65 -2.97 112.91 114.38 1rjf h THR 218 Ca -0.01 -2.09 -0.16 0.00 0.77 0.00 0.00 66.41 64.92 1rjf h THR 218 Cb 1.11 2.79 -0.01 0.00 -1.74 0.00 0.00 68.15 70.31 1rjf h THR 218 CO 0.07 0.59 -0.49 0.40 0.37 0.00 0.00 175.52 176.46 1rjf h ILE 219 N -0.37 1.30 -0.24 3.11 2.04 -1.62 -2.05 117.51 119.69 1rjf h ILE 219 Ca -0.06 -1.70 -0.09 0.00 1.00 0.00 0.00 64.86 64.01 1rjf h ILE 219 Cb 1.20 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 1rjf h ILE 219 CO 0.08 0.54 -0.25 0.24 0.00 0.00 0.00 178.15 178.77 1rjf h MET 220 N 0.56 0.44 0.00 2.37 2.86 -1.62 -2.87 114.93 116.68 1rjf h MET 220 Ca 0.03 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 1rjf h MET 220 Cb 1.06 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.68 1rjf h MET 220 CO 0.10 0.66 -0.11 0.77 1.06 0.00 0.00 176.91 179.39 1rjf h SER 221 N 0.39 0.00 1.22 1.22 0.02 -1.39 -3.26 113.55 111.75 1rjf h SER 221 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1rjf h SER 221 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1rjf h SER 221 CO 0.05 0.11 -0.18 0.29 -1.14 0.00 0.00 176.83 175.96 1rjf n LYS 222 N -3.15 0.23 -4.31 3.45 5.02 -0.78 -4.84 118.16 113.78 1rjf n LYS 222 Ca 0.03 0.15 -0.25 0.00 -2.02 0.00 0.00 58.31 56.21 1rjf n LYS 222 Cb 0.53 -1.72 -0.13 0.00 -0.02 0.00 0.00 35.03 33.69 1rjf n LYS 222 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1rjf s PHE 223 N -3.10 1.90 -0.10 2.13 0.08 -1.20 -4.55 117.98 113.14 1rjf s PHE 223 Ca 0.10 -0.41 -0.00 0.00 0.12 0.00 0.00 56.93 56.73 1rjf s PHE 223 Cb 0.14 -1.04 -0.00 0.00 -0.57 0.00 0.00 43.02 41.55 1rjf s PHE 223 CO 0.62 0.24 -0.01 0.77 -0.10 0.00 0.00 175.22 176.74 1rjf h SER 224 N 4.02 0.00 -3.19 1.36 0.02 -1.79 -3.45 113.55 110.53 1rjf h SER 224 Ca -0.47 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.81 1rjf h SER 224 Cb 1.18 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.58 1rjf h SER 224 CO 0.40 0.48 -0.59 -2.28 -1.14 0.00 0.00 176.83 173.69 1rjf s HIS 225 N -1.55 3.25 0.20 3.45 5.65 -1.26 -2.50 115.29 122.53 1rjf s HIS 225 Ca -0.01 0.24 -0.22 0.00 0.25 0.00 0.00 55.06 55.32 1rjf s HIS 225 Cb 0.00 -1.84 0.07 0.00 -1.18 0.00 0.00 32.58 29.63 1rjf s HIS 225 CO 0.01 0.49 1.01 0.20 -0.65 0.00 0.00 174.74 175.80 1rjf s GLY 226 N -0.79 0.13 -0.26 1.59 0.00 -1.18 -2.10 107.32 104.72 1rjf s GLY 226 Ca 0.12 -0.37 -0.05 0.00 0.00 0.00 0.00 44.72 44.42 1rjf s GLY 226 CO 0.02 2.14 0.51 -2.27 0.00 0.00 0.00 173.10 173.51 1rjf s LEU 227 N -3.37 -0.94 -0.42 0.66 2.96 -0.94 -3.13 118.68 113.50 1rjf s LEU 227 Ca 0.21 0.94 -0.15 0.00 -0.22 0.00 0.00 54.13 54.91 1rjf s LEU 227 Cb -0.03 1.72 0.03 0.00 0.50 0.00 0.00 46.19 48.41 1rjf s LEU 227 CO 0.06 -0.25 0.32 0.86 -1.32 0.00 0.00 176.35 176.02 1rjf s TRP 228 N 2.73 3.24 -0.30 5.38 -0.11 -0.85 -1.93 118.94 127.10 1rjf s TRP 228 Ca 0.06 -0.66 -0.13 0.00 1.22 0.00 0.00 56.10 56.58 1rjf s TRP 228 Cb -0.13 -2.70 -0.03 0.00 -1.50 0.00 0.00 33.47 29.10 1rjf s TRP 228 CO -0.17 -0.63 0.29 0.42 -4.62 0.00 0.00 176.95 172.24 1rjf s ILE 229 N 1.67 5.24 -0.14 5.86 1.01 -0.75 -2.42 121.20 131.67 1rjf s ILE 229 Ca 0.05 0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.92 1rjf s ILE 229 Cb -0.20 -3.66 0.04 0.00 0.01 0.00 0.00 42.46 38.65 1rjf s ILE 229 CO 0.09 0.13 -0.03 -0.55 0.00 0.00 0.00 174.94 174.58 1rjf s SER 230 N 1.71 2.46 -0.20 3.58 0.15 -0.86 -2.28 113.70 118.25 1rjf s SER 230 Ca 0.10 -0.50 -0.08 0.00 0.70 0.00 0.00 55.95 56.18 1rjf s SER 230 Cb -0.16 -0.75 -0.04 0.00 -1.71 0.00 0.00 66.02 63.36 1rjf s SER 230 CO 0.11 -0.19 0.08 -0.47 1.20 0.00 0.00 173.24 173.96 1rjf s TYR 231 N 1.76 3.23 0.19 3.44 5.04 -1.15 -2.44 117.35 127.41 1rjf s TYR 231 Ca 0.02 0.01 -0.19 0.00 -2.44 0.00 0.00 57.07 54.46 1rjf s TYR 231 Cb -0.14 -2.13 0.04 0.00 0.35 0.00 0.00 41.96 40.08 1rjf s TYR 231 CO -0.07 0.05 0.56 -0.51 -1.34 0.00 0.00 175.55 174.24 1rjf s ASP 232 N 0.68 -0.35 0.29 4.32 1.01 -1.23 -2.72 116.67 118.67 1rjf s ASP 232 Ca 0.04 -0.33 -0.13 0.00 0.71 0.00 0.00 52.55 52.84 1rjf s ASP 232 Cb -0.13 0.59 -0.08 0.00 1.01 0.00 0.00 42.92 44.31 1rjf s ASP 232 CO 0.02 -1.04 0.67 -2.16 0.21 0.00 0.00 175.17 172.86 1rjf s PRO 233 N -3.83 3.93 0.06 8.23 0.04 -1.26 -2.01 135.00 140.15 1rjf s PRO 233 Ca 0.06 0.53 0.09 0.00 0.04 0.00 0.00 61.00 61.73 1rjf s PRO 233 Cb -0.01 -2.50 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 1rjf s PRO 233 CO -0.06 0.21 -0.26 0.96 0.04 0.00 0.00 177.00 177.89 1rjf s ILE 234 N -1.93 2.11 0.25 0.56 -4.36 -0.95 -4.90 121.20 111.98 1rjf s ILE 234 Ca 0.52 -1.43 0.22 0.00 -0.26 0.00 0.00 60.65 59.69 1rjf s ILE 234 Cb -0.11 -1.82 0.20 0.00 1.25 0.00 0.00 42.46 41.98 1rjf s ILE 234 CO 0.19 0.31 1.86 1.23 0.24 0.00 0.00 174.94 178.76 1rjf h GLY 235 N 4.66 0.00 0.00 6.27 0.00 -1.68 -3.43 103.07 108.89 1rjf h GLY 235 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1rjf h GLY 235 CO 0.43 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.58 1rjf n GLY 236 N -0.11 2.58 0.08 4.60 0.00 -0.98 -2.73 105.19 108.63 1rjf n GLY 236 Ca -0.01 -1.49 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 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 0.03 -3.89 1.61 4.64 -1.86 -3.46 113.55 110.61 1rjf h SER 237 Ca 0.00 -0.06 -0.48 0.00 -0.47 0.00 0.00 61.79 60.78 1rjf h SER 237 Cb 0.00 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1rjf h SER 237 CO 0.00 1.05 0.41 -1.10 -0.87 0.00 0.00 176.83 176.32 1rjf s GLN 238 N -2.62 4.42 0.82 4.77 -1.52 -1.26 -5.04 119.66 119.24 1rjf s GLN 238 Ca -0.04 1.54 -0.12 0.00 -1.95 0.00 0.00 55.36 54.79 1rjf s GLN 238 Cb 0.08 -2.80 0.09 0.00 -0.22 0.00 0.00 33.01 30.16 1rjf s GLN 238 CO 0.82 0.08 1.15 -2.14 -0.25 0.00 0.00 175.29 174.96 1rjf s PRO 239 N -2.06 1.65 0.00 2.91 0.02 -1.26 -3.11 135.00 133.15 1rjf s PRO 239 Ca 0.52 1.54 0.00 0.00 0.02 0.00 0.00 61.00 63.08 1rjf s PRO 239 Cb -0.24 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.48 1rjf s PRO 239 CO 0.30 -2.16 0.00 0.09 -0.33 0.00 0.00 177.00 174.90 1rjf n ASN 240 N -3.58 0.00 -4.57 2.53 4.13 -1.26 -4.95 115.26 107.56 1rjf n ASN 240 Ca 0.12 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.96 1rjf n ASN 240 Cb 0.52 -1.24 -0.03 0.00 -1.54 0.00 0.00 39.78 37.49 1rjf n ASN 240 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1rjf s ASP 241 N -2.57 6.10 -0.09 6.41 -1.08 -1.18 -4.86 116.67 119.40 1rjf s ASP 241 Ca 0.00 0.16 0.09 0.00 -0.52 0.00 0.00 52.55 52.28 1rjf s ASP 241 Cb 0.00 -2.55 0.43 0.00 -1.46 0.00 0.00 42.92 39.34 1rjf s ASP 241 CO 0.00 -1.75 1.23 0.54 0.52 0.00 0.00 175.17 175.71 1rjf n ARG 242 N 8.79 2.77 -0.28 4.34 1.74 -1.26 -4.28 116.66 128.48 1rjf n ARG 242 Ca 0.11 -1.67 -0.06 0.00 -0.77 0.00 0.00 57.85 55.46 1rjf n ARG 242 Cb 0.49 -1.72 0.06 0.00 -1.02 0.00 0.00 32.46 30.27 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 2.29 1.18 -0.17 -1.55 3.57 -1.89 -0.85 116.94 119.51 1rjf h PHE 243 Ca 0.00 -0.10 -0.17 0.00 3.53 0.00 0.00 57.97 61.23 1rjf h PHE 243 Cb 1.06 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 1rjf h PHE 243 CO 0.50 0.90 -0.61 0.78 -2.23 0.00 0.00 178.31 177.65 1rjf h GLY 244 N 1.11 0.64 1.77 2.40 0.00 -1.69 -2.25 103.07 105.05 1rjf h GLY 244 Ca 0.25 -0.79 -0.18 0.00 0.00 0.00 0.00 47.33 46.61 1rjf h GLY 244 CO -0.02 0.70 -0.79 0.00 0.00 0.00 0.00 176.54 176.44 1rjf h ALA 245 N 0.90 0.62 -0.04 3.60 0.00 -1.81 -2.99 119.26 119.55 1rjf h ALA 245 Ca -0.00 -0.66 -0.20 0.00 0.00 0.00 0.00 54.91 54.04 1rjf h ALA 245 Cb 1.17 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1rjf h ALA 245 CO 0.12 0.85 -0.83 0.82 0.00 0.00 0.00 179.25 180.21 1rjf h ILE 246 N 0.13 1.40 -0.60 0.00 2.04 -1.19 -2.75 117.51 116.55 1rjf h ILE 246 Ca -0.03 -2.32 -0.05 0.00 1.00 0.00 0.00 64.86 63.46 1rjf h ILE 246 Cb 1.38 2.27 -0.03 0.00 -0.74 0.00 0.00 36.82 39.71 1rjf h ILE 246 CO 0.12 0.69 0.17 -0.03 0.00 0.00 0.00 178.15 179.11 1rjf h MET 247 N 0.24 0.95 -0.00 2.37 4.05 -1.41 -1.93 114.93 119.19 1rjf h MET 247 Ca -0.05 -0.21 -0.15 0.00 -0.28 0.00 0.00 59.70 59.01 1rjf h MET 247 Cb 1.43 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 32.08 1rjf h MET 247 CO 0.14 0.85 -0.71 1.96 0.23 0.00 0.00 176.91 179.38 1rjf h GLN 248 N 0.86 0.01 -0.32 0.39 4.20 -1.57 -3.16 115.11 115.52 1rjf h GLN 248 Ca 0.19 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1rjf h GLN 248 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1rjf h GLN 248 CO -0.00 0.72 0.00 -1.13 -0.67 0.00 0.00 178.83 177.75 1rjf n SER 249 N -3.70 2.97 -0.07 1.46 3.41 -1.04 -3.11 113.62 113.55 1rjf n SER 249 Ca -0.01 -1.92 -0.12 0.00 -0.26 0.00 0.00 58.87 56.56 1rjf n SER 249 Cb 0.70 -0.20 -0.06 0.00 -0.26 0.00 0.00 64.21 64.38 1rjf n SER 249 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1rjf n ASN 250 N 1.18 2.18 -0.03 4.04 4.13 -0.74 -4.04 115.26 121.98 1rjf n ASN 250 Ca 0.18 0.03 0.15 0.00 1.68 0.00 0.00 54.58 56.62 1rjf n ASN 250 Cb 0.53 -0.30 0.84 0.00 -1.54 0.00 0.00 39.78 39.31 1rjf n ASN 250 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1rjf n LEU 251 N -3.20 0.11 0.01 3.41 4.32 -1.19 -2.24 117.00 118.21 1rjf n LEU 251 Ca -0.26 0.06 -0.20 0.00 -0.02 0.00 0.00 56.01 55.59 1rjf n LEU 251 Cb 0.74 -0.10 -0.14 0.00 -1.62 0.00 0.00 43.42 42.30 1rjf n LEU 251 CO 0.09 0.02 -0.75 1.17 -1.22 0.00 0.00 177.39 176.70 1rjf n LYS 252 N -1.02 0.74 0.12 3.23 4.81 -1.18 -2.65 118.16 122.21 1rjf n LYS 252 Ca 0.20 0.27 0.13 0.00 -0.87 0.00 0.00 58.31 58.04 1rjf n LYS 252 Cb 0.17 -1.73 0.42 0.00 0.02 0.00 0.00 35.03 33.92 1rjf n LYS 252 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1rjf n GLU 253 N -3.42 0.26 0.00 1.64 2.13 -1.06 -3.34 120.64 116.84 1rjf n GLU 253 Ca -0.29 0.28 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1rjf n GLU 253 Cb 1.05 -1.84 0.00 0.00 0.27 0.00 0.00 31.44 30.92 1rjf n GLU 253 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1rjf n SER 254 N -2.30 0.35 0.00 4.31 3.41 -0.95 -4.93 113.62 113.51 1rjf n SER 254 Ca 0.05 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 1rjf n SER 254 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.01 0.00 -1.43 4.33 5.12 -1.23 -5.05 116.66 118.40 1rjf n ARG 255 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1rjf n ARG 255 Cb 0.18 -0.37 0.00 0.00 -1.16 0.00 0.00 32.46 31.11 1rjf n ARG 255 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1rjf n ASN 256 N -2.22 -1.47 -3.56 0.55 2.85 -1.08 -5.02 115.26 105.31 1rjf n ASN 256 Ca 0.00 0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.30 1rjf n ASN 256 Cb 0.13 -0.37 -0.06 0.00 1.24 0.00 0.00 39.78 40.72 1rjf n ASN 256 CO 0.00 0.00 0.00 -1.48 -2.11 0.00 0.00 177.26 173.67 1rjf s LEU 257 N -1.54 -0.58 0.28 1.20 2.34 -1.22 -5.05 118.68 114.12 1rjf s LEU 257 Ca 0.00 0.83 0.07 0.00 0.06 0.00 0.00 54.13 55.09 1rjf s LEU 257 Cb 0.00 2.44 -0.03 0.00 -0.56 0.00 0.00 46.19 48.04 1rjf s LEU 257 CO 0.00 -0.52 0.22 -1.83 -1.06 0.00 0.00 176.35 173.15 1rjf s GLU 258 N -0.87 2.80 -0.59 1.48 -1.05 -1.26 -4.34 118.70 114.87 1rjf s GLU 258 Ca -0.09 -1.18 0.04 0.00 -0.15 0.00 0.00 54.97 53.60 1rjf s GLU 258 Cb -0.01 -2.50 0.15 0.00 -0.44 0.00 0.00 34.13 31.33 1rjf s GLU 258 CO 0.08 0.28 0.35 -1.64 0.95 0.00 0.00 175.26 175.28 1rjf s MET 259 N -3.89 2.16 0.00 -4.83 -1.94 -1.26 -4.54 119.30 105.00 1rjf s MET 259 Ca 0.36 -2.91 0.30 0.00 -1.71 0.00 0.00 55.69 51.73 1rjf s MET 259 Cb -0.07 -3.34 1.55 0.00 2.01 0.00 0.00 34.83 34.98 1rjf s MET 259 CO 0.25 -1.18 2.06 -0.35 -0.01 0.00 0.00 175.02 175.79 1rjf n PRO 260 N 2.65 0.48 -1.03 2.03 -0.04 -1.25 -3.38 135.00 134.46 1rjf n PRO 260 Ca 0.11 -0.01 -0.01 0.00 -0.04 0.00 0.00 63.50 63.55 1rjf n PRO 260 Cb 0.33 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.44 1rjf n PRO 260 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1rjf n THR 261 N -1.25 2.14 -0.08 0.52 -2.24 -1.26 -4.76 114.28 107.35 1rjf n THR 261 Ca 0.15 -3.34 -0.15 0.00 -2.27 0.00 0.00 64.05 58.44 1rjf n THR 261 Cb 0.23 -0.35 -0.12 0.00 -2.10 0.00 0.00 70.33 68.00 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 1.31 0.00 -0.77 3.22 5.85 -1.86 -3.17 115.31 119.89 1rjf h LEU 262 Ca 0.07 -0.78 -0.09 0.00 0.84 0.00 0.00 57.88 57.92 1rjf h LEU 262 Cb 1.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1rjf h LEU 262 CO 0.19 1.11 -0.43 0.24 -0.34 0.00 0.00 178.44 179.21 1rjf h MET 263 N -1.00 0.00 -0.02 1.25 2.86 -1.85 -3.00 114.93 113.17 1rjf h MET 263 Ca -0.10 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1rjf h MET 263 Cb 1.02 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.68 1rjf h MET 263 CO -0.06 0.43 -0.01 1.15 1.06 0.00 0.00 176.91 179.48 1rjf h THR 264 N 0.00 1.32 -3.07 2.22 2.02 -1.86 -3.32 112.91 110.22 1rjf h THR 264 Ca -0.00 -0.97 -0.78 0.00 0.77 0.00 0.00 66.41 65.43 1rjf h THR 264 Cb 1.01 1.93 -0.30 0.00 -1.74 0.00 0.00 68.15 69.04 1rjf h THR 264 CO 0.06 0.26 0.48 -1.22 0.37 0.00 0.00 175.52 175.46 1rjf n TYR 265 N -4.86 3.44 -0.71 3.16 4.02 -1.20 -4.86 117.16 116.15 1rjf n TYR 265 Ca -0.08 -3.26 0.07 0.00 -0.01 0.00 0.00 57.90 54.62 1rjf n TYR 265 Cb 0.22 -1.31 0.37 0.00 -0.02 0.00 0.00 39.34 38.61 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 1.75 5.28 -3.54 7.72 6.94 -1.18 -4.13 115.26 128.10 1rjf n ASN 266 Ca 0.25 -2.81 -0.11 0.00 -0.02 0.00 0.00 54.58 51.89 1rjf n ASN 266 Cb 0.36 -0.66 -0.04 0.00 -2.36 0.00 0.00 39.78 37.08 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 -0.72 0.33 0.36 0.53 1.04 -1.26 -2.33 113.70 111.64 1rjf s SER 267 Ca 0.50 -1.19 0.19 0.00 0.48 0.00 0.00 55.95 55.93 1rjf s SER 267 Cb 0.38 0.65 0.41 0.00 0.10 0.00 0.00 66.02 67.56 1rjf s SER 267 CO 0.15 -1.28 1.60 0.07 0.98 0.00 0.00 173.24 174.76 1rjf h LYS 268 N 2.16 0.00 0.22 4.02 2.10 -1.94 -2.75 116.57 120.39 1rjf h LYS 268 Ca -0.28 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.04 1rjf h LYS 268 Cb 1.25 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.60 1rjf h LYS 268 CO 0.38 0.34 -1.52 0.93 -2.00 0.00 0.00 179.45 177.58 1rjf h GLU 269 N 0.00 0.47 -0.30 0.07 3.07 -1.97 -3.09 114.58 112.84 1rjf h GLU 269 Ca -0.00 -0.81 -0.14 0.00 -0.50 0.00 0.00 59.36 57.91 1rjf h GLU 269 Cb 1.11 0.30 -0.01 0.00 -0.84 0.00 0.00 28.75 29.31 1rjf h GLU 269 CO 0.04 1.38 -0.37 0.87 -1.40 0.00 0.00 179.01 179.54 1rjf h LYS 270 N 0.13 0.68 -0.53 2.33 1.79 -1.96 -2.95 116.57 116.07 1rjf h LYS 270 Ca -0.26 -0.34 -0.08 0.00 -2.18 0.00 0.00 60.65 57.79 1rjf h LYS 270 Cb 2.13 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.77 1rjf h LYS 270 CO 0.25 0.94 0.01 -0.92 -1.08 0.00 0.00 179.45 178.64 1rjf h TYR 271 N 0.57 1.00 0.00 -1.35 3.20 -1.61 -3.02 116.97 115.76 1rjf h TYR 271 Ca 0.05 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.75 1rjf h TYR 271 Cb 0.89 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.90 1rjf h TYR 271 CO 0.04 0.92 0.00 0.00 -1.64 0.00 0.00 178.16 177.49 1rjf n ALA 272 N -2.45 1.94 0.39 1.82 0.00 -1.17 -3.13 120.51 117.92 1rjf n ALA 272 Ca 0.01 -0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.57 1rjf n ALA 272 Cb 0.32 -1.38 0.50 0.00 0.00 0.00 0.00 19.45 18.89 1rjf n ALA 272 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1rjf h SER 273 N 0.00 0.00 0.19 0.00 4.64 -1.38 -3.02 113.55 113.98 1rjf h SER 273 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1rjf h SER 273 Cb 0.44 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1rjf h SER 273 CO 0.00 0.00 -0.36 0.03 -0.87 0.00 0.00 176.83 175.63 1rjf h ARG 274 N 0.00 0.25 -1.14 4.77 3.08 -1.71 -2.95 114.38 116.68 1rjf h ARG 274 Ca 0.00 -0.11 -0.63 0.00 0.07 0.00 0.00 59.98 59.32 1rjf h ARG 274 Cb 0.53 -0.01 -0.26 0.00 0.08 0.00 0.00 29.97 30.31 1rjf h ARG 274 CO 0.00 0.58 0.81 0.91 -1.07 0.00 0.00 179.97 181.20 1rjf n TRP 275 N -4.07 2.94 0.27 3.04 8.01 -1.14 -4.60 117.44 121.90 1rjf n TRP 275 Ca -0.01 -2.83 0.15 0.00 -1.31 0.00 0.00 57.50 53.50 1rjf n TRP 275 Cb 0.44 -1.37 0.52 0.00 -2.01 0.00 0.00 31.31 28.90 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 1.97 0.00 -0.65 -0.99 4.64 -1.65 -2.93 113.55 113.94 1rjf h SER 276 Ca 0.56 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.85 1rjf h SER 276 Cb 0.79 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.85 1rjf h SER 276 CO 1.45 0.00 0.30 0.00 -0.87 0.00 0.00 176.83 177.72 1rjf h ALA 277 N 2.02 1.27 -2.70 5.18 0.00 -1.87 -3.41 119.26 119.74 1rjf h ALA 277 Ca 0.00 -0.15 -0.52 0.00 0.00 0.00 0.00 54.91 54.24 1rjf h ALA 277 Cb 0.65 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 18.19 1rjf h ALA 277 CO 0.00 0.56 0.55 0.00 0.00 0.00 0.00 179.25 180.35 1rjf s ALA 278 N -5.51 3.44 0.11 0.00 0.00 -1.11 -4.97 121.76 113.72 1rjf s ALA 278 Ca -0.11 0.96 -0.10 0.00 0.00 0.00 0.00 51.96 52.72 1rjf s ALA 278 Cb 0.16 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.76 1rjf s ALA 278 CO 0.80 -0.35 1.31 -1.00 0.00 0.00 0.00 175.76 176.52 1rjf h PRO 279 N 4.87 0.66 -4.43 0.00 0.13 -1.81 -3.42 132.00 128.00 1rjf h PRO 279 Ca -0.45 -0.59 -0.73 0.00 -0.87 0.00 0.00 66.00 63.36 1rjf h PRO 279 Cb 1.21 0.14 -0.22 0.00 0.13 0.00 0.00 31.00 32.26 1rjf h PRO 279 CO 0.73 1.20 -0.40 1.21 -0.23 0.00 0.00 178.00 180.51 1rjf s ASN 280 N -7.12 6.11 -0.30 1.44 2.47 -1.21 -5.03 114.94 111.30 1rjf s ASN 280 Ca -0.09 -1.06 -0.01 0.00 0.42 0.00 0.00 52.86 52.12 1rjf s ASN 280 Cb 0.09 -2.16 0.10 0.00 -1.45 0.00 0.00 41.25 37.82 1rjf s ASN 280 CO 0.89 -0.52 0.10 -0.69 -3.72 0.00 0.00 177.10 173.16 1rjf s VAL 281 N 1.66 0.76 0.22 -5.21 1.01 -1.26 -2.02 120.40 115.55 1rjf s VAL 281 Ca 0.05 -1.28 -0.07 0.00 0.00 0.00 0.00 61.98 60.68 1rjf s VAL 281 Cb -0.21 -1.56 -0.06 0.00 0.00 0.00 0.00 36.38 34.55 1rjf s VAL 281 CO 0.09 -0.65 0.50 -0.63 0.00 0.00 0.00 175.10 174.41 1rjf s ILE 282 N 1.68 5.02 -0.26 2.22 1.01 -0.84 -5.01 121.20 125.01 1rjf s ILE 282 Ca 0.09 0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.84 1rjf s ILE 282 Cb -0.17 -3.65 0.08 0.00 0.01 0.00 0.00 42.46 38.73 1rjf s ILE 282 CO -0.25 -0.10 0.65 0.54 0.00 0.00 0.00 174.94 175.77 1rjf s VAL 283 N -1.84 -0.01 -0.08 2.92 0.11 -1.26 -2.35 120.40 117.89 1rjf s VAL 283 Ca 0.45 0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.47 1rjf s VAL 283 Cb -0.11 -0.94 0.03 0.00 -1.53 0.00 0.00 36.38 33.83 1rjf s VAL 283 CO 0.24 0.01 0.18 0.20 -3.33 0.00 0.00 175.10 172.40 1rjf s ASN 284 N 1.62 -0.18 0.92 3.54 0.01 -1.17 -5.01 114.94 114.66 1rjf s ASN 284 Ca -0.10 0.38 -0.11 0.00 -0.71 0.00 0.00 52.86 52.32 1rjf s ASN 284 Cb -0.06 0.31 0.14 0.00 0.41 0.00 0.00 41.25 42.05 1rjf s ASN 284 CO -0.19 -0.12 1.09 1.51 -1.51 0.00 0.00 177.10 177.88 1rjf s ASP 285 N 0.83 3.22 0.25 -1.22 -4.77 -1.26 -2.32 116.67 111.41 1rjf s ASP 285 Ca -0.06 1.62 0.25 0.00 -3.30 0.00 0.00 52.55 51.07 1rjf s ASP 285 Cb -0.08 -2.28 0.90 0.00 -1.09 0.00 0.00 42.92 40.37 1rjf s ASP 285 CO -0.05 -2.82 1.75 0.24 0.70 0.00 0.00 175.17 175.00 1rjf h MET 286 N -1.67 0.00 -0.01 2.11 2.86 -1.09 -2.07 114.93 115.06 1rjf h MET 286 Ca -0.49 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 56.92 1rjf h MET 286 Cb 1.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.94 1rjf h MET 286 CO 0.52 0.00 -0.92 2.35 1.06 0.00 0.00 176.91 179.92 1rjf h TRP 287 N 0.00 0.64 -0.27 -0.22 2.91 -1.85 -2.51 115.95 114.65 1rjf h TRP 287 Ca 0.00 -0.34 -0.13 0.00 1.13 0.00 0.00 58.89 59.55 1rjf h TRP 287 Cb 0.57 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 29.13 1rjf h TRP 287 CO 0.00 1.15 -0.38 0.93 -1.03 0.00 0.00 178.44 179.11 1rjf h GLU 288 N 0.25 0.62 -0.02 2.65 5.08 -1.74 -2.96 114.58 118.47 1rjf h GLU 288 Ca -0.08 -0.31 -0.13 0.00 -1.00 0.00 0.00 59.36 57.84 1rjf h GLU 288 Cb 1.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.78 1rjf h GLU 288 CO 0.16 0.90 -0.62 0.82 -1.00 0.00 0.00 179.01 179.27 1rjf h ILE 289 N 0.51 1.43 -0.40 3.13 2.04 -1.46 -2.69 117.51 120.07 1rjf h ILE 289 Ca 0.05 -2.09 -0.11 0.00 1.00 0.00 0.00 64.86 63.71 1rjf h ILE 289 Cb 0.89 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 39.07 1rjf h ILE 289 CO 0.08 0.60 -0.20 0.15 0.00 0.00 0.00 178.15 178.78 1rjf h PHE 290 N 0.05 0.89 0.00 1.37 3.57 -1.33 -2.19 116.94 119.30 1rjf h PHE 290 Ca -0.01 -0.20 -0.09 0.00 3.53 0.00 0.00 57.97 61.20 1rjf h PHE 290 Cb 1.10 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 1rjf h PHE 290 CO 0.01 0.92 -1.16 -0.91 -2.23 0.00 0.00 178.31 174.94 1rjf h ASN 291 N 0.69 0.00 0.00 0.41 2.35 -1.51 -3.37 115.58 114.15 1rjf h ASN 291 Ca 0.10 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.75 1rjf h ASN 291 Cb 0.71 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 1rjf h ASN 291 CO 0.05 0.33 -1.04 0.00 -1.65 0.00 0.00 177.43 175.12 1rjf n ALA 292 N -2.29 2.32 0.06 -0.83 0.00 -1.02 -4.80 120.51 113.95 1rjf n ALA 292 Ca -0.05 -0.35 -0.09 0.00 0.00 0.00 0.00 53.44 52.95 1rjf n ALA 292 Cb 0.71 0.29 0.02 0.00 0.00 0.00 0.00 19.45 20.47 1rjf n ALA 292 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1rjf h GLN 293 N -0.35 0.34 -6.23 0.00 4.15 -1.58 -3.43 115.11 108.01 1rjf h GLN 293 Ca -0.14 -0.30 -0.56 0.00 0.77 0.00 0.00 58.65 58.41 1rjf h GLN 293 Cb 0.85 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.57 1rjf h GLN 293 CO -0.09 0.96 0.57 0.42 -1.93 0.00 0.00 178.83 178.76 1rjf s ILE 294 N -3.52 4.78 1.06 2.39 -1.09 -0.95 -5.04 121.20 118.84 1rjf s ILE 294 Ca -0.05 2.01 -0.12 0.00 -2.23 0.00 0.00 60.65 60.27 1rjf s ILE 294 Cb 0.10 -4.30 0.23 0.00 -1.58 0.00 0.00 42.46 36.91 1rjf s ILE 294 CO 0.84 -0.00 1.07 -2.84 -1.23 0.00 0.00 174.94 172.78 1rjf s PRO 295 N 2.09 -0.14 0.30 2.79 0.02 -1.26 -4.83 135.00 133.97 1rjf s PRO 295 Ca 0.47 1.13 0.10 0.00 0.02 0.00 0.00 61.00 62.72 1rjf s PRO 295 Cb -0.18 -1.62 0.48 0.00 0.02 0.00 0.00 34.50 33.19 1rjf s PRO 295 CO 0.17 -3.28 1.69 1.49 -0.33 0.00 0.00 177.00 176.73 1rjf h GLU 296 N -2.32 0.03 -0.29 5.54 4.57 -1.96 -2.89 114.58 117.26 1rjf h GLU 296 Ca -0.54 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 57.55 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 0.47 0.55 -0.12 0.66 -1.18 0.00 0.00 179.01 179.38 1rjf h SER 297 N 0.03 0.48 0.12 1.04 4.64 -2.01 -2.73 113.55 115.12 1rjf h SER 297 Ca -0.00 -0.12 -0.21 0.00 -0.47 0.00 0.00 61.79 60.98 1rjf h SER 297 Cb 0.93 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1rjf h SER 297 CO 0.07 0.64 -0.80 -0.33 -0.87 0.00 0.00 176.83 175.53 1rjf h GLU 298 N 0.46 0.55 -0.09 4.77 4.39 -1.89 -3.06 114.58 119.70 1rjf h GLU 298 Ca 0.09 -0.48 -0.08 0.00 0.34 0.00 0.00 59.36 59.22 1rjf h GLU 298 Cb 0.49 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1rjf h GLU 298 CO 0.03 1.11 -0.31 0.00 -1.16 0.00 0.00 179.01 178.67 1rjf h ARG 299 N 0.36 0.18 -0.35 2.33 3.08 -1.39 -2.73 114.38 115.86 1rjf h ARG 299 Ca -0.05 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.79 1rjf h ARG 299 Cb 1.41 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.44 1rjf h ARG 299 CO 0.15 0.48 -0.34 -0.22 -1.07 0.00 0.00 179.97 178.97 1rjf h LYS 300 N 0.16 0.84 -0.42 0.04 1.63 -1.52 -3.04 116.57 114.26 1rjf h LYS 300 Ca 0.02 -0.44 -0.09 0.00 -0.85 0.00 0.00 60.65 59.29 1rjf h LYS 300 Cb 0.64 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.26 1rjf h LYS 300 CO 0.05 1.08 -0.11 -0.09 -3.45 0.00 0.00 179.45 176.92 1rjf h ARG 301 N 0.63 0.75 0.00 1.90 2.43 -1.40 -2.89 114.38 115.80 1rjf h ARG 301 Ca 0.06 -0.25 -0.10 0.00 -0.81 0.00 0.00 59.98 58.88 1rjf h ARG 301 Cb 0.92 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 1rjf h ARG 301 CO 0.08 0.84 -0.47 -0.07 -1.51 0.00 0.00 179.97 178.85 1rjf h LEU 302 N 0.68 0.00 -1.08 3.80 3.38 -1.55 -2.97 115.31 117.58 1rjf h LEU 302 Ca 0.12 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 1rjf h LEU 302 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1rjf h LEU 302 CO 0.04 0.47 -0.43 0.03 0.09 0.00 0.00 178.44 178.63 1rjf h ARG 303 N 0.00 0.00 0.00 1.13 3.08 -1.39 -3.05 114.38 114.15 1rjf h ARG 303 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1rjf h ARG 303 Cb 1.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 1rjf h ARG 303 CO 0.06 0.43 -0.27 0.66 -1.07 0.00 0.00 179.97 179.78 1rjf h SER 304 N 0.00 0.00 0.19 7.04 4.64 -1.36 -3.35 113.55 120.70 1rjf h SER 304 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1rjf h SER 304 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1rjf h SER 304 CO 0.06 0.27 -0.09 -0.07 -0.87 0.00 0.00 176.83 176.13 1rjf h LEU 305 N 0.00 -0.21 -8.41 5.97 3.38 -1.54 -3.48 115.31 111.01 1rjf h LEU 305 Ca -0.00 -0.07 -0.20 0.00 0.09 0.00 0.00 57.88 57.70 1rjf h LEU 305 Cb 0.91 0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.57 1rjf h LEU 305 CO 0.04 0.28 -0.69 -1.10 0.09 0.00 0.00 178.44 177.05 1rjf s GLN 306 N -2.51 0.80 -0.56 1.13 -0.21 -1.23 -5.10 119.66 111.97 1rjf s GLN 306 Ca -0.05 -1.32 -0.26 0.00 0.02 0.00 0.00 55.36 53.75 1rjf s GLN 306 Cb 0.00 -0.12 0.04 0.00 1.00 0.00 0.00 33.01 33.93 1rjf s GLN 306 CO 0.17 -0.04 1.06 -0.06 -2.12 0.00 0.00 175.29 174.30 1rjf s PHE 307 N -3.69 2.71 -1.05 0.91 0.40 -1.26 -4.66 117.98 111.34 1rjf s PHE 307 Ca 0.11 0.21 -0.16 0.00 -0.60 0.00 0.00 56.93 56.49 1rjf s PHE 307 Cb 0.06 -4.28 0.16 0.00 0.51 0.00 0.00 43.02 39.47 1rjf s PHE 307 CO -0.06 -1.45 1.23 -1.17 0.70 0.00 0.00 175.22 174.47 1rjf s LEU 308 N 4.42 5.23 0.17 -0.37 2.96 -1.26 -4.85 118.68 124.98 1rjf s LEU 308 Ca 0.37 -2.55 0.01 0.00 -0.22 0.00 0.00 54.13 51.73 1rjf s LEU 308 Cb -0.10 -2.38 0.04 0.00 0.50 0.00 0.00 46.19 44.25 1rjf s LEU 308 CO 0.22 -0.86 1.41 0.44 -1.32 0.00 0.00 176.35 176.25 1rjf h ASP 309 N 7.97 0.35 -4.06 3.68 3.32 -2.01 -3.39 116.42 122.28 1rjf h ASP 309 Ca 0.22 -0.25 -0.70 0.00 0.02 0.00 0.00 57.03 56.32 1rjf h ASP 309 Cb 0.96 -0.10 -0.35 0.00 0.22 0.00 0.00 39.33 40.05 1rjf h ASP 309 CO 1.13 1.01 -0.38 -1.61 -1.72 0.00 0.00 179.24 177.68 1rjf s GLU 310 N -3.41 2.52 0.33 3.56 0.41 -1.26 -4.91 118.70 115.94 1rjf s GLU 310 Ca -0.04 -2.45 0.17 0.00 -0.41 0.00 0.00 54.97 52.24 1rjf s GLU 310 Cb 0.10 -3.73 0.44 0.00 -1.78 0.00 0.00 34.13 29.16 1rjf s GLU 310 CO 0.83 -1.16 1.62 1.25 -0.49 0.00 0.00 175.26 177.30 1rjf h LEU 311 N 7.16 0.00 -0.45 1.80 5.85 -2.00 -2.93 115.31 124.74 1rjf h LEU 311 Ca -0.03 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.52 1rjf h LEU 311 Cb 0.96 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1rjf h LEU 311 CO 0.71 0.44 -0.78 -0.08 -0.34 0.00 0.00 178.44 178.40 1rjf h GLU 312 N 0.00 0.06 0.00 1.25 4.57 -1.98 -2.25 114.58 116.24 1rjf h GLU 312 Ca -0.00 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.03 1rjf h GLU 312 Cb 1.10 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.69 1rjf h GLU 312 CO 0.06 0.80 -0.44 0.93 -1.18 0.00 0.00 179.01 179.17 1rjf h GLU 313 N 0.03 0.00 0.00 1.92 5.08 -1.96 -2.08 114.58 117.58 1rjf h GLU 313 Ca -0.02 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 1rjf h GLU 313 Cb 1.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.60 1rjf h GLU 313 CO 0.11 0.44 -0.62 1.25 -1.00 0.00 0.00 179.01 179.19 1rjf h LEU 314 N 0.00 0.00 -0.13 1.33 5.85 -1.34 -2.97 115.31 118.06 1rjf h LEU 314 Ca -0.00 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.48 1rjf h LEU 314 Cb 0.93 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.97 1rjf h LEU 314 CO 0.06 0.62 -0.91 0.50 -0.34 0.00 0.00 178.44 178.37 1rjf h LYS 315 N 0.00 0.64 -0.31 1.25 3.64 -1.14 -2.42 116.57 118.23 1rjf h LYS 315 Ca -0.01 -0.62 -0.13 0.00 -1.27 0.00 0.00 60.65 58.63 1rjf h LYS 315 Cb 1.23 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.19 1rjf h LYS 315 CO 0.08 1.23 -0.33 0.28 -2.27 0.00 0.00 179.45 178.44 1rjf h VAL 316 N 0.40 1.28 0.01 2.00 2.07 -1.43 -2.57 116.25 118.01 1rjf h VAL 316 Ca -0.09 -1.47 -0.11 0.00 0.82 0.00 0.00 66.70 65.85 1rjf h VAL 316 Cb 1.55 1.40 0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1rjf h VAL 316 CO 0.18 0.48 -0.45 -0.03 0.02 0.00 0.00 177.57 177.76 1rjf h MET 317 N 0.57 0.29 0.00 1.57 1.85 -1.59 -3.35 114.93 114.27 1rjf h MET 317 Ca 0.06 -0.32 0.00 0.00 -0.61 0.00 0.00 59.70 58.83 1rjf h MET 317 Cb 0.84 0.09 0.00 0.00 0.43 0.00 0.00 31.60 32.96 1rjf h MET 317 CO 0.07 1.03 -0.05 1.96 -0.40 0.00 0.00 176.91 179.53 1rjf h GLN 318 N -0.31 0.00 0.00 0.39 1.08 -1.47 -2.67 115.11 112.13 1rjf h GLN 318 Ca -0.06 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1rjf h GLN 318 Cb 1.19 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.62 1rjf h GLN 318 CO 0.09 0.00 -0.09 1.79 -0.95 0.00 0.00 178.83 179.67 1rjf h THR 319 N 0.00 0.19 -0.45 -0.54 1.35 -1.61 -2.59 112.91 109.26 1rjf h THR 319 Ca 0.00 -0.97 -0.19 0.00 -0.55 0.00 0.00 66.41 64.70 1rjf h THR 319 Cb 0.84 1.83 -0.11 0.00 -1.73 0.00 0.00 68.15 68.98 1rjf h THR 319 CO 0.00 0.09 0.24 1.41 -0.25 0.00 0.00 175.52 177.01 1rjf n HIS 320 N -3.16 1.45 -4.04 4.73 8.25 -1.00 -4.84 115.22 116.61 1rjf n HIS 320 Ca 0.02 -0.95 -0.08 0.00 -0.26 0.00 0.00 57.72 56.45 1rjf n HIS 320 Cb 0.45 -0.52 -0.10 0.00 1.12 0.00 0.00 29.99 30.94 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 -1.79 0.41 0.15 4.41 1.51 -1.11 -2.25 117.35 118.69 1rjf s TYR 321 Ca 0.29 -0.85 -0.04 0.00 -1.01 0.00 0.00 57.07 55.46 1rjf s TYR 321 Cb 0.24 -0.31 -0.03 0.00 -0.11 0.00 0.00 41.96 41.76 1rjf s TYR 321 CO 0.07 -0.32 0.15 0.96 -1.11 0.00 0.00 175.55 175.30 1rjf s ILE 322 N -3.03 0.07 -0.12 2.71 -5.25 -0.85 -2.39 121.20 112.34 1rjf s ILE 322 Ca -0.01 -1.74 -0.03 0.00 -0.99 0.00 0.00 60.65 57.88 1rjf s ILE 322 Cb 0.01 -2.04 0.05 0.00 2.95 0.00 0.00 42.46 43.43 1rjf s ILE 322 CO -0.07 -0.34 0.05 -0.22 -1.79 0.00 0.00 174.94 172.57 1rjf s LEU 323 N -3.04 0.59 -0.21 0.37 2.96 -0.98 -3.52 118.68 114.86 1rjf s LEU 323 Ca 0.24 -0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 53.73 1rjf s LEU 323 Cb 0.06 -0.37 -0.00 0.00 0.50 0.00 0.00 46.19 46.37 1rjf s LEU 323 CO 0.03 -0.28 -0.07 -0.32 -1.32 0.00 0.00 176.35 174.39 1rjf s MET 324 N 2.03 3.30 -0.13 1.98 -2.45 -1.02 -3.07 119.30 119.93 1rjf s MET 324 Ca 0.03 -0.66 -0.04 0.00 -1.25 0.00 0.00 55.69 53.76 1rjf s MET 324 Cb -0.14 -2.93 -0.04 0.00 1.25 0.00 0.00 34.83 32.97 1rjf s MET 324 CO -0.07 -0.20 0.03 0.15 1.05 0.00 0.00 175.02 175.98 1rjf s LYS 325 N 1.44 3.45 -0.30 4.11 1.02 -0.99 -2.04 119.74 126.44 1rjf s LYS 325 Ca 0.06 -0.37 -0.03 0.00 0.02 0.00 0.00 55.97 55.64 1rjf s LYS 325 Cb -0.14 -2.99 0.11 0.00 -0.52 0.00 0.00 37.83 34.30 1rjf s LYS 325 CO -0.05 0.51 0.18 0.00 -0.92 0.00 0.00 175.35 175.06 1rjf s ALA 326 N -0.31 0.40 -0.03 5.17 0.00 -1.02 -1.98 121.76 123.99 1rjf s ALA 326 Ca 0.07 -1.00 -0.13 0.00 0.00 0.00 0.00 51.96 50.91 1rjf s ALA 326 Cb -0.12 -1.51 -0.05 0.00 0.00 0.00 0.00 23.12 21.44 1rjf s ALA 326 CO 0.02 -1.72 0.34 -0.65 0.00 0.00 0.00 175.76 173.76 1rjf s GLN 327 N 2.05 3.80 0.00 0.00 -0.21 -0.86 -2.01 119.66 122.43 1rjf s GLN 327 Ca 0.10 0.28 -0.03 0.00 0.02 0.00 0.00 55.36 55.72 1rjf s GLN 327 Cb -0.16 -3.21 -0.01 0.00 1.00 0.00 0.00 33.01 30.64 1rjf s GLN 327 CO -0.32 0.71 0.06 1.67 -2.12 0.00 0.00 175.29 175.29 1rjf s TRP 328 N -1.08 0.09 -0.08 0.91 -2.14 -1.18 -3.29 118.94 112.17 1rjf s TRP 328 Ca 0.22 -0.20 0.03 0.00 2.66 0.00 0.00 56.10 58.81 1rjf s TRP 328 Cb -0.15 -0.08 0.01 0.00 -3.10 0.00 0.00 33.47 30.14 1rjf s TRP 328 CO 0.11 -0.19 -0.18 -1.58 -2.66 0.00 0.00 176.95 172.46 1rjf s HIS 329 N -1.05 1.95 -0.09 1.66 2.46 -1.26 -3.12 115.29 115.84 1rjf s HIS 329 Ca -0.11 -0.76 -0.01 0.00 0.47 0.00 0.00 55.06 54.64 1rjf s HIS 329 Cb -0.07 -1.35 0.03 0.00 -0.13 0.00 0.00 32.58 31.06 1rjf s HIS 329 CO 0.00 -0.34 -0.00 -1.58 -2.47 0.00 0.00 174.74 170.35 1rjf s HIS 330 N 0.51 0.80 -2.71 3.88 5.04 -1.04 -5.02 115.29 116.74 1rjf s HIS 330 Ca -0.16 -0.31 0.22 0.00 -1.54 0.00 0.00 55.06 53.27 1rjf s HIS 330 Cb -0.17 -0.88 0.17 0.00 0.04 0.00 0.00 32.58 31.75 1rjf s HIS 330 CO 0.06 -0.38 1.19 0.72 -2.34 0.00 0.00 174.74 173.99