#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjf h TYR 10 N 0.00 0.00 -0.19 -0.67 0.99 -1.99 -2.35 116.97 112.76 1rjf h TYR 10 Ca 0.00 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.58 1rjf h TYR 10 Cb 0.00 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.73 1rjf h TYR 10 CO 0.00 0.00 -0.48 0.22 -0.00 0.00 0.00 178.16 177.90 1rjf h ASP 11 N 0.00 0.75 -0.30 3.88 3.58 -1.99 -2.87 116.42 119.46 1rjf h ASP 11 Ca 0.00 -0.57 -0.09 0.00 0.42 0.00 0.00 57.03 56.79 1rjf h ASP 11 Cb 0.48 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 1rjf h ASP 11 CO 0.00 1.19 -0.11 0.00 -2.88 0.00 0.00 179.24 177.44 1rjf h ALA 12 N 0.58 1.05 -0.00 -0.78 0.00 -1.89 -2.46 119.26 115.76 1rjf h ALA 12 Ca -0.01 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 1rjf h ALA 12 Cb 1.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1rjf h ALA 12 CO 0.10 0.58 -0.79 1.25 0.00 0.00 0.00 179.25 180.39 1rjf h LEU 13 N 0.65 0.05 -1.02 0.00 5.85 -1.55 -2.87 115.31 116.43 1rjf h LEU 13 Ca 0.11 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 1rjf h LEU 13 Cb 0.56 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1rjf h LEU 13 CO 0.04 0.82 -0.45 0.28 -0.34 0.00 0.00 178.44 178.79 1rjf h SER 14 N 0.02 0.08 -0.16 1.25 0.02 -1.34 -2.68 113.55 110.76 1rjf h SER 14 Ca -0.01 -0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 60.75 1rjf h SER 14 Cb 1.40 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.92 1rjf h SER 14 CO 0.11 0.53 -0.49 0.00 -1.14 0.00 0.00 176.83 175.83 1rjf h LYS 16 N 0.26 0.76 0.00 0.00 1.63 -1.47 -2.37 116.57 115.38 1rjf h LYS 16 Ca -0.02 -0.49 -0.08 0.00 -0.85 0.00 0.00 60.65 59.22 1rjf h LYS 16 Cb 1.12 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.79 1rjf h LYS 16 CO 0.10 1.11 -0.36 -0.07 -3.45 0.00 0.00 179.45 176.79 1rjf h LEU 17 N 0.58 0.00 -0.29 5.20 3.38 -1.59 -2.46 115.31 120.12 1rjf h LEU 17 Ca 0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.79 1rjf h LEU 17 Cb 1.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1rjf h LEU 17 CO 0.12 0.36 -0.87 0.00 0.09 0.00 0.00 178.44 178.14 1rjf h ALA 18 N 1.64 0.56 -0.02 1.53 0.00 -1.43 -2.53 119.26 119.01 1rjf h ALA 18 Ca -0.00 -0.76 -0.19 0.00 0.00 0.00 0.00 54.91 53.96 1rjf h ALA 18 Cb 1.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1rjf h ALA 18 CO 0.05 1.00 -0.83 0.00 0.00 0.00 0.00 179.25 179.47 1rjf h ALA 19 N 1.08 0.55 0.04 0.00 0.00 -1.32 -3.10 119.26 116.51 1rjf h ALA 19 Ca -0.02 -0.68 -0.23 0.00 0.00 0.00 0.00 54.91 53.98 1rjf h ALA 19 Cb 1.51 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1rjf h ALA 19 CO 0.12 0.84 -1.01 0.82 0.00 0.00 0.00 179.25 180.02 1rjf h ILE 20 N 0.17 1.48 -0.07 0.00 2.04 -1.48 -0.56 117.51 119.09 1rjf h ILE 20 Ca -0.04 -2.74 -0.12 0.00 1.00 0.00 0.00 64.86 62.95 1rjf h ILE 20 Cb 1.43 2.62 -0.01 0.00 -0.74 0.00 0.00 36.82 40.11 1rjf h ILE 20 CO 0.13 0.80 -0.52 -1.28 0.00 0.00 0.00 178.15 177.29 1rjf h SER 21 N 0.13 0.20 0.33 1.72 0.87 -1.51 -3.17 113.55 112.11 1rjf h SER 21 Ca -0.08 -0.10 -0.33 0.00 -1.23 0.00 0.00 61.79 60.05 1rjf h SER 21 Cb 1.68 -0.06 0.02 0.00 -0.44 0.00 0.00 62.40 63.60 1rjf h SER 21 CO 0.16 0.68 -1.53 0.58 -0.53 0.00 0.00 176.83 176.19 1rjf h VAL 22 N 0.14 1.20 0.00 2.23 2.07 -1.60 -3.49 116.25 116.80 1rjf h VAL 22 Ca 0.00 -2.72 0.00 0.00 0.82 0.00 0.00 66.70 64.81 1rjf h VAL 22 Cb 0.96 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 33.65 1rjf h VAL 22 CO 0.08 0.84 0.00 0.61 0.02 0.00 0.00 177.57 179.11 1rjf n GLY 23 N 1.72 1.01 0.22 2.17 0.00 -0.95 -4.98 105.19 104.38 1rjf n GLY 23 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.19 -3.32 1.61 0.05 -1.40 -3.41 116.97 110.31 1rjf h TYR 24 Ca 0.00 0.05 -0.65 0.00 0.05 0.00 0.00 58.73 58.18 1rjf h TYR 24 Cb 0.00 0.17 -0.15 0.00 1.01 0.00 0.00 36.73 37.76 1rjf h TYR 24 CO 0.00 -0.21 -0.73 -0.51 -1.05 0.00 0.00 178.16 175.66 1rjf s LEU 25 N -10.74 3.00 0.34 3.88 1.43 -1.07 -4.13 118.68 111.39 1rjf s LEU 25 Ca -0.14 -0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 52.28 1rjf s LEU 25 Cb 0.18 -1.75 -0.10 0.00 0.03 0.00 0.00 46.19 44.55 1rjf s LEU 25 CO 0.73 0.14 0.86 -2.16 0.23 0.00 0.00 176.35 176.15 1rjf s PRO 26 N -2.49 4.29 -0.50 1.29 0.04 -1.26 -4.25 135.00 132.12 1rjf s PRO 26 Ca 0.23 1.04 -0.16 0.00 0.04 0.00 0.00 61.00 62.14 1rjf s PRO 26 Cb -0.10 -2.54 0.09 0.00 0.04 0.00 0.00 34.50 31.99 1rjf s PRO 26 CO 0.14 0.18 0.45 0.45 0.04 0.00 0.00 177.00 178.26 1rjf s SER 27 N -1.94 6.17 0.51 6.66 0.15 -1.26 -4.96 113.70 119.03 1rjf s SER 27 Ca 0.53 -1.43 0.33 0.00 0.70 0.00 0.00 55.95 56.08 1rjf s SER 27 Cb -0.13 -2.20 1.39 0.00 -1.71 0.00 0.00 66.02 63.36 1rjf s SER 27 CO 0.18 -0.74 1.97 0.77 1.20 0.00 0.00 173.24 176.63 1rjf h SER 28 N 8.82 0.00 0.09 5.45 4.64 -1.96 -2.29 113.55 128.31 1rjf h SER 28 Ca -0.29 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.03 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 0.94 0.00 -0.04 1.23 -0.87 0.00 0.00 176.83 178.08 1rjf h GLY 29 N 1.90 -0.13 1.37 -0.77 0.00 -1.93 -2.53 103.07 100.99 1rjf h GLY 29 Ca 0.00 0.05 -0.27 0.00 0.00 0.00 0.00 47.33 47.10 1rjf h GLY 29 CO 0.00 -0.05 -1.15 1.41 0.00 0.00 0.00 176.54 176.76 1rjf h LEU 30 N -0.93 0.73 0.00 3.11 3.38 -1.97 -3.16 115.31 116.47 1rjf h LEU 30 Ca -0.01 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1rjf h LEU 30 Cb 0.52 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1rjf h LEU 30 CO 0.02 1.47 -0.06 0.00 0.09 0.00 0.00 178.44 179.96 1rjf n GLN 31 N -3.75 0.01 -3.62 1.13 6.02 -0.86 -4.54 117.38 111.77 1rjf n GLN 31 Ca -0.11 0.01 -0.24 0.00 -0.01 0.00 0.00 57.00 56.65 1rjf n GLN 31 Cb 0.94 -1.51 0.07 0.00 1.02 0.00 0.00 30.24 30.77 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 -1.53 -7.55 -3.30 -1.09 1.74 -1.00 -4.98 116.66 98.95 1rjf n ARG 32 Ca 0.07 0.80 -0.36 0.00 -0.77 0.00 0.00 57.85 57.59 1rjf n ARG 32 Cb 0.34 -5.83 -0.06 0.00 -1.02 0.00 0.00 32.46 25.89 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 -7.20 4.36 0.00 0.55 1.43 -0.99 -5.03 118.68 111.80 1rjf s LEU 33 Ca 0.52 1.17 -0.04 0.00 -1.03 0.00 0.00 54.13 54.75 1rjf s LEU 33 Cb -0.24 -3.29 0.06 0.00 0.03 0.00 0.00 46.19 42.75 1rjf s LEU 33 CO 0.74 0.11 0.30 -1.54 0.23 0.00 0.00 176.35 176.19 1rjf n SER 34 N 0.89 -0.26 -0.05 2.29 3.41 -1.26 -4.79 113.62 113.84 1rjf n SER 34 Ca -0.05 -1.01 -0.16 0.00 -0.26 0.00 0.00 58.87 57.39 1rjf n SER 34 Cb 0.52 -0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.32 1.29 -0.15 -3.33 2.07 -1.99 -1.89 116.25 110.94 1rjf h VAL 35 Ca -0.10 -1.80 -0.22 0.00 0.82 0.00 0.00 66.70 65.40 1rjf h VAL 35 Cb 0.28 1.83 0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1rjf h VAL 35 CO 0.07 0.57 -0.79 0.44 0.02 0.00 0.00 177.57 177.88 1rjf h ASP 36 N 0.52 0.93 1.22 0.57 5.19 -2.00 -3.02 116.42 119.84 1rjf h ASP 36 Ca -0.01 -0.61 0.00 0.00 -0.62 0.00 0.00 57.03 55.78 1rjf h ASP 36 Cb 1.21 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 40.45 1rjf h ASP 36 CO 0.13 1.41 0.00 0.18 -3.12 0.00 0.00 179.24 177.84 1rjf n LEU 37 N -3.93 0.64 0.14 1.55 4.77 -1.23 -1.24 117.00 117.70 1rjf n LEU 37 Ca -0.07 0.58 -0.23 0.00 -0.03 0.00 0.00 56.01 56.25 1rjf n LEU 37 Cb 0.75 -0.40 -0.15 0.00 -2.33 0.00 0.00 43.42 41.29 1rjf n LEU 37 CO 0.53 -0.23 -0.20 0.28 -1.33 0.00 0.00 177.39 176.44 1rjf h SER 38 N 0.00 0.80 -0.43 -1.43 0.02 -1.35 -2.43 113.55 108.72 1rjf h SER 38 Ca 0.00 -0.84 -0.11 0.00 -0.84 0.00 0.00 61.79 60.00 1rjf h SER 38 Cb 0.61 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1rjf h SER 38 CO 0.00 1.66 -0.14 0.50 -1.14 0.00 0.00 176.83 177.71 1rjf h LYS 39 N 0.15 0.91 0.00 3.45 3.64 -1.39 -3.16 116.57 120.17 1rjf h LYS 39 Ca -0.24 -0.34 -0.07 0.00 -1.27 0.00 0.00 60.65 58.73 1rjf h LYS 39 Cb 2.13 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.88 1rjf h LYS 39 CO 0.27 0.99 -0.35 0.87 -2.27 0.00 0.00 179.45 178.96 1rjf h LYS 40 N 0.81 0.00 -0.64 1.90 1.79 -1.25 -2.21 116.57 116.97 1rjf h LYS 40 Ca 0.12 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.52 1rjf h LYS 40 Cb 0.67 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.30 1rjf h LYS 40 CO 0.05 0.35 0.10 -0.92 -1.08 0.00 0.00 179.45 177.94 1rjf h TYR 41 N 0.00 1.12 -0.03 -1.35 3.20 -1.40 -1.00 116.97 117.50 1rjf h TYR 41 Ca -0.00 -0.15 -0.21 0.00 3.14 0.00 0.00 58.73 61.50 1rjf h TYR 41 Cb 1.04 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.00 1rjf h TYR 41 CO 0.00 0.94 -0.86 1.15 -1.64 0.00 0.00 178.16 177.75 1rjf h THR 42 N 0.99 1.39 0.00 1.81 2.02 -1.53 -3.22 112.91 114.36 1rjf h THR 42 Ca 0.20 -2.33 -0.08 0.00 0.77 0.00 0.00 66.41 64.97 1rjf h THR 42 Cb 0.43 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 1rjf h THR 42 CO 0.01 0.70 -0.37 -0.33 0.37 0.00 0.00 175.52 175.90 1rjf h GLU 43 N 0.26 0.00 0.25 6.66 5.08 -1.25 -2.58 114.58 123.00 1rjf h GLU 43 Ca -0.06 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.96 1rjf h GLU 43 Cb 1.48 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.76 1rjf h GLU 43 CO 0.15 0.37 -1.48 -1.49 -1.00 0.00 0.00 179.01 175.56 1rjf h TRP 44 N 0.00 0.94 -0.01 4.33 6.55 -1.29 -2.90 115.95 123.58 1rjf h TRP 44 Ca -0.00 -0.69 -0.19 0.00 0.95 0.00 0.00 58.89 58.95 1rjf h TRP 44 Cb 1.26 -0.04 -0.01 0.00 -0.86 0.00 0.00 29.16 29.51 1rjf h TRP 44 CO 0.00 1.55 -0.84 0.45 -1.05 0.00 0.00 178.44 178.55 1rjf h HIS 45 N 0.14 0.33 -0.29 0.49 3.86 -1.62 -2.42 115.15 115.64 1rjf h HIS 45 Ca -0.25 -0.17 -0.14 0.00 -1.16 0.00 0.00 60.37 58.64 1rjf h HIS 45 Cb 2.16 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 30.58 1rjf h HIS 45 CO 0.12 0.97 -0.39 0.00 0.86 0.00 0.00 177.93 179.49 1rjf h ARG 46 N 0.13 0.70 0.00 2.45 3.08 -1.57 -2.74 114.38 116.44 1rjf h ARG 46 Ca -0.04 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.65 1rjf h ARG 46 Cb 1.46 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.51 1rjf h ARG 46 CO 0.13 0.97 0.00 1.03 -1.07 0.00 0.00 179.97 181.03 1rjf h SER 47 N 0.57 0.00 0.88 7.04 0.87 -1.51 -2.78 113.55 118.62 1rjf h SER 47 Ca 0.05 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.45 1rjf h SER 47 Cb 0.93 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.86 1rjf h SER 47 CO 0.08 0.00 -0.77 0.22 -0.53 0.00 0.00 176.83 175.84 1rjf h TYR 48 N 0.00 0.00 0.19 2.24 3.20 -1.14 -2.64 116.97 118.82 1rjf h TYR 48 Ca 0.00 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.55 1rjf h TYR 48 Cb 0.67 0.00 0.03 0.00 1.54 0.00 0.00 36.73 38.98 1rjf h TYR 48 CO 0.00 0.77 -1.37 1.25 -1.64 0.00 0.00 178.16 177.17 1rjf h LEU 49 N 0.00 0.87 -0.54 2.82 5.85 -1.33 -2.54 115.31 120.45 1rjf h LEU 49 Ca -0.01 -0.87 -0.15 0.00 0.84 0.00 0.00 57.88 57.70 1rjf h LEU 49 Cb 1.41 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1rjf h LEU 49 CO 0.10 1.67 -0.42 0.40 -0.34 0.00 0.00 178.44 179.85 1rjf h ILE 50 N 0.22 1.29 0.00 4.05 2.04 -1.59 -2.72 117.51 120.80 1rjf h ILE 50 Ca -0.22 -1.60 -0.15 0.00 1.00 0.00 0.00 64.86 63.89 1rjf h ILE 50 Cb 2.05 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 39.62 1rjf h ILE 50 CO 0.26 0.52 -0.72 0.74 0.00 0.00 0.00 178.15 178.94 1rjf h THR 51 N 0.57 1.48 0.00 -0.27 2.02 -1.58 -2.99 112.91 112.14 1rjf h THR 51 Ca 0.04 -2.50 -0.06 0.00 0.77 0.00 0.00 66.41 64.66 1rjf h THR 51 Cb 0.96 2.36 -0.01 0.00 -1.74 0.00 0.00 68.15 69.73 1rjf h THR 51 CO 0.09 0.71 -0.29 0.25 0.37 0.00 0.00 175.52 176.65 1rjf h LEU 52 N 0.00 0.00 -0.46 2.58 5.85 -1.32 -2.71 115.31 119.25 1rjf h LEU 52 Ca -0.01 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 1rjf h LEU 52 Cb 1.30 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 1rjf h LEU 52 CO 0.09 0.29 -0.38 0.50 -0.34 0.00 0.00 178.44 178.60 1rjf h LYS 53 N 0.00 0.87 -0.25 1.25 3.64 -1.34 -1.34 116.57 119.40 1rjf h LYS 53 Ca -0.00 -0.45 -0.06 0.00 -1.27 0.00 0.00 60.65 58.87 1rjf h LYS 53 Cb 0.55 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1rjf h LYS 53 CO 0.04 1.09 -0.11 -0.22 -2.27 0.00 0.00 179.45 177.98 1rjf h LYS 54 N 0.71 0.41 -0.01 1.90 3.64 -1.45 -3.13 116.57 118.65 1rjf h LYS 54 Ca 0.06 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1rjf h LYS 54 Cb 0.95 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1rjf h LYS 54 CO 0.09 0.52 -0.65 1.19 -2.27 0.00 0.00 179.45 178.33 1rjf n PHE 55 N -4.24 0.00 -3.50 1.91 3.72 -1.07 -4.92 117.46 109.36 1rjf n PHE 55 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1rjf n PHE 55 Cb 0.29 -0.05 -0.05 0.00 -0.94 0.00 0.00 39.48 38.73 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 -2.75 -0.65 0.05 4.37 0.15 -0.51 -5.03 113.70 109.33 1rjf s SER 56 Ca 0.14 0.92 0.01 0.00 0.70 0.00 0.00 55.95 57.72 1rjf s SER 56 Cb 0.17 1.63 -0.26 0.00 -1.71 0.00 0.00 66.02 65.85 1rjf s SER 56 CO 0.70 -0.13 1.03 -0.09 1.20 0.00 0.00 173.24 175.95 1rjf h ARG 57 N 7.22 0.17 -0.14 5.44 2.43 -1.82 -3.11 114.38 124.56 1rjf h ARG 57 Ca -0.19 -0.29 -0.18 0.00 -0.81 0.00 0.00 59.98 58.50 1rjf h ARG 57 Cb 1.13 0.11 0.01 0.00 -0.42 0.00 0.00 29.97 30.80 1rjf h ARG 57 CO 0.11 1.06 -0.63 -0.09 -1.51 0.00 0.00 179.97 178.91 1rjf h ARG 58 N 0.05 0.68 -0.14 0.20 2.43 -1.94 -2.33 114.38 113.33 1rjf h ARG 58 Ca -0.15 -0.54 -0.13 0.00 -0.81 0.00 0.00 59.98 58.34 1rjf h ARG 58 Cb 1.94 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 31.59 1rjf h ARG 58 CO 0.16 1.16 -0.49 0.00 -1.51 0.00 0.00 179.97 179.29 1rjf h ALA 59 N 0.53 0.90 0.00 2.80 0.00 -1.91 -2.74 119.26 118.84 1rjf h ALA 59 Ca -0.04 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 1rjf h ALA 59 Cb 1.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1rjf h ALA 59 CO 0.13 0.66 -0.55 0.35 0.00 0.00 0.00 179.25 179.84 1rjf h PHE 60 N 0.29 0.00 -0.15 0.00 3.57 -1.59 -2.82 116.94 116.24 1rjf h PHE 60 Ca 0.01 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.34 1rjf h PHE 60 Cb 0.97 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.70 1rjf h PHE 60 CO 0.03 0.55 -0.61 0.78 -2.23 0.00 0.00 178.31 176.82 1rjf h GLY 61 N 1.96 0.57 1.76 2.40 0.00 -1.15 -1.41 103.07 107.20 1rjf h GLY 61 Ca -0.01 -0.71 -0.24 0.00 0.00 0.00 0.00 47.33 46.37 1rjf h GLY 61 CO 0.07 0.63 -1.11 0.50 0.00 0.00 0.00 176.54 176.64 1rjf h LYS 62 N 0.39 0.19 0.02 4.80 1.57 -1.54 -3.09 116.57 118.91 1rjf h LYS 62 Ca -0.01 -0.29 -0.22 0.00 -1.87 0.00 0.00 60.65 58.26 1rjf h LYS 62 Cb 1.17 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 1rjf h LYS 62 CO 0.11 1.11 -0.96 0.28 -0.57 0.00 0.00 179.45 179.43 1rjf h VAL 63 N 0.06 1.48 -0.08 0.50 2.07 -1.51 -2.92 116.25 115.85 1rjf h VAL 63 Ca -0.08 -2.68 -0.09 0.00 0.82 0.00 0.00 66.70 64.66 1rjf h VAL 63 Cb 1.83 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 34.15 1rjf h VAL 63 CO 0.17 0.79 -0.30 -0.78 0.02 0.00 0.00 177.57 177.47 1rjf h ASP 64 N 0.13 0.40 1.20 0.57 3.58 -1.35 -2.49 116.42 118.46 1rjf h ASP 64 Ca -0.06 -0.63 -0.07 0.00 0.42 0.00 0.00 57.03 56.69 1rjf h ASP 64 Cb 1.61 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.53 1rjf h ASP 64 CO 0.15 0.96 -0.31 0.11 -2.88 0.00 0.00 179.24 177.27 1rjf h LYS 65 N -0.14 0.00 0.11 0.28 1.57 -1.66 -2.76 116.57 113.96 1rjf h LYS 65 Ca -0.02 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.49 1rjf h LYS 65 Cb 0.94 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.26 1rjf h LYS 65 CO 0.06 0.31 -1.19 0.00 -0.57 0.00 0.00 179.45 178.06 1rjf h ALA 66 N 1.69 0.12 -0.31 3.86 0.00 -1.57 -2.70 119.26 120.35 1rjf h ALA 66 Ca -0.00 -0.81 0.02 0.00 0.00 0.00 0.00 54.91 54.12 1rjf h ALA 66 Cb 1.00 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1rjf h ALA 66 CO 0.04 0.84 0.15 0.52 0.00 0.00 0.00 179.25 180.79 1rjf h MET 67 N 0.17 0.30 0.00 0.00 2.86 -1.36 -2.81 114.93 114.08 1rjf h MET 67 Ca -0.15 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1rjf h MET 67 Cb 1.88 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.47 1rjf h MET 67 CO 0.21 0.20 0.00 0.00 1.06 0.00 0.00 176.91 178.38 1rjf h ARG 68 N 0.31 0.00 -0.44 1.72 3.08 -1.56 -3.03 114.38 114.45 1rjf h ARG 68 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1rjf h ARG 68 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1rjf h ARG 68 CO -0.09 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.68 1rjf n SER 69 N -2.32 4.85 -4.74 7.04 3.41 -1.02 -4.99 113.62 115.85 1rjf n SER 69 Ca 0.05 -2.92 -0.41 0.00 -0.26 0.00 0.00 58.87 55.34 1rjf n SER 69 Cb 0.42 -0.61 -0.05 0.00 -0.26 0.00 0.00 64.21 63.71 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 -1.28 7.53 0.25 4.04 0.15 -1.07 -5.01 113.70 118.30 1rjf s SER 70 Ca 0.49 1.88 0.05 0.00 0.70 0.00 0.00 55.95 59.06 1rjf s SER 70 Cb 0.37 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 62.06 1rjf s SER 70 CO 0.14 0.00 0.37 -0.36 1.20 0.00 0.00 173.24 174.59 1rjf s PHE 71 N -0.45 3.45 0.29 3.44 0.08 -1.26 -5.01 117.98 118.51 1rjf s PHE 71 Ca 0.45 -0.01 0.02 0.00 0.12 0.00 0.00 56.93 57.51 1rjf s PHE 71 Cb -0.25 -1.60 0.56 0.00 -0.57 0.00 0.00 43.02 41.17 1rjf s PHE 71 CO 0.31 0.41 1.85 -1.35 -0.10 0.00 0.00 175.22 176.35 1rjf h PRO 72 N 1.14 0.97 -0.76 0.24 0.11 -1.97 -2.47 132.00 129.26 1rjf h PRO 72 Ca -0.52 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.49 1rjf h PRO 72 Cb 1.23 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 1rjf h PRO 72 CO 0.61 0.64 0.30 0.28 -0.21 0.00 0.00 178.00 179.62 1rjf h VAL 73 N 1.00 1.26 0.00 3.15 2.07 -1.94 -2.38 116.25 119.40 1rjf h VAL 73 Ca 0.48 -0.81 -0.09 0.00 0.82 0.00 0.00 66.70 67.10 1rjf h VAL 73 Cb 0.44 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1rjf h VAL 73 CO -0.24 0.33 -0.41 0.24 0.02 0.00 0.00 177.57 177.52 1rjf h MET 74 N 1.10 0.00 0.00 1.57 2.86 -1.88 -2.84 114.93 115.74 1rjf h MET 74 Ca 0.25 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.80 1rjf h MET 74 Cb 0.22 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1rjf h MET 74 CO -0.02 0.41 -0.43 -0.91 1.06 0.00 0.00 176.91 177.02 1rjf h ASN 75 N 0.00 0.00 0.77 1.22 2.35 -1.11 -2.80 115.58 116.01 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 0.81 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.16 1rjf h ASN 75 CO 0.05 0.43 -0.75 1.88 -1.65 0.00 0.00 177.43 177.39 1rjf h TYR 76 N 0.00 0.00 0.00 1.19 -1.99 -1.22 -2.74 116.97 112.21 1rjf h TYR 76 Ca -0.00 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.58 1rjf h TYR 76 Cb 1.13 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.84 1rjf h TYR 76 CO 0.00 0.75 -0.68 0.78 -0.00 0.00 0.00 178.16 179.01 1rjf h GLY 77 N 2.28 0.00 1.79 3.88 0.00 -1.39 -2.74 103.07 106.89 1rjf h GLY 77 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.10 1rjf h GLY 77 CO 0.10 0.00 -0.99 -0.84 0.00 0.00 0.00 176.54 174.80 1rjf h THR 78 N 0.00 1.54 -0.21 4.70 2.02 -1.50 -2.72 112.91 116.74 1rjf h THR 78 Ca -0.01 -2.89 -0.04 0.00 0.77 0.00 0.00 66.41 64.24 1rjf h THR 78 Cb 1.21 2.66 -0.01 0.00 -1.74 0.00 0.00 68.15 70.28 1rjf h THR 78 CO 0.09 0.84 -0.03 0.22 0.37 0.00 0.00 175.52 177.00 1rjf h TYR 79 N 0.08 0.44 -0.03 3.16 3.20 -1.46 -2.20 116.97 120.15 1rjf h TYR 79 Ca -0.06 -0.09 -0.11 0.00 3.14 0.00 0.00 58.73 61.61 1rjf h TYR 79 Cb 1.68 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.82 1rjf h TYR 79 CO 0.03 0.62 -0.48 -0.07 -1.64 0.00 0.00 178.16 176.63 1rjf h LEU 80 N 0.13 0.08 -0.67 2.82 3.38 -1.58 -2.16 115.31 117.31 1rjf h LEU 80 Ca 0.06 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1rjf h LEU 80 Cb 0.47 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1rjf h LEU 80 CO 0.02 0.55 -0.62 -0.09 0.09 0.00 0.00 178.44 178.38 1rjf h ARG 81 N 0.06 0.15 0.03 1.13 2.43 -1.43 -2.31 114.38 114.44 1rjf h ARG 81 Ca 0.00 -0.11 -0.19 0.00 -0.81 0.00 0.00 59.98 58.88 1rjf h ARG 81 Cb 0.87 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 1rjf h ARG 81 CO 0.07 0.73 -1.00 1.15 -1.51 0.00 0.00 179.97 179.40 1rjf h THR 82 N 0.11 1.16 0.00 0.20 2.02 -1.27 -3.24 112.91 111.89 1rjf h THR 82 Ca -0.01 -2.28 0.00 0.00 0.77 0.00 0.00 66.41 64.89 1rjf h THR 82 Cb 1.13 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 70.17 1rjf h THR 82 CO 0.09 0.49 0.00 1.33 0.37 0.00 0.00 175.52 177.80 1rjf n VAL 83 N -4.34 0.66 -0.02 3.16 0.24 -0.82 -1.80 118.33 115.41 1rjf n VAL 83 Ca -0.25 -0.18 -0.16 0.00 -2.04 0.00 0.00 64.34 61.71 1rjf n VAL 83 Cb 0.69 -0.71 -0.12 0.00 -1.47 0.00 0.00 33.84 32.22 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 4.02 0.21 1.59 7.63 0.00 -1.56 -2.37 103.07 112.59 1rjf h GLY 84 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 1rjf h GLY 84 CO 0.00 0.37 -0.30 -2.22 0.00 0.00 0.00 176.54 174.39 1rjf h ILE 85 N -0.52 1.28 0.00 2.60 2.04 -1.57 -3.11 117.51 118.22 1rjf h ILE 85 Ca -0.05 -1.36 -0.15 0.00 1.00 0.00 0.00 64.86 64.31 1rjf h ILE 85 Cb 1.16 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 1rjf h ILE 85 CO 0.07 0.43 -0.70 0.44 0.00 0.00 0.00 178.15 178.38 1rjf h ASP 86 N 0.40 0.00 0.20 1.72 3.32 -1.44 -2.55 116.42 118.08 1rjf h ASP 86 Ca 0.05 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.95 1rjf h ASP 86 Cb 0.73 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 1rjf h ASP 86 CO 0.06 0.70 -0.60 0.00 -1.72 0.00 0.00 179.24 177.68 1rjf h ALA 87 N 1.30 0.75 -0.02 3.45 0.00 -1.38 -1.94 119.26 121.42 1rjf h ALA 87 Ca -0.01 -0.54 -0.19 0.00 0.00 0.00 0.00 54.91 54.17 1rjf h ALA 87 Cb 1.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1rjf h ALA 87 CO 0.09 0.71 -0.82 0.00 0.00 0.00 0.00 179.25 179.23 1rjf h ALA 88 N 1.06 0.55 -0.05 0.00 0.00 -1.51 -3.10 119.26 116.21 1rjf h ALA 88 Ca -0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 54.21 1rjf h ALA 88 Cb 1.13 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1rjf h ALA 88 CO 0.10 0.84 -0.05 0.82 0.00 0.00 0.00 179.25 180.96 1rjf h ILE 89 N 0.17 1.38 0.00 0.00 2.04 -1.40 -3.25 117.51 116.45 1rjf h ILE 89 Ca -0.04 -1.22 -0.07 0.00 1.00 0.00 0.00 64.86 64.53 1rjf h ILE 89 Cb 1.43 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 39.59 1rjf h ILE 89 CO 0.13 0.33 -0.31 -0.07 0.00 0.00 0.00 178.15 178.23 1rjf h LEU 90 N -0.34 0.00 -0.56 1.44 3.38 -1.44 -1.77 115.31 116.02 1rjf h LEU 90 Ca 0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1rjf h LEU 90 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1rjf h LEU 90 CO 0.01 0.31 -0.49 -0.08 0.09 0.00 0.00 178.44 178.29 1rjf h GLU 91 N 0.00 0.59 0.01 1.13 4.81 -1.64 -2.78 114.58 116.70 1rjf h GLU 91 Ca -0.00 -0.34 -0.19 0.00 -0.13 0.00 0.00 59.36 58.69 1rjf h GLU 91 Cb 0.80 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 1rjf h GLU 91 CO 0.04 0.95 -0.87 0.35 -0.73 0.00 0.00 179.01 178.75 1rjf h PHE 92 N 0.47 0.17 0.00 0.92 3.57 -1.48 -3.14 116.94 117.45 1rjf h PHE 92 Ca 0.02 -0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.34 1rjf h PHE 92 Cb 1.02 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 1rjf h PHE 92 CO 0.04 0.92 -0.44 -0.07 -2.23 0.00 0.00 178.31 176.54 1rjf h LEU 93 N 0.06 0.00 0.12 0.59 3.38 -1.36 -2.25 115.31 115.85 1rjf h LEU 93 Ca -0.03 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.68 1rjf h LEU 93 Cb 1.51 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.29 1rjf h LEU 93 CO 0.12 0.39 -1.09 0.58 0.09 0.00 0.00 178.44 178.54 1rjf h VAL 94 N 0.00 1.35 0.00 1.22 2.07 -1.57 -3.29 116.25 116.03 1rjf h VAL 94 Ca -0.01 -2.44 -0.04 0.00 0.82 0.00 0.00 66.70 65.03 1rjf h VAL 94 Cb 1.30 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 33.89 1rjf h VAL 94 CO 0.05 0.73 -0.21 0.00 0.02 0.00 0.00 177.57 178.16 1rjf h ALA 95 N 0.23 0.97 -3.37 1.67 0.00 -1.60 -3.41 119.26 113.75 1rjf h ALA 95 Ca -0.17 -0.19 -0.54 0.00 0.00 0.00 0.00 54.91 54.01 1rjf h ALA 95 Cb 1.80 -0.03 -0.39 0.00 0.00 0.00 0.00 17.79 19.17 1rjf h ALA 95 CO 0.21 0.26 -0.77 -0.80 0.00 0.00 0.00 179.25 178.15 1rjf s ASN 96 N -6.17 3.07 0.05 0.00 0.01 -0.85 -5.03 114.94 106.03 1rjf s ASN 96 Ca 0.02 -0.86 -0.16 0.00 -0.71 0.00 0.00 52.86 51.16 1rjf s ASN 96 Cb 0.09 -0.77 -0.25 0.00 0.41 0.00 0.00 41.25 40.72 1rjf s ASN 96 CO 0.64 -0.27 1.14 1.05 -1.51 0.00 0.00 177.10 178.15 1rjf h GLU 97 N 8.16 0.62 -4.82 -0.60 4.11 -1.81 -3.40 114.58 116.84 1rjf h GLU 97 Ca -0.18 -0.73 -0.69 0.00 0.07 0.00 0.00 59.36 57.83 1rjf h GLU 97 Cb 1.11 0.22 -0.19 0.00 0.50 0.00 0.00 28.75 30.39 1rjf h GLU 97 CO 0.36 1.31 0.34 0.21 0.07 0.00 0.00 179.01 181.30 1rjf s LYS 98 N -3.16 3.22 0.11 1.06 2.20 -1.26 -4.27 119.74 117.63 1rjf s LYS 98 Ca -0.10 -1.43 0.04 0.00 -0.36 0.00 0.00 55.97 54.12 1rjf s LYS 98 Cb 0.06 -4.41 -0.04 0.00 -1.51 0.00 0.00 37.83 31.93 1rjf s LYS 98 CO 0.91 -1.62 -0.10 0.08 -0.36 0.00 0.00 175.35 174.25 1rjf s VAL 99 N 2.71 1.00 -0.08 4.02 1.01 -1.21 -4.18 120.40 123.66 1rjf s VAL 99 Ca 0.18 -1.71 0.01 0.00 0.00 0.00 0.00 61.98 60.45 1rjf s VAL 99 Cb -0.18 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.77 1rjf s VAL 99 CO 0.02 -0.58 -0.08 0.00 0.00 0.00 0.00 175.10 174.46 1rjf s GLN 100 N -2.95 1.40 0.01 2.72 -2.07 -0.77 -1.85 119.66 116.16 1rjf s GLN 100 Ca 0.08 -0.25 -0.06 0.00 -1.82 0.00 0.00 55.36 53.30 1rjf s GLN 100 Cb -0.02 -1.37 -0.05 0.00 -1.09 0.00 0.00 33.01 30.48 1rjf s GLN 100 CO 0.00 -0.15 0.27 0.08 -1.32 0.00 0.00 175.29 174.17 1rjf s VAL 101 N 1.29 5.31 -0.41 3.63 1.01 -0.96 -2.48 120.40 127.79 1rjf s VAL 101 Ca -0.03 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.12 1rjf s VAL 101 Cb -0.14 -3.57 0.13 0.00 0.00 0.00 0.00 36.38 32.80 1rjf s VAL 101 CO -0.03 0.36 0.21 -0.69 0.00 0.00 0.00 175.10 174.95 1rjf s VAL 102 N -1.30 1.29 -1.06 2.92 1.01 -0.36 -1.37 120.40 121.52 1rjf s VAL 102 Ca 0.28 -2.31 -0.22 0.00 0.00 0.00 0.00 61.98 59.72 1rjf s VAL 102 Cb -0.13 -1.92 0.05 0.00 0.00 0.00 0.00 36.38 34.38 1rjf s VAL 102 CO 0.16 -0.85 1.50 0.21 0.00 0.00 0.00 175.10 176.12 1rjf s ASN 103 N 0.62 6.53 0.11 3.32 3.84 -0.84 -2.55 114.94 125.97 1rjf s ASN 103 Ca 0.16 -1.59 -0.31 0.00 0.21 0.00 0.00 52.86 51.33 1rjf s ASN 103 Cb -0.23 -2.57 -0.08 0.00 -0.55 0.00 0.00 41.25 37.82 1rjf s ASN 103 CO -0.04 -1.48 1.41 -0.76 -2.79 0.00 0.00 177.10 173.45 1rjf s LEU 104 N 4.93 4.36 -1.04 3.21 1.43 0.13 -2.58 118.68 129.14 1rjf s LEU 104 Ca 0.47 2.33 -0.03 0.00 -1.03 0.00 0.00 54.13 55.88 1rjf s LEU 104 Cb 0.01 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 1rjf s LEU 104 CO -0.07 -0.68 0.89 0.61 0.23 0.00 0.00 176.35 177.33 1rjf n GLY 105 N 3.55 -0.69 0.11 -3.19 0.00 -0.54 -3.93 105.19 100.50 1rjf n GLY 105 Ca 0.12 0.31 -0.12 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.05 2.57 2.03 0.00 0.00 -1.26 -3.02 105.19 105.47 1rjf n GLY 107 Ca -0.06 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.45 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 7.66 3.92 -4.71 1.61 7.64 -1.26 -4.93 113.62 123.55 1rjf n SER 108 Ca 0.00 -3.67 -0.42 0.00 1.01 0.00 0.00 58.87 55.79 1rjf n SER 108 Cb 0.00 -0.81 -0.03 0.00 -1.01 0.00 0.00 64.21 62.36 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 -1.64 7.07 -0.22 6.43 2.15 -1.17 -4.94 116.67 124.36 1rjf s ASP 109 Ca 0.55 1.97 0.10 0.00 0.43 0.00 0.00 52.55 55.61 1rjf s ASP 109 Cb 0.47 -2.57 0.43 0.00 -0.30 0.00 0.00 42.92 40.94 1rjf s ASP 109 CO 0.07 -0.49 1.21 0.18 -0.17 0.00 0.00 175.17 175.98 1rjf n LEU 110 N 4.21 3.05 0.08 -1.34 4.77 -1.26 -4.69 117.00 121.82 1rjf n LEU 110 Ca 0.09 -4.03 0.13 0.00 -0.03 0.00 0.00 56.01 52.17 1rjf n LEU 110 Cb 0.46 -0.50 0.46 0.00 -2.33 0.00 0.00 43.42 41.52 1rjf n LEU 110 CO 0.55 1.52 0.90 -2.11 -1.33 0.00 0.00 177.39 176.92 1rjf n ARG 111 N -1.04 0.20 0.26 3.23 1.85 -1.26 -3.19 116.66 116.70 1rjf n ARG 111 Ca 0.23 0.17 0.16 0.00 -1.00 0.00 0.00 57.85 57.40 1rjf n ARG 111 Cb 0.74 -1.73 0.56 0.00 -1.05 0.00 0.00 32.46 30.97 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 0.27 2.89 -0.00 -1.99 -2.97 114.93 113.14 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 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.27 1rjf h MET 112 CO 0.00 0.02 -0.13 -0.07 -0.00 0.00 0.00 176.91 176.73 1rjf h LEU 113 N 0.00 -0.31 -0.88 -0.10 3.38 -1.93 -2.40 115.31 113.07 1rjf h LEU 113 Ca -0.00 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 1rjf h LEU 113 Cb 0.64 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1rjf h LEU 113 CO 0.00 0.11 -0.55 1.55 0.09 0.00 0.00 178.44 179.65 1rjf h PRO 114 N -0.81 0.03 -0.10 1.13 0.13 -1.77 -3.19 132.00 127.42 1rjf h PRO 114 Ca -0.04 -0.02 -0.21 0.00 -0.87 0.00 0.00 66.00 64.86 1rjf h PRO 114 Cb 0.51 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.65 1rjf h PRO 114 CO 0.06 0.57 -0.79 -0.07 -0.23 0.00 0.00 178.00 177.54 1rjf h LEU 115 N 0.02 0.75 -0.69 1.56 3.38 -1.59 -1.63 115.31 117.11 1rjf h LEU 115 Ca -0.00 -0.51 -0.11 0.00 0.09 0.00 0.00 57.88 57.35 1rjf h LEU 115 Cb 0.98 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1rjf h LEU 115 CO 0.07 1.29 -0.14 -0.07 0.09 0.00 0.00 178.44 179.67 1rjf h LEU 116 N 0.41 0.86 -0.41 1.67 3.38 -1.53 -2.30 115.31 117.40 1rjf h LEU 116 Ca -0.05 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 1rjf h LEU 116 Cb 1.41 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1rjf h LEU 116 CO 0.15 1.01 0.12 -0.61 0.09 0.00 0.00 178.44 179.20 1rjf h GLN 117 N 0.77 0.64 0.00 1.13 5.75 -1.53 -3.26 115.11 118.61 1rjf h GLN 117 Ca 0.12 -0.14 -0.13 0.00 -0.15 0.00 0.00 58.65 58.35 1rjf h GLN 117 Cb 0.66 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.10 1rjf h GLN 117 CO 0.05 0.64 -0.61 0.52 -2.65 0.00 0.00 178.83 176.78 1rjf h MET 118 N 0.52 0.00 -4.53 1.69 2.86 -1.20 -3.40 114.93 110.87 1rjf h MET 118 Ca 0.13 0.00 -0.65 0.00 -2.06 0.00 0.00 59.70 57.12 1rjf h MET 118 Cb 0.27 0.00 -0.40 0.00 0.06 0.00 0.00 31.60 31.54 1rjf h MET 118 CO -0.00 0.61 -0.74 -0.06 1.06 0.00 0.00 176.91 177.78 1rjf s PHE 119 N -3.34 3.35 0.43 -0.22 0.08 -0.87 -5.01 117.98 112.39 1rjf s PHE 119 Ca 0.00 -2.69 0.12 0.00 0.12 0.00 0.00 56.93 54.49 1rjf s PHE 119 Cb 0.11 -2.58 0.98 0.00 -0.57 0.00 0.00 43.02 40.97 1rjf s PHE 119 CO 0.75 -0.92 1.99 -1.35 -0.10 0.00 0.00 175.22 175.59 1rjf h PRO 120 N 7.71 0.44 -0.93 0.24 0.11 -1.79 -2.81 132.00 134.97 1rjf h PRO 120 Ca -0.08 -0.03 -0.49 0.00 0.11 0.00 0.00 66.00 65.52 1rjf h PRO 120 Cb 1.02 -0.10 -0.29 0.00 0.11 0.00 0.00 31.00 31.75 1rjf h PRO 120 CO 0.50 0.29 0.58 0.72 -0.21 0.00 0.00 178.00 179.88 1rjf n HIS 121 N -4.47 2.87 -3.77 0.65 8.25 -1.26 -4.93 115.22 112.56 1rjf n HIS 121 Ca 0.09 -1.83 -0.36 0.00 -0.26 0.00 0.00 57.72 55.35 1rjf n HIS 121 Cb 0.31 -0.90 -0.12 0.00 1.12 0.00 0.00 29.99 30.40 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 -3.30 3.67 0.45 2.41 2.96 -1.06 -3.28 118.68 120.52 1rjf s LEU 122 Ca 0.56 -0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 54.35 1rjf s LEU 122 Cb 0.47 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 45.16 1rjf s LEU 122 CO 0.10 0.01 0.70 0.00 -1.32 0.00 0.00 176.35 175.84 1rjf s ALA 123 N 1.37 3.56 -0.07 5.97 0.00 -0.77 -4.85 121.76 126.96 1rjf s ALA 123 Ca 0.06 -0.78 -0.12 0.00 0.00 0.00 0.00 51.96 51.12 1rjf s ALA 123 Cb -0.15 -2.34 0.03 0.00 0.00 0.00 0.00 23.12 20.65 1rjf s ALA 123 CO 0.05 -0.32 0.30 -0.47 0.00 0.00 0.00 175.76 175.33 1rjf s TYR 124 N -2.60 -0.26 -0.33 0.00 5.04 -0.88 -2.26 117.35 116.05 1rjf s TYR 124 Ca 0.46 0.57 -0.01 0.00 -2.44 0.00 0.00 57.07 55.65 1rjf s TYR 124 Cb -0.10 0.10 0.13 0.00 0.35 0.00 0.00 41.96 42.44 1rjf s TYR 124 CO 0.41 -0.26 0.21 0.08 -1.34 0.00 0.00 175.55 174.65 1rjf s VAL 125 N -0.50 -0.01 0.13 3.14 1.01 -0.47 -1.80 120.40 121.90 1rjf s VAL 125 Ca -0.06 -1.27 -0.31 0.00 0.00 0.00 0.00 61.98 60.34 1rjf s VAL 125 Cb -0.04 -1.02 -0.08 0.00 0.00 0.00 0.00 36.38 35.25 1rjf s VAL 125 CO 0.02 -0.84 1.32 -1.81 0.00 0.00 0.00 175.10 173.80 1rjf s ASP 126 N 1.50 6.91 -0.04 3.32 1.01 -0.34 -1.98 116.67 127.04 1rjf s ASP 126 Ca 0.15 2.27 0.01 0.00 0.71 0.00 0.00 52.55 55.69 1rjf s ASP 126 Cb -0.20 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.17 1rjf s ASP 126 CO -0.13 -0.57 -0.04 -0.63 0.21 0.00 0.00 175.17 174.01 1rjf s ILE 127 N 0.82 0.50 0.30 0.77 1.01 -1.06 -2.13 121.20 121.40 1rjf s ILE 127 Ca 0.61 -0.09 -0.20 0.00 0.00 0.00 0.00 60.65 60.97 1rjf s ILE 127 Cb -0.35 -0.54 0.03 0.00 0.01 0.00 0.00 42.46 41.61 1rjf s ILE 127 CO 0.32 0.22 0.74 -0.62 0.00 0.00 0.00 174.94 175.60 1rjf s ASP 128 N 1.00 -0.19 0.80 3.58 2.15 -1.19 -1.46 116.67 121.35 1rjf s ASP 128 Ca -0.10 -0.74 -0.15 0.00 0.43 0.00 0.00 52.55 52.00 1rjf s ASP 128 Cb -0.14 0.75 -0.01 0.00 -0.30 0.00 0.00 42.92 43.22 1rjf s ASP 128 CO -0.00 -1.42 0.50 -1.22 -0.17 0.00 0.00 175.17 172.85 1rjf n TYR 129 N -0.48 -0.97 -0.32 -5.34 0.53 -1.25 -2.28 117.16 107.04 1rjf n TYR 129 Ca -0.05 0.31 0.06 0.00 -1.02 0.00 0.00 57.90 57.20 1rjf n TYR 129 Cb 0.59 -1.88 0.25 0.00 -1.03 0.00 0.00 39.34 37.28 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 -0.76 0.89 0.10 7.72 -0.73 -1.93 -2.23 115.58 118.64 1rjf h ASN 130 Ca -0.45 0.03 -0.18 0.00 1.87 0.00 0.00 56.30 57.57 1rjf h ASN 130 Cb 1.33 -0.16 -0.00 0.00 0.27 0.00 0.00 38.32 39.75 1rjf h ASN 130 CO 0.40 0.53 -0.64 -0.33 -0.37 0.00 0.00 177.43 177.01 1rjf h GLU 131 N 0.99 0.52 -0.31 6.67 3.07 -2.00 -2.76 114.58 120.76 1rjf h GLU 131 Ca 0.44 -0.37 -0.14 0.00 -0.50 0.00 0.00 59.36 58.78 1rjf h GLU 131 Cb 0.37 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1rjf h GLU 131 CO -0.20 0.99 -0.36 0.77 -1.40 0.00 0.00 179.01 178.82 1rjf h SER 132 N 0.38 0.86 1.62 1.42 0.02 -1.76 -3.06 113.55 113.03 1rjf h SER 132 Ca -0.01 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1rjf h SER 132 Cb 1.21 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1rjf h SER 132 CO 0.12 1.17 0.00 -0.37 -1.14 0.00 0.00 176.83 176.61 1rjf h VAL 133 N 0.57 0.00 0.08 2.27 -1.51 -1.49 -2.56 116.25 113.61 1rjf h VAL 133 Ca 0.04 -0.65 -0.25 0.00 -1.23 0.00 0.00 66.70 64.61 1rjf h VAL 133 Cb 0.95 1.64 -0.00 0.00 -2.13 0.00 0.00 31.29 31.75 1rjf h VAL 133 CO 0.09 0.00 -1.13 -0.33 -1.23 0.00 0.00 177.57 174.97 1rjf h GLU 134 N 0.00 0.26 0.03 5.19 4.39 -1.49 -2.21 114.58 120.75 1rjf h GLU 134 Ca 0.00 -0.38 -0.23 0.00 0.34 0.00 0.00 59.36 59.08 1rjf h GLU 134 Cb 0.81 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1rjf h GLU 134 CO 0.00 1.15 -1.00 1.25 -1.16 0.00 0.00 179.01 179.25 1rjf h LEU 135 N 0.09 0.48 -0.70 1.33 5.85 -1.53 -2.87 115.31 117.96 1rjf h LEU 135 Ca -0.10 -0.41 -0.14 0.00 0.84 0.00 0.00 57.88 58.07 1rjf h LEU 135 Cb 1.84 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.71 1rjf h LEU 135 CO 0.18 1.23 -0.55 0.50 -0.34 0.00 0.00 178.44 179.46 1rjf h LYS 136 N 0.18 0.28 -0.09 1.25 3.64 -1.53 -2.57 116.57 117.74 1rjf h LYS 136 Ca -0.09 -0.18 -0.12 0.00 -1.27 0.00 0.00 60.65 58.99 1rjf h LYS 136 Cb 1.65 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.48 1rjf h LYS 136 CO 0.17 0.76 -0.50 -0.97 -2.27 0.00 0.00 179.45 176.64 1rjf h ASN 137 N 0.22 0.25 0.41 4.20 -1.24 -1.44 -2.52 115.58 115.45 1rjf h ASN 137 Ca 0.00 -0.12 -0.16 0.00 0.71 0.00 0.00 56.30 56.73 1rjf h ASN 137 Cb 1.04 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 40.01 1rjf h ASN 137 CO 0.09 0.71 -0.66 0.28 -1.29 0.00 0.00 177.43 176.56 1rjf h SER 138 N 0.18 0.27 0.32 1.15 0.02 -1.36 -2.92 113.55 111.21 1rjf h SER 138 Ca 0.01 -0.17 -0.31 0.00 -0.84 0.00 0.00 61.79 60.48 1rjf h SER 138 Cb 0.95 -0.08 0.03 0.00 0.14 0.00 0.00 62.40 63.44 1rjf h SER 138 CO 0.08 0.85 -1.33 0.40 -1.14 0.00 0.00 176.83 175.69 1rjf h ILE 139 N 0.16 1.34 -0.03 3.27 2.04 -1.38 -2.65 117.51 120.26 1rjf h ILE 139 Ca -0.01 -2.71 -0.14 0.00 1.00 0.00 0.00 64.86 62.99 1rjf h ILE 139 Cb 1.19 2.89 -0.02 0.00 -0.74 0.00 0.00 36.82 40.15 1rjf h ILE 139 CO 0.10 0.81 -0.63 -0.07 0.00 0.00 0.00 178.15 178.36 1rjf h LEU 140 N 0.17 0.13 0.00 1.44 3.38 -1.54 -2.88 115.31 116.02 1rjf h LEU 140 Ca -0.20 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1rjf h LEU 140 Cb 2.02 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.73 1rjf h LEU 140 CO 0.24 0.73 -0.59 0.03 0.09 0.00 0.00 178.44 178.94 1rjf h ARG 141 N 0.08 0.00 0.02 1.13 3.08 -1.59 -3.17 114.38 113.93 1rjf h ARG 141 Ca -0.01 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.83 1rjf h ARG 141 Cb 1.13 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 1rjf h ARG 141 CO 0.09 0.01 -1.12 1.49 -1.07 0.00 0.00 179.97 179.37 1rjf h GLU 142 N 0.00 0.05 -6.93 0.04 4.57 -1.47 -3.41 114.58 107.43 1rjf h GLU 142 Ca -0.00 -0.08 -0.52 0.00 -1.18 0.00 0.00 59.36 57.58 1rjf h GLU 142 Cb 1.01 0.03 0.07 0.00 -0.16 0.00 0.00 28.75 29.71 1rjf h GLU 142 CO 0.00 1.04 0.61 0.45 -1.18 0.00 0.00 179.01 179.93 1rjf s SER 143 N -6.79 6.47 0.07 1.04 0.15 -1.09 -4.96 113.70 108.59 1rjf s SER 143 Ca -0.26 2.63 -0.13 0.00 0.70 0.00 0.00 55.95 58.89 1rjf s SER 143 Cb 0.04 -2.64 -0.26 0.00 -1.71 0.00 0.00 66.02 61.45 1rjf s SER 143 CO 0.64 -0.74 1.14 -0.08 1.20 0.00 0.00 173.24 175.40 1rjf h GLU 144 N 2.88 0.61 -0.08 5.44 4.81 -1.90 -2.68 114.58 123.66 1rjf h GLU 144 Ca -0.49 -0.78 -0.17 0.00 -0.13 0.00 0.00 59.36 57.79 1rjf h GLU 144 Cb 1.24 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.86 1rjf h GLU 144 CO 0.63 1.34 -0.68 0.97 -0.73 0.00 0.00 179.01 180.55 1rjf h ILE 145 N 0.29 1.38 0.00 2.32 2.10 -1.95 -2.64 117.51 119.01 1rjf h ILE 145 Ca -0.17 -2.08 -0.11 0.00 1.08 0.00 0.00 64.86 63.58 1rjf h ILE 145 Cb 1.86 2.06 -0.02 0.00 -1.09 0.00 0.00 36.82 39.63 1rjf h ILE 145 CO 0.23 0.62 -0.50 -0.07 -1.08 0.00 0.00 178.15 177.35 1rjf h LEU 146 N 0.26 0.00 -0.35 2.19 3.38 -1.84 -2.94 115.31 116.01 1rjf h LEU 146 Ca -0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1rjf h LEU 146 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1rjf h LEU 146 CO 0.11 0.50 -0.11 0.03 0.09 0.00 0.00 178.44 179.06 1rjf h ARG 147 N 0.00 0.69 -0.01 1.13 3.08 -1.37 -3.21 114.38 114.69 1rjf h ARG 147 Ca -0.01 -0.28 -0.13 0.00 0.07 0.00 0.00 59.98 59.64 1rjf h ARG 147 Cb 1.16 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.16 1rjf h ARG 147 CO 0.07 0.87 -0.58 0.82 -1.07 0.00 0.00 179.97 180.07 1rjf h ILE 148 N 0.48 1.41 -0.28 2.04 2.04 -1.47 -0.61 117.51 121.11 1rjf h ILE 148 Ca 0.08 -1.98 -0.08 0.00 1.00 0.00 0.00 64.86 63.88 1rjf h ILE 148 Cb 0.63 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 1rjf h ILE 148 CO 0.04 0.57 -0.18 0.77 0.00 0.00 0.00 178.15 179.35 1rjf h SER 149 N 0.03 0.50 -0.02 1.72 4.64 -1.54 -3.15 113.55 115.73 1rjf h SER 149 Ca -0.01 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1rjf h SER 149 Cb 1.04 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1rjf h SER 149 CO 0.08 0.70 -0.18 0.18 -0.87 0.00 0.00 176.83 176.73 1rjf n LEU 150 N -4.16 2.00 -1.39 5.97 4.77 -1.18 -4.97 117.00 118.04 1rjf n LEU 150 Ca 0.00 -0.87 -0.14 0.00 -0.03 0.00 0.00 56.01 54.97 1rjf n LEU 150 Cb 0.37 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1rjf n LEU 150 CO 0.41 0.37 -0.16 0.61 -1.33 0.00 0.00 177.39 177.29 1rjf n GLY 151 N 1.07 0.53 3.82 -0.72 0.00 -0.34 -4.90 105.19 104.65 1rjf n GLY 151 Ca 0.08 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.72 3.34 0.73 0.99 1.43 -0.57 -5.01 118.68 115.86 1rjf s LEU 152 Ca 0.00 1.66 -0.03 0.00 -1.03 0.00 0.00 54.13 54.73 1rjf s LEU 152 Cb 0.00 -4.51 0.11 0.00 0.03 0.00 0.00 46.19 41.82 1rjf s LEU 152 CO 0.00 -1.18 1.01 -0.94 0.23 0.00 0.00 176.35 175.47 1rjf s SER 153 N -3.38 4.39 0.08 2.29 1.04 -1.26 -4.78 113.70 112.09 1rjf s SER 153 Ca 0.60 -0.10 0.03 0.00 0.48 0.00 0.00 55.95 56.95 1rjf s SER 153 Cb -0.14 -0.35 -0.24 0.00 0.10 0.00 0.00 66.02 65.39 1rjf s SER 153 CO 0.45 -1.83 1.15 0.50 0.98 0.00 0.00 173.24 174.49 1rjf h LYS 154 N -0.60 0.11 -7.47 4.02 3.64 -1.98 -3.46 116.57 110.83 1rjf h LYS 154 Ca -0.39 -0.19 -0.49 0.00 -1.27 0.00 0.00 60.65 58.31 1rjf h LYS 154 Cb 1.27 0.07 0.08 0.00 -0.41 0.00 0.00 32.23 33.24 1rjf h LYS 154 CO 0.45 1.05 0.41 -1.21 -2.27 0.00 0.00 179.45 177.88 1rjf s GLU 155 N -2.68 2.87 -1.12 1.90 8.01 -1.26 -4.81 118.70 121.61 1rjf s GLU 155 Ca -0.02 0.48 -0.17 0.00 0.01 0.00 0.00 54.97 55.28 1rjf s GLU 155 Cb 0.09 -2.02 0.14 0.00 -4.31 0.00 0.00 34.13 28.02 1rjf s GLU 155 CO 0.84 -1.03 1.39 -0.51 0.01 0.00 0.00 175.26 175.96 1rjf s ASP 156 N -4.34 6.87 0.11 -0.19 1.11 -1.26 -4.81 116.67 114.16 1rjf s ASP 156 Ca 0.58 -2.52 0.25 0.00 0.18 0.00 0.00 52.55 51.04 1rjf s ASP 156 Cb -0.11 -2.44 0.53 0.00 1.07 0.00 0.00 42.92 41.97 1rjf s ASP 156 CO 0.52 -0.96 1.48 0.35 1.18 0.00 0.00 175.17 177.74 1rjf n THR 157 N 5.29 0.33 -1.30 -1.27 -2.24 -1.26 -4.93 114.28 108.90 1rjf n THR 157 Ca 0.34 -0.22 -0.29 0.00 -2.27 0.00 0.00 64.05 61.61 1rjf n THR 157 Cb 0.46 -0.20 0.15 0.00 -2.10 0.00 0.00 70.33 68.64 1rjf n THR 157 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rjf s ALA 158 N -3.12 1.34 0.05 6.98 0.00 -1.26 -5.06 121.76 120.68 1rjf s ALA 158 Ca 0.08 -0.35 0.03 0.00 0.00 0.00 0.00 51.96 51.72 1rjf s ALA 158 Cb 0.14 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 1rjf s ALA 158 CO 0.68 -2.55 -0.09 0.15 0.00 0.00 0.00 175.76 173.94 1rjf s LYS 159 N -5.06 0.61 6.77 0.00 3.01 -1.21 -4.96 119.74 118.90 1rjf s LYS 159 Ca 0.64 -0.77 0.00 0.00 -1.01 0.00 0.00 55.97 54.83 1rjf s LYS 159 Cb -0.17 -0.45 0.00 0.00 -1.01 0.00 0.00 37.83 36.20 1rjf s LYS 159 CO 0.56 0.09 0.00 0.43 0.51 0.00 0.00 175.35 176.94 1rjf n SER 160 N 1.53 0.00 0.11 2.83 7.64 -1.26 -2.89 113.62 121.58 1rjf n SER 160 Ca -0.22 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.65 1rjf n SER 160 Cb 0.55 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.72 1rjf n SER 160 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1rjf h PRO 161 N 0.00 0.00 -5.70 1.43 0.13 -1.97 -3.45 132.00 122.44 1rjf h PRO 161 Ca 0.00 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.54 1rjf h PRO 161 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 1rjf h PRO 161 CO 0.00 0.66 0.15 -0.06 -0.23 0.00 0.00 178.00 178.52 1rjf s PHE 162 N -2.87 3.38 0.19 1.56 0.40 -1.14 -3.45 117.98 116.05 1rjf s PHE 162 Ca 0.03 0.97 0.05 0.00 -0.60 0.00 0.00 56.93 57.37 1rjf s PHE 162 Cb 0.08 -2.83 0.07 0.00 0.51 0.00 0.00 43.02 40.86 1rjf s PHE 162 CO 0.77 -0.18 1.43 -0.07 0.70 0.00 0.00 175.22 177.88 1rjf h LEU 163 N 8.20 0.18 -8.26 -0.37 3.38 -1.67 -3.19 115.31 113.59 1rjf h LEU 163 Ca -0.31 -0.14 -0.51 0.00 0.09 0.00 0.00 57.88 57.01 1rjf h LEU 163 Cb 1.14 -0.06 -0.29 0.00 0.09 0.00 0.00 40.66 41.55 1rjf h LEU 163 CO 0.78 0.91 -0.82 -0.63 0.09 0.00 0.00 178.44 178.77 1rjf s ILE 164 N -3.30 1.21 -0.47 1.22 1.01 -1.18 -4.34 121.20 115.35 1rjf s ILE 164 Ca -0.02 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.02 1rjf s ILE 164 Cb 0.11 -1.01 0.24 0.00 0.01 0.00 0.00 42.46 41.80 1rjf s ILE 164 CO 0.81 0.33 0.80 -0.67 0.00 0.00 0.00 174.94 176.21 1rjf n ASP 165 N 2.66 -2.36 -4.03 3.58 2.03 -1.26 -2.35 116.55 114.82 1rjf n ASP 165 Ca -0.15 -3.15 -0.31 0.00 0.52 0.00 0.00 54.79 51.70 1rjf n ASP 165 Cb 0.55 1.35 -0.15 0.00 -0.72 0.00 0.00 41.12 42.15 1rjf n ASP 165 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1rjf s GLN 166 N 0.37 1.83 6.27 -0.67 -1.52 -1.11 -4.99 119.66 119.82 1rjf s GLN 166 Ca 0.32 -1.54 0.00 0.00 -1.95 0.00 0.00 55.36 52.20 1rjf s GLN 166 Cb 0.20 -2.97 0.00 0.00 -0.22 0.00 0.00 33.01 30.02 1rjf s GLN 166 CO -0.21 -0.74 0.00 0.41 -0.25 0.00 0.00 175.29 174.50 1rjf n GLY 167 N 4.39 1.74 1.60 3.09 0.00 -1.26 -3.01 105.19 111.74 1rjf n GLY 167 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 1.74 2.23 -3.93 1.61 1.74 -1.26 -4.96 116.66 113.83 1rjf n ARG 168 Ca 0.00 -3.31 -0.11 0.00 -0.77 0.00 0.00 57.85 53.66 1rjf n ARG 168 Cb 0.00 -1.99 -0.13 0.00 -1.02 0.00 0.00 32.46 29.32 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 -3.38 0.13 -0.13 -1.55 5.04 -1.16 -2.08 117.35 114.20 1rjf s TYR 169 Ca 0.50 -0.19 -0.04 0.00 -2.44 0.00 0.00 57.07 54.89 1rjf s TYR 169 Cb 0.43 -0.09 0.07 0.00 0.35 0.00 0.00 41.96 42.72 1rjf s TYR 169 CO 0.02 -0.07 0.23 0.15 -1.34 0.00 0.00 175.55 174.55 1rjf s LYS 170 N -0.54 0.13 -0.15 4.97 1.02 -0.74 -2.77 119.74 121.66 1rjf s LYS 170 Ca -0.06 0.61 -0.08 0.00 0.02 0.00 0.00 55.97 56.47 1rjf s LYS 170 Cb -0.04 -0.30 -0.04 0.00 -0.52 0.00 0.00 37.83 36.93 1rjf s LYS 170 CO -0.00 -0.36 0.12 -1.17 -0.92 0.00 0.00 175.35 173.01 1rjf s LEU 171 N 2.38 4.20 -0.10 3.17 2.96 -0.99 -1.20 118.68 129.10 1rjf s LEU 171 Ca 0.03 0.32 -0.07 0.00 -0.22 0.00 0.00 54.13 54.18 1rjf s LEU 171 Cb -0.13 -2.04 0.03 0.00 0.50 0.00 0.00 46.19 44.55 1rjf s LEU 171 CO -0.09 0.30 0.25 0.00 -1.32 0.00 0.00 176.35 175.50 1rjf s ALA 172 N -0.39 -0.60 0.05 5.97 0.00 -0.91 -1.82 121.76 124.06 1rjf s ALA 172 Ca 0.11 0.81 -0.26 0.00 0.00 0.00 0.00 51.96 52.63 1rjf s ALA 172 Cb -0.12 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.46 1rjf s ALA 172 CO 0.01 -0.15 0.79 0.00 0.00 0.00 0.00 175.76 176.42 1rjf s ALA 173 N 0.54 3.35 -0.28 0.00 0.00 -1.22 -3.16 121.76 120.98 1rjf s ALA 173 Ca -0.03 0.32 -0.19 0.00 0.00 0.00 0.00 51.96 52.05 1rjf s ALA 173 Cb -0.05 -3.04 0.11 0.00 0.00 0.00 0.00 23.12 20.15 1rjf s ALA 173 CO -0.03 0.04 0.88 0.00 0.00 0.00 0.00 175.76 176.65 1rjf s ASP 175 N 1.02 6.53 0.38 0.00 2.15 -1.26 -3.85 116.67 121.63 1rjf s ASP 175 Ca -0.05 0.21 0.27 0.00 0.43 0.00 0.00 52.55 53.40 1rjf s ASP 175 Cb -0.05 -2.51 0.82 0.00 -0.30 0.00 0.00 42.92 40.89 1rjf s ASP 175 CO -0.12 -1.22 1.76 -0.07 -0.17 0.00 0.00 175.17 175.35 1rjf h LEU 176 N 11.09 0.00 -0.98 -1.34 3.38 -1.98 -2.67 115.31 122.81 1rjf h LEU 176 Ca -0.24 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 1rjf h LEU 176 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1rjf h LEU 176 CO 1.10 0.00 -0.39 0.78 0.09 0.00 0.00 178.44 180.02 1rjf h ASN 177 N 0.00 0.24 -3.35 -0.43 4.21 -1.91 -3.41 115.58 110.93 1rjf h ASN 177 Ca 0.00 -0.10 -0.58 0.00 1.21 0.00 0.00 56.30 56.83 1rjf h ASN 177 Cb 0.71 -0.07 -0.07 0.00 -1.12 0.00 0.00 38.32 37.77 1rjf h ASN 177 CO 0.00 0.61 0.72 -0.62 -1.29 0.00 0.00 177.43 176.86 1rjf s ASP 178 N -6.88 6.85 0.11 5.81 -1.08 -1.01 -4.91 116.67 115.56 1rjf s ASP 178 Ca -0.04 0.92 0.04 0.00 -0.52 0.00 0.00 52.55 52.94 1rjf s ASP 178 Cb 0.14 -2.51 -0.22 0.00 -1.46 0.00 0.00 42.92 38.87 1rjf s ASP 178 CO 0.77 -0.82 1.25 -0.29 0.52 0.00 0.00 175.17 176.60 1rjf h ILE 179 N 5.71 1.65 -0.60 4.11 6.09 -1.82 -2.90 117.51 129.74 1rjf h ILE 179 Ca -0.22 -3.28 -0.08 0.00 -1.37 0.00 0.00 64.86 59.91 1rjf h ILE 179 Cb 1.07 2.86 -0.02 0.00 0.47 0.00 0.00 36.82 41.19 1rjf h ILE 179 CO 1.00 0.94 0.04 0.74 -3.07 0.00 0.00 178.15 177.80 1rjf h THR 180 N 0.03 1.26 0.00 2.19 2.02 -1.94 -2.33 112.91 114.14 1rjf h THR 180 Ca -0.05 -1.07 -0.13 0.00 0.77 0.00 0.00 66.41 65.93 1rjf h THR 180 Cb 1.81 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 1rjf h THR 180 CO 0.15 0.39 -0.63 -0.08 0.37 0.00 0.00 175.52 175.72 1rjf h GLU 181 N 0.94 0.00 -0.14 6.66 4.81 -1.87 -3.05 114.58 121.92 1rjf h GLU 181 Ca 0.18 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.24 1rjf h GLU 181 Cb 0.48 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.87 1rjf h GLU 181 CO 0.02 0.63 -0.58 1.15 -0.73 0.00 0.00 179.01 179.50 1rjf h THR 182 N 0.00 1.33 -0.10 0.32 2.02 -1.28 -2.95 112.91 112.24 1rjf h THR 182 Ca -0.01 -1.84 -0.19 0.00 0.77 0.00 0.00 66.41 65.14 1rjf h THR 182 Cb 1.16 2.06 -0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1rjf h THR 182 CO 0.08 0.57 -0.74 0.71 0.37 0.00 0.00 175.52 176.51 1rjf h THR 183 N 0.30 1.35 -0.07 3.16 1.35 -1.51 -2.75 112.91 114.74 1rjf h THR 183 Ca -0.03 -2.09 -0.09 0.00 -0.55 0.00 0.00 66.41 63.64 1rjf h THR 183 Cb 1.21 2.08 -0.01 0.00 -1.73 0.00 0.00 68.15 69.69 1rjf h THR 183 CO 0.12 0.64 -0.37 0.03 -0.25 0.00 0.00 175.52 175.69 1rjf h ARG 184 N 0.34 0.14 -0.21 4.72 3.08 -1.62 -2.17 114.38 118.66 1rjf h ARG 184 Ca -0.04 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 59.79 1rjf h ARG 184 Cb 1.33 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.37 1rjf h ARG 184 CO 0.13 0.49 -0.57 1.25 -1.07 0.00 0.00 179.97 180.21 1rjf h LEU 185 N 0.12 0.73 -0.70 3.04 5.85 -1.49 -3.19 115.31 119.67 1rjf h LEU 185 Ca 0.01 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1rjf h LEU 185 Cb 0.72 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1rjf h LEU 185 CO 0.05 1.14 0.00 -0.07 -0.34 0.00 0.00 178.44 179.23 1rjf h LEU 186 N 0.49 0.00 -0.60 2.25 3.38 -1.17 -3.03 115.31 116.63 1rjf h LEU 186 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1rjf h LEU 186 Cb 1.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1rjf h LEU 186 CO 0.11 0.00 -0.63 0.44 0.09 0.00 0.00 178.44 178.45 1rjf h ASP 187 N 0.00 0.00 0.19 -0.43 3.32 -1.38 -2.61 116.42 115.50 1rjf h ASP 187 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1rjf h ASP 187 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1rjf h ASP 187 CO 0.00 0.63 -1.17 1.33 -1.72 0.00 0.00 179.24 178.31 1rjf n VAL 188 N -3.62 0.06 0.05 -1.35 0.24 -1.15 -4.46 118.33 108.10 1rjf n VAL 188 Ca -0.01 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1rjf n VAL 188 Cb 0.66 0.47 -0.01 0.00 -1.47 0.00 0.00 33.84 33.50 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 -1.03 0.58 0.16 0.00 -4.23 -0.98 -5.03 115.64 105.11 1rjf s THR 190 Ca 0.00 -1.91 0.09 0.00 -1.18 0.00 0.00 61.69 58.69 1rjf s THR 190 Cb 0.01 -1.69 -0.04 0.00 1.34 0.00 0.00 72.50 72.12 1rjf s THR 190 CO 0.04 -0.87 -0.11 -0.54 -0.54 0.00 0.00 174.62 172.61 1rjf s LYS 191 N -3.86 2.02 0.16 3.99 -0.14 -1.26 -4.61 119.74 116.03 1rjf s LYS 191 Ca 0.12 -1.24 -0.12 0.00 -1.36 0.00 0.00 55.97 53.38 1rjf s LYS 191 Cb 0.06 -2.16 0.04 0.00 -1.68 0.00 0.00 37.83 34.08 1rjf s LYS 191 CO -0.05 0.45 1.62 -0.09 -0.76 0.00 0.00 175.35 176.52 1rjf h ARG 192 N 3.10 0.92 0.00 1.68 2.43 -1.95 -3.30 114.38 117.25 1rjf h ARG 192 Ca -0.47 -0.28 -0.09 0.00 -0.81 0.00 0.00 59.98 58.33 1rjf h ARG 192 Cb 1.20 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 1rjf h ARG 192 CO 0.53 0.92 -0.44 1.05 -1.51 0.00 0.00 179.97 180.52 1rjf h GLU 193 N 0.80 0.00 -6.43 0.20 9.09 -1.97 -3.07 114.58 113.19 1rjf h GLU 193 Ca 0.15 0.00 -0.54 0.00 0.05 0.00 0.00 59.36 59.03 1rjf h GLU 193 Cb 0.49 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.58 1rjf h GLU 193 CO 0.02 0.44 0.59 0.42 0.05 0.00 0.00 179.01 180.53 1rjf s ILE 194 N -3.02 4.13 0.30 -1.06 1.01 -1.25 -4.78 121.20 116.53 1rjf s ILE 194 Ca 0.04 1.51 -0.27 0.00 0.00 0.00 0.00 60.65 61.93 1rjf s ILE 194 Cb 0.07 -3.97 -0.14 0.00 0.01 0.00 0.00 42.46 38.44 1rjf s ILE 194 CO 0.73 0.08 0.96 -2.65 0.00 0.00 0.00 174.94 174.07 1rjf n PRO 195 N 4.28 1.24 -4.22 2.79 -0.02 -1.26 -4.80 135.00 133.02 1rjf n PRO 195 Ca 0.09 0.43 -0.17 0.00 -2.02 0.00 0.00 63.50 61.83 1rjf n PRO 195 Cb 0.46 -1.79 -0.13 0.00 -0.02 0.00 0.00 33.50 32.03 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 -1.09 0.89 -0.14 3.45 2.01 -0.95 -1.84 115.64 117.96 1rjf s THR 196 Ca 0.59 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 61.60 1rjf s THR 196 Cb -0.70 -0.84 0.02 0.00 0.01 0.00 0.00 72.50 70.98 1rjf s THR 196 CO 0.59 -0.13 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.59 1rjf s ILE 197 N -1.00 1.77 -0.33 1.82 1.01 -1.04 -1.24 121.20 122.18 1rjf s ILE 197 Ca -0.02 -0.78 -0.08 0.00 0.00 0.00 0.00 60.65 59.78 1rjf s ILE 197 Cb -0.08 -1.61 0.03 0.00 0.01 0.00 0.00 42.46 40.80 1rjf s ILE 197 CO 0.01 0.49 0.12 -0.69 0.00 0.00 0.00 174.94 174.88 1rjf s VAL 198 N 1.19 4.03 -0.29 2.92 1.01 -0.92 -1.23 120.40 127.11 1rjf s VAL 198 Ca -0.00 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 60.95 1rjf s VAL 198 Cb -0.14 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 1rjf s VAL 198 CO -0.07 -0.12 0.14 -0.63 0.00 0.00 0.00 175.10 174.42 1rjf s ILE 199 N 1.47 4.68 -0.81 2.22 1.01 -1.06 -1.51 121.20 127.20 1rjf s ILE 199 Ca 0.00 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.41 1rjf s ILE 199 Cb -0.19 -3.32 0.24 0.00 0.01 0.00 0.00 42.46 39.21 1rjf s ILE 199 CO 0.04 0.16 0.86 -1.54 0.00 0.00 0.00 174.94 174.46 1rjf n SER 200 N 4.99 4.30 -4.53 3.58 3.41 -1.13 -0.69 113.62 123.55 1rjf n SER 200 Ca -0.14 -3.32 -0.42 0.00 -0.26 0.00 0.00 58.87 54.72 1rjf n SER 200 Cb 0.50 -0.90 -0.03 0.00 -0.26 0.00 0.00 64.21 63.51 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 -2.10 3.29 -1.07 4.33 2.12 -1.25 -2.91 118.70 121.11 1rjf s GLU 201 Ca 0.33 -0.25 -0.00 0.00 0.36 0.00 0.00 54.97 55.41 1rjf s GLU 201 Cb 0.04 -4.11 -0.00 0.00 0.26 0.00 0.00 34.13 30.32 1rjf s GLU 201 CO -0.04 -1.77 0.89 0.00 -0.54 0.00 0.00 175.26 173.80 1rjf n LEU 203 N -3.78 0.26 0.24 0.00 7.94 -1.26 -4.83 117.00 115.58 1rjf n LEU 203 Ca -0.25 0.05 0.16 0.00 -1.11 0.00 0.00 56.01 54.85 1rjf n LEU 203 Cb 0.65 -0.07 0.60 0.00 0.53 0.00 0.00 43.42 45.13 1rjf n LEU 203 CO 0.54 -0.24 0.95 -0.07 -1.11 0.00 0.00 177.39 177.47 1rjf h LEU 204 N 0.00 0.00 -0.79 -1.96 3.38 -1.90 -2.89 115.31 111.15 1rjf h LEU 204 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1rjf h LEU 204 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1rjf h LEU 204 CO 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 178.44 178.18 1rjf n TYR 206 N -4.06 0.00 -4.02 0.00 4.02 -1.09 -3.70 117.16 108.31 1rjf n TYR 206 Ca -0.01 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.64 1rjf n TYR 206 Cb 0.47 -0.19 -0.04 0.00 -0.02 0.00 0.00 39.34 39.57 1rjf n TYR 206 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 1rjf s MET 207 N -2.43 3.21 0.90 -0.72 -1.94 -1.15 -4.77 119.30 112.41 1rjf s MET 207 Ca 0.32 -0.81 -0.12 0.00 -1.71 0.00 0.00 55.69 53.36 1rjf s MET 207 Cb 0.20 -2.78 0.13 0.00 2.01 0.00 0.00 34.83 34.40 1rjf s MET 207 CO 0.45 0.46 1.15 -1.01 -0.01 0.00 0.00 175.02 176.06 1rjf s HIS 208 N -1.91 2.51 0.32 -0.03 3.76 -1.26 -4.30 115.29 114.37 1rjf s HIS 208 Ca 0.33 0.81 0.15 0.00 -0.15 0.00 0.00 55.06 56.20 1rjf s HIS 208 Cb -0.09 -3.43 0.72 0.00 1.11 0.00 0.00 32.58 30.89 1rjf s HIS 208 CO 0.27 -2.32 1.80 -0.97 -0.85 0.00 0.00 174.74 172.66 1rjf h ASN 209 N -1.46 0.00 0.04 1.40 -0.73 -1.94 -2.71 115.58 110.18 1rjf h ASN 209 Ca -0.49 0.00 -0.26 0.00 1.87 0.00 0.00 56.30 57.41 1rjf h ASN 209 Cb 1.33 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.94 1rjf h ASN 209 CO 0.61 0.39 -1.03 0.78 -0.37 0.00 0.00 177.43 177.81 1rjf h ASN 210 N 0.00 0.87 0.59 1.15 2.35 -1.99 -2.76 115.58 115.80 1rjf h ASN 210 Ca -0.00 -0.70 -0.18 0.00 -0.55 0.00 0.00 56.30 54.87 1rjf h ASN 210 Cb 0.75 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1rjf h ASN 210 CO 0.05 1.50 -0.79 -0.33 -1.65 0.00 0.00 177.43 176.22 1rjf h GLU 211 N 0.38 0.14 0.23 0.81 3.07 -1.90 -2.96 114.58 114.35 1rjf h GLU 211 Ca -0.12 -0.14 -0.33 0.00 -0.50 0.00 0.00 59.36 58.27 1rjf h GLU 211 Cb 1.69 0.04 0.03 0.00 -0.84 0.00 0.00 28.75 29.66 1rjf h GLU 211 CO 0.20 0.85 -1.43 0.66 -1.40 0.00 0.00 179.01 177.89 1rjf h SER 212 N 0.09 0.78 0.41 1.42 4.64 -1.58 -2.96 113.55 116.35 1rjf h SER 212 Ca -0.03 -0.83 -0.16 0.00 -0.47 0.00 0.00 61.79 60.31 1rjf h SER 212 Cb 1.37 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1rjf h SER 212 CO 0.11 1.65 -0.68 -0.61 -0.87 0.00 0.00 176.83 176.43 1rjf h GLN 213 N 0.14 0.24 0.00 4.77 5.75 -1.58 -2.35 115.11 122.08 1rjf h GLN 213 Ca -0.23 -0.19 -0.11 0.00 -0.15 0.00 0.00 58.65 57.97 1rjf h GLN 213 Cb 2.13 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 30.70 1rjf h GLN 213 CO 0.26 0.83 -0.54 1.25 -2.65 0.00 0.00 178.83 177.98 1rjf h LEU 214 N 0.17 0.00 -0.52 -2.39 5.85 -1.63 -2.50 115.31 114.29 1rjf h LEU 214 Ca -0.02 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 1rjf h LEU 214 Cb 1.22 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 1rjf h LEU 214 CO 0.11 0.54 -0.70 0.25 -0.34 0.00 0.00 178.44 178.29 1rjf h LEU 215 N 0.00 0.00 0.22 2.25 5.85 -1.36 -2.74 115.31 119.52 1rjf h LEU 215 Ca -0.01 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.40 1rjf h LEU 215 Cb 1.16 0.00 0.04 0.00 0.37 0.00 0.00 40.66 42.23 1rjf h LEU 215 CO 0.07 0.70 -1.38 0.40 -0.34 0.00 0.00 178.44 177.89 1rjf h ILE 216 N 0.00 1.30 0.00 4.05 2.04 -1.34 -3.11 117.51 120.45 1rjf h ILE 216 Ca -0.01 -2.62 -0.16 0.00 1.00 0.00 0.00 64.86 63.07 1rjf h ILE 216 Cb 1.29 2.97 -0.02 0.00 -0.74 0.00 0.00 36.82 40.31 1rjf h ILE 216 CO 0.09 0.79 -0.74 0.78 0.00 0.00 0.00 178.15 179.07 1rjf h ASN 217 N 0.14 0.00 0.20 1.72 2.35 -1.54 -2.97 115.58 115.49 1rjf h ASN 217 Ca -0.23 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.25 1rjf h ASN 217 Cb 2.07 0.00 0.03 0.00 0.05 0.00 0.00 38.32 40.47 1rjf h ASN 217 CO 0.26 0.74 -1.18 0.74 -1.65 0.00 0.00 177.43 176.34 1rjf h THR 218 N 0.00 1.38 -0.11 2.81 2.02 -1.61 -2.89 112.91 114.51 1rjf h THR 218 Ca -0.01 -2.62 -0.20 0.00 0.77 0.00 0.00 66.41 64.36 1rjf h THR 218 Cb 1.45 3.10 0.00 0.00 -1.74 0.00 0.00 68.15 70.96 1rjf h THR 218 CO 0.10 0.77 -0.74 0.40 0.37 0.00 0.00 175.52 176.41 1rjf h ILE 219 N -0.07 1.33 -0.31 3.11 2.04 -1.66 -1.78 117.51 120.17 1rjf h ILE 219 Ca -0.20 -2.06 -0.10 0.00 1.00 0.00 0.00 64.86 63.50 1rjf h ILE 219 Cb 1.93 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 40.04 1rjf h ILE 219 CO 0.22 0.63 -0.22 0.24 0.00 0.00 0.00 178.15 179.03 1rjf h MET 220 N 0.39 0.60 0.00 2.37 2.86 -1.65 -2.81 114.93 116.69 1rjf h MET 220 Ca -0.04 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1rjf h MET 220 Cb 1.34 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.96 1rjf h MET 220 CO 0.14 0.77 0.00 0.77 1.06 0.00 0.00 176.91 179.65 1rjf h SER 221 N 0.53 0.00 0.39 1.22 0.02 -1.45 -3.29 113.55 110.97 1rjf h SER 221 Ca 0.08 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.79 1rjf h SER 221 Cb 0.66 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.21 1rjf h SER 221 CO 0.05 0.00 -1.04 0.11 -1.14 0.00 0.00 176.83 174.81 1rjf h LYS 222 N 0.00 0.39 -6.31 3.45 1.57 -1.06 -3.45 116.57 111.16 1rjf h LYS 222 Ca 0.00 -0.48 -0.63 0.00 -1.87 0.00 0.00 60.65 57.67 1rjf h LYS 222 Cb 0.84 0.15 -0.11 0.00 0.08 0.00 0.00 32.23 33.19 1rjf h LYS 222 CO 0.00 1.16 -0.64 -0.06 -0.57 0.00 0.00 179.45 179.33 1rjf s PHE 223 N -3.09 3.00 -0.14 -1.35 0.08 -1.17 -4.69 117.98 110.62 1rjf s PHE 223 Ca -0.06 -0.04 -0.25 0.00 0.12 0.00 0.00 56.93 56.71 1rjf s PHE 223 Cb 0.08 -1.51 -0.22 0.00 -0.57 0.00 0.00 43.02 40.80 1rjf s PHE 223 CO 0.88 0.50 0.62 0.77 -0.10 0.00 0.00 175.22 177.88 1rjf h SER 224 N 3.14 0.00 -3.60 1.36 0.02 -1.81 -3.47 113.55 109.20 1rjf h SER 224 Ca -0.47 -0.83 -0.68 0.00 -0.84 0.00 0.00 61.79 58.97 1rjf h SER 224 Cb 1.18 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.41 1rjf h SER 224 CO 0.60 1.00 -0.85 -2.28 -1.14 0.00 0.00 176.83 174.16 1rjf s HIS 225 N -2.17 2.58 0.13 3.45 5.65 -1.26 -3.67 115.29 120.00 1rjf s HIS 225 Ca -0.18 -0.80 -0.10 0.00 0.25 0.00 0.00 55.06 54.23 1rjf s HIS 225 Cb -0.02 -1.70 0.04 0.00 -1.18 0.00 0.00 32.58 29.72 1rjf s HIS 225 CO 0.60 -0.27 0.48 0.41 -0.65 0.00 0.00 174.74 175.31 1rjf n GLY 226 N 3.26 1.13 3.14 1.59 0.00 -1.10 -2.24 105.19 110.96 1rjf n GLY 226 Ca -0.18 -1.07 0.03 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.40 -0.34 0.99 2.96 -0.37 -3.43 118.68 117.09 1rjf s LEU 227 Ca 0.10 0.72 -0.19 0.00 -0.22 0.00 0.00 54.13 54.54 1rjf s LEU 227 Cb -0.02 2.09 -0.00 0.00 0.50 0.00 0.00 46.19 48.76 1rjf s LEU 227 CO 0.04 -0.27 0.58 0.86 -1.32 0.00 0.00 176.35 176.24 1rjf s TRP 228 N 2.84 3.18 -0.54 5.38 -0.11 -0.64 -2.16 118.94 126.88 1rjf s TRP 228 Ca 0.19 0.35 -0.10 0.00 1.22 0.00 0.00 56.10 57.76 1rjf s TRP 228 Cb -0.14 -3.01 0.14 0.00 -1.50 0.00 0.00 33.47 28.96 1rjf s TRP 228 CO -0.22 -0.54 0.43 0.42 -4.62 0.00 0.00 176.95 172.41 1rjf s ILE 229 N 2.55 4.41 -0.23 5.86 1.01 -0.57 -2.46 121.20 131.77 1rjf s ILE 229 Ca 0.22 -2.01 -0.07 0.00 0.00 0.00 0.00 60.65 58.80 1rjf s ILE 229 Cb -0.15 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 1rjf s ILE 229 CO 0.13 -0.83 0.05 -0.55 0.00 0.00 0.00 174.94 173.74 1rjf s SER 230 N 2.43 5.10 -0.15 3.58 0.15 -1.03 -2.83 113.70 120.95 1rjf s SER 230 Ca 0.09 -0.18 -0.04 0.00 0.70 0.00 0.00 55.95 56.52 1rjf s SER 230 Cb -0.24 -1.90 -0.03 0.00 -1.71 0.00 0.00 66.02 62.14 1rjf s SER 230 CO -0.02 0.01 -0.02 -0.47 1.20 0.00 0.00 173.24 173.94 1rjf s TYR 231 N 1.35 3.07 0.27 3.44 5.04 -1.15 -2.20 117.35 127.16 1rjf s TYR 231 Ca 0.05 -0.17 -0.21 0.00 -2.44 0.00 0.00 57.07 54.29 1rjf s TYR 231 Cb -0.15 -1.94 0.03 0.00 0.35 0.00 0.00 41.96 40.24 1rjf s TYR 231 CO 0.03 0.07 0.73 -0.51 -1.34 0.00 0.00 175.55 174.53 1rjf s ASP 232 N 0.17 -0.27 0.39 4.32 1.01 -1.22 -2.39 116.67 118.69 1rjf s ASP 232 Ca -0.01 -0.57 0.01 0.00 0.71 0.00 0.00 52.55 52.69 1rjf s ASP 232 Cb -0.13 0.71 -0.02 0.00 1.01 0.00 0.00 42.92 44.49 1rjf s ASP 232 CO 0.02 -1.30 0.60 -2.16 0.21 0.00 0.00 175.17 172.54 1rjf s PRO 233 N -3.87 3.26 0.06 8.23 0.04 -1.26 -1.79 135.00 139.68 1rjf s PRO 233 Ca 0.11 -0.46 0.05 0.00 0.04 0.00 0.00 61.00 60.74 1rjf s PRO 233 Cb -0.05 -2.63 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 1rjf s PRO 233 CO 0.06 -0.05 -0.14 0.96 0.04 0.00 0.00 177.00 177.87 1rjf s ILE 234 N -2.41 1.08 0.26 0.56 -4.36 -0.99 -4.94 121.20 110.39 1rjf s ILE 234 Ca 0.44 -1.24 0.21 0.00 -0.26 0.00 0.00 60.65 59.80 1rjf s ILE 234 Cb -0.10 -1.03 0.18 0.00 1.25 0.00 0.00 42.46 42.76 1rjf s ILE 234 CO 0.36 -0.19 1.84 1.23 0.24 0.00 0.00 174.94 178.43 1rjf h GLY 235 N 4.42 0.00 0.00 6.27 0.00 -1.69 -3.44 103.07 108.63 1rjf h GLY 235 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1rjf h GLY 235 CO 0.41 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.56 1rjf n GLY 236 N -0.12 2.39 0.11 4.60 0.00 -0.87 -2.58 105.19 108.72 1rjf n GLY 236 Ca -0.01 -1.37 0.08 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 -4.09 1.61 4.64 -1.86 -3.46 113.55 110.40 1rjf h SER 237 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 1rjf h SER 237 Cb 0.00 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.15 1rjf h SER 237 CO 0.00 0.16 0.42 -1.10 -0.87 0.00 0.00 176.83 175.44 1rjf s GLN 238 N -3.24 3.45 0.44 4.77 -1.52 -1.26 -5.01 119.66 117.29 1rjf s GLN 238 Ca -0.01 1.55 -0.25 0.00 -1.95 0.00 0.00 55.36 54.70 1rjf s GLN 238 Cb 0.09 -2.02 -0.08 0.00 -0.22 0.00 0.00 33.01 30.78 1rjf s GLN 238 CO 0.79 -0.76 1.29 -2.14 -0.25 0.00 0.00 175.29 174.22 1rjf s PRO 239 N -3.29 3.78 -1.69 2.91 0.02 -1.26 -2.96 135.00 132.51 1rjf s PRO 239 Ca 0.71 2.11 -0.01 0.00 0.02 0.00 0.00 61.00 63.83 1rjf s PRO 239 Cb -0.22 -2.60 0.00 0.00 0.02 0.00 0.00 34.50 31.70 1rjf s PRO 239 CO 0.26 -0.63 0.15 -1.71 -0.33 0.00 0.00 177.00 174.73 1rjf n ASN 240 N -0.19 -5.88 -4.20 2.53 5.15 -1.26 -4.97 115.26 106.44 1rjf n ASN 240 Ca 0.05 -0.08 -0.41 0.00 -0.60 0.00 0.00 54.58 53.54 1rjf n ASN 240 Cb 0.45 -4.84 -0.07 0.00 -0.53 0.00 0.00 39.78 34.79 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 -2.24 5.85 -0.60 1.20 -1.08 -1.15 -4.95 116.67 113.70 1rjf s ASP 241 Ca 0.07 -2.50 -0.00 0.00 -0.52 0.00 0.00 52.55 49.60 1rjf s ASP 241 Cb -0.03 -2.01 0.47 0.00 -1.46 0.00 0.00 42.92 39.88 1rjf s ASP 241 CO 0.09 -0.54 1.93 0.54 0.52 0.00 0.00 175.17 177.71 1rjf n ARG 242 N 4.09 2.73 -0.03 4.34 1.74 -1.26 -4.45 116.66 123.82 1rjf n ARG 242 Ca 0.04 -3.36 -0.12 0.00 -0.77 0.00 0.00 57.85 53.65 1rjf n ARG 242 Cb 0.41 -2.27 0.01 0.00 -1.02 0.00 0.00 32.46 29.59 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 1.91 0.88 -0.01 -1.55 3.57 -1.93 -2.35 116.94 117.47 1rjf h PHE 243 Ca 0.58 -0.32 -0.14 0.00 3.53 0.00 0.00 57.97 61.62 1rjf h PHE 243 Cb 1.08 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 1rjf h PHE 243 CO 1.38 1.10 -0.66 0.78 -2.23 0.00 0.00 178.31 178.68 1rjf h GLY 244 N 0.89 0.03 1.96 2.40 0.00 -1.71 -2.40 103.07 104.24 1rjf h GLY 244 Ca 0.01 -0.04 -0.17 0.00 0.00 0.00 0.00 47.33 47.13 1rjf h GLY 244 CO 0.12 0.04 -0.78 0.00 0.00 0.00 0.00 176.54 175.91 1rjf h ALA 245 N 1.32 0.71 -0.01 3.60 0.00 -1.86 -2.87 119.26 120.15 1rjf h ALA 245 Ca -0.01 -0.70 -0.25 0.00 0.00 0.00 0.00 54.91 53.95 1rjf h ALA 245 Cb 1.17 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.86 1rjf h ALA 245 CO 0.09 0.95 -1.00 0.82 0.00 0.00 0.00 179.25 180.10 1rjf h ILE 246 N 0.02 1.31 -0.07 0.00 2.04 -1.37 -3.04 117.51 116.40 1rjf h ILE 246 Ca -0.01 -2.28 -0.19 0.00 1.00 0.00 0.00 64.86 63.37 1rjf h ILE 246 Cb 1.37 2.36 -0.00 0.00 -0.74 0.00 0.00 36.82 39.81 1rjf h ILE 246 CO 0.10 0.70 -0.76 -0.03 0.00 0.00 0.00 178.15 178.16 1rjf h MET 247 N 0.36 0.44 -0.27 2.37 4.05 -1.49 -1.21 114.93 119.18 1rjf h MET 247 Ca -0.11 -0.37 -0.13 0.00 -0.28 0.00 0.00 59.70 58.81 1rjf h MET 247 Cb 1.65 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 32.52 1rjf h MET 247 CO 0.19 1.01 -0.37 1.96 0.23 0.00 0.00 176.91 179.93 1rjf h GLN 248 N 0.29 0.61 0.00 0.39 4.20 -1.61 -2.20 115.11 116.78 1rjf h GLN 248 Ca -0.04 -0.29 -0.10 0.00 0.06 0.00 0.00 58.65 58.28 1rjf h GLN 248 Cb 1.35 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.11 1rjf h GLN 248 CO 0.13 0.88 -0.47 0.77 -0.67 0.00 0.00 178.83 179.47 1rjf h SER 249 N 0.51 0.00 1.77 1.46 0.02 -1.46 -3.13 113.55 112.71 1rjf h SER 249 Ca 0.05 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1rjf h SER 249 Cb 0.87 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.40 1rjf h SER 249 CO 0.07 0.47 -0.24 0.78 -1.14 0.00 0.00 176.83 176.78 1rjf h ASN 250 N 0.00 0.00 0.15 3.07 4.21 -1.01 -3.02 115.58 118.98 1rjf h ASN 250 Ca -0.00 0.00 -0.31 0.00 1.21 0.00 0.00 56.30 57.20 1rjf h ASN 250 Cb 1.08 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.29 1rjf h ASN 250 CO 0.06 0.15 -1.56 -0.07 -1.29 0.00 0.00 177.43 174.72 1rjf h LEU 251 N 0.00 0.50 -0.13 1.61 -0.00 -1.39 -3.10 115.31 112.80 1rjf h LEU 251 Ca -0.01 -0.90 -0.20 0.00 -0.00 0.00 0.00 57.88 56.78 1rjf h LEU 251 Cb 1.12 -0.16 0.01 0.00 -0.00 0.00 0.00 40.66 41.63 1rjf h LEU 251 CO 0.02 1.70 -0.70 0.50 -0.00 0.00 0.00 178.44 179.96 1rjf h LYS 252 N -0.11 0.70 0.00 1.13 3.64 -1.55 -2.57 116.57 117.80 1rjf h LYS 252 Ca -0.32 -0.58 0.00 0.00 -1.27 0.00 0.00 60.65 58.48 1rjf h LYS 252 Cb 1.92 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.86 1rjf h LYS 252 CO 0.12 1.19 0.00 1.49 -2.27 0.00 0.00 179.45 179.98 1rjf h GLU 253 N 0.38 0.00 0.00 1.90 4.81 -1.69 -2.95 114.58 117.03 1rjf h GLU 253 Ca -0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1rjf h GLU 253 Cb 1.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1rjf h GLU 253 CO 0.14 0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 177.29 1rjf n SER 254 N -2.62 0.00 -0.86 1.04 3.41 -1.17 -4.88 113.62 108.54 1rjf n SER 254 Ca 0.02 0.14 0.05 0.00 -0.26 0.00 0.00 58.87 58.82 1rjf n SER 254 Cb 0.30 -0.27 0.09 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.67 0.63 -3.28 4.33 3.00 -1.07 -5.05 116.66 113.55 1rjf n ARG 255 Ca 0.00 -2.27 -0.16 0.00 -0.01 0.00 0.00 57.85 55.41 1rjf n ARG 255 Cb 0.00 -0.76 0.07 0.00 0.00 0.00 0.00 32.46 31.77 1rjf n ARG 255 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1rjf n ASN 256 N -0.32 -6.54 -4.38 0.55 2.85 -0.99 -4.99 115.26 101.44 1rjf n ASN 256 Ca 0.10 -0.73 -0.19 0.00 -0.11 0.00 0.00 54.58 53.65 1rjf n ASN 256 Cb 0.86 -5.07 -0.10 0.00 1.24 0.00 0.00 39.78 36.71 1rjf n ASN 256 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1rjf s LEU 257 N -5.48 2.35 0.12 1.20 1.02 -1.16 -4.95 118.68 111.78 1rjf s LEU 257 Ca 0.46 -1.20 0.06 0.00 0.02 0.00 0.00 54.13 53.47 1rjf s LEU 257 Cb -0.07 -0.45 -0.04 0.00 0.02 0.00 0.00 46.19 45.65 1rjf s LEU 257 CO 0.75 -0.42 -0.13 -1.61 0.02 0.00 0.00 176.35 174.95 1rjf s GLU 258 N -3.79 1.01 -0.54 1.70 2.02 -1.26 -3.39 118.70 114.45 1rjf s GLU 258 Ca 0.28 -1.24 0.04 0.00 0.02 0.00 0.00 54.97 54.07 1rjf s GLU 258 Cb 0.05 -0.85 0.16 0.00 0.10 0.00 0.00 34.13 33.58 1rjf s GLU 258 CO 0.10 0.16 0.37 -1.64 0.02 0.00 0.00 175.26 174.26 1rjf s MET 259 N -2.75 1.68 0.24 1.61 -1.94 -1.26 -4.44 119.30 112.44 1rjf s MET 259 Ca 0.09 -2.59 -0.06 0.00 -1.71 0.00 0.00 55.69 51.42 1rjf s MET 259 Cb -0.04 -2.56 0.25 0.00 2.01 0.00 0.00 34.83 34.48 1rjf s MET 259 CO 0.03 -1.27 1.89 -1.35 -0.01 0.00 0.00 175.02 174.31 1rjf h PRO 260 N 5.90 1.27 -0.84 2.03 0.11 -1.76 -3.19 132.00 135.52 1rjf h PRO 260 Ca 0.12 -0.12 -0.55 0.00 0.11 0.00 0.00 66.00 65.56 1rjf h PRO 260 Cb 0.85 -0.26 -0.30 0.00 0.11 0.00 0.00 31.00 31.40 1rjf h PRO 260 CO 0.55 0.89 0.25 0.25 -0.21 0.00 0.00 178.00 179.74 1rjf n THR 261 N -4.35 3.13 -0.07 -1.15 -2.24 -1.26 -4.61 114.28 103.74 1rjf n THR 261 Ca 0.10 -3.13 -0.11 0.00 -2.27 0.00 0.00 64.05 58.64 1rjf n THR 261 Cb 0.06 -0.95 -0.10 0.00 -2.10 0.00 0.00 70.33 67.25 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 1.78 0.00 -0.64 3.22 5.85 -1.86 -3.18 115.31 120.47 1rjf h LEU 262 Ca 0.49 -0.77 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 1rjf h LEU 262 Cb 1.38 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 1rjf h LEU 262 CO 1.13 0.89 -0.26 0.24 -0.34 0.00 0.00 178.44 180.11 1rjf h MET 263 N -1.00 0.00 0.05 1.25 2.86 -1.85 -3.00 114.93 113.24 1rjf h MET 263 Ca -0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1rjf h MET 263 Cb 0.78 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1rjf h MET 263 CO -0.00 0.26 -0.02 1.15 1.06 0.00 0.00 176.91 179.35 1rjf h THR 264 N 0.00 1.17 -2.68 2.22 2.02 -1.84 -3.29 112.91 110.50 1rjf h THR 264 Ca -0.00 -0.74 -0.78 0.00 0.77 0.00 0.00 66.41 65.66 1rjf h THR 264 Cb 0.96 1.66 -0.30 0.00 -1.74 0.00 0.00 68.15 68.73 1rjf h THR 264 CO 0.03 0.19 0.61 -1.22 0.37 0.00 0.00 175.52 175.50 1rjf n TYR 265 N -4.96 2.55 1.58 3.16 4.02 -1.20 -4.83 117.16 117.47 1rjf n TYR 265 Ca -0.08 -2.81 0.15 0.00 -0.01 0.00 0.00 57.90 55.15 1rjf n TYR 265 Cb 0.19 -1.13 0.70 0.00 -0.02 0.00 0.00 39.34 39.08 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 0.96 0.47 -4.40 7.72 6.94 -1.20 -4.31 115.26 121.43 1rjf n ASN 266 Ca 0.30 -0.80 -0.23 0.00 -0.02 0.00 0.00 54.58 53.84 1rjf n ASN 266 Cb 0.33 -0.06 -0.10 0.00 -2.36 0.00 0.00 39.78 37.59 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 -2.28 2.51 0.46 0.53 1.04 -1.26 -2.04 113.70 112.65 1rjf s SER 267 Ca 0.35 -1.44 0.25 0.00 0.48 0.00 0.00 55.95 55.59 1rjf s SER 267 Cb 0.21 0.05 0.63 0.00 0.10 0.00 0.00 66.02 67.01 1rjf s SER 267 CO 0.42 -0.68 1.71 0.07 0.98 0.00 0.00 173.24 175.75 1rjf h LYS 268 N 2.03 0.00 0.11 4.02 2.10 -1.94 -2.90 116.57 119.98 1rjf h LYS 268 Ca -0.40 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.05 1rjf h LYS 268 Cb 1.25 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.60 1rjf h LYS 268 CO 0.67 0.06 -0.87 0.93 -2.00 0.00 0.00 179.45 178.25 1rjf h GLU 269 N 0.00 0.40 -0.33 0.07 3.07 -1.96 -2.95 114.58 112.88 1rjf h GLU 269 Ca -0.00 -0.58 -0.10 0.00 -0.50 0.00 0.00 59.36 58.18 1rjf h GLU 269 Cb 0.89 0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.98 1rjf h GLU 269 CO 0.01 1.24 -0.23 0.87 -1.40 0.00 0.00 179.01 179.50 1rjf h LYS 270 N -0.15 0.64 -0.56 2.33 1.57 -1.94 -2.48 116.57 115.99 1rjf h LYS 270 Ca -0.14 -0.25 -0.09 0.00 -1.87 0.00 0.00 60.65 58.30 1rjf h LYS 270 Cb 1.63 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.88 1rjf h LYS 270 CO 0.17 0.82 -0.01 -0.92 -0.57 0.00 0.00 179.45 178.93 1rjf h TYR 271 N 0.56 1.06 0.00 -1.35 3.20 -1.62 -3.03 116.97 115.80 1rjf h TYR 271 Ca 0.08 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1rjf h TYR 271 Cb 0.69 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.68 1rjf h TYR 271 CO 0.03 0.95 0.00 0.00 -1.64 0.00 0.00 178.16 177.50 1rjf h ALA 272 N 1.08 1.00 0.00 1.82 0.00 -1.32 -3.13 119.26 118.71 1rjf h ALA 272 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1rjf h ALA 272 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1rjf h ALA 272 CO 0.03 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.15 1rjf n SER 273 N -2.68 0.00 0.12 0.00 3.41 -0.95 -2.89 113.62 110.63 1rjf n SER 273 Ca 0.03 0.48 -0.02 0.00 -0.26 0.00 0.00 58.87 59.10 1rjf n SER 273 Cb 0.37 -0.49 0.20 0.00 -0.26 0.00 0.00 64.21 64.03 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 0.11 -1.01 4.33 3.08 -1.67 -2.98 114.38 116.24 1rjf h ARG 274 Ca 0.00 -0.07 -0.64 0.00 0.07 0.00 0.00 59.98 59.34 1rjf h ARG 274 Cb 0.44 0.01 -0.29 0.00 0.08 0.00 0.00 29.97 30.20 1rjf h ARG 274 CO 0.00 0.61 0.83 0.91 -1.07 0.00 0.00 179.97 181.25 1rjf n TRP 275 N -3.92 3.16 0.27 3.04 8.01 -1.14 -4.66 117.44 122.20 1rjf n TRP 275 Ca -0.02 -2.81 0.16 0.00 -1.31 0.00 0.00 57.50 53.52 1rjf n TRP 275 Cb 0.55 -1.36 0.64 0.00 -2.01 0.00 0.00 31.31 29.13 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 1.82 0.00 -0.47 -0.99 4.64 -1.65 -2.83 113.55 114.08 1rjf h SER 276 Ca 0.61 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.88 1rjf h SER 276 Cb 1.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 1rjf h SER 276 CO 1.50 0.04 0.13 0.00 -0.87 0.00 0.00 176.83 177.62 1rjf h ALA 277 N 1.96 1.24 -2.68 5.18 0.00 -1.87 -3.42 119.26 119.67 1rjf h ALA 277 Ca -0.00 -0.20 -0.52 0.00 0.00 0.00 0.00 54.91 54.19 1rjf h ALA 277 Cb 0.55 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 18.15 1rjf h ALA 277 CO 0.00 0.53 0.58 0.00 0.00 0.00 0.00 179.25 180.36 1rjf s ALA 278 N -5.21 3.46 -0.41 0.00 0.00 -1.07 -4.96 121.76 113.58 1rjf s ALA 278 Ca -0.10 1.00 0.26 0.00 0.00 0.00 0.00 51.96 53.13 1rjf s ALA 278 Cb 0.16 -3.43 0.85 0.00 0.00 0.00 0.00 23.12 20.70 1rjf s ALA 278 CO 0.80 -0.41 1.77 -1.00 0.00 0.00 0.00 175.76 176.91 1rjf h PRO 279 N 5.14 0.00 -3.06 0.00 0.13 -1.82 -3.40 132.00 128.98 1rjf h PRO 279 Ca -0.45 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.06 1rjf h PRO 279 Cb 1.21 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.94 1rjf h PRO 279 CO 0.74 0.00 -0.70 1.21 -0.23 0.00 0.00 178.00 179.02 1rjf s ASN 280 N -5.18 3.83 -0.25 1.44 2.47 -1.19 -5.05 114.94 111.01 1rjf s ASN 280 Ca 0.06 -2.92 -0.02 0.00 0.42 0.00 0.00 52.86 50.40 1rjf s ASN 280 Cb 0.09 -1.23 0.02 0.00 -1.45 0.00 0.00 41.25 38.69 1rjf s ASN 280 CO 0.56 -0.23 -0.05 -0.69 -3.72 0.00 0.00 177.10 172.97 1rjf s VAL 281 N -0.08 2.99 0.13 -5.21 1.01 -1.26 -1.57 120.40 116.42 1rjf s VAL 281 Ca 0.19 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.24 1rjf s VAL 281 Cb -0.20 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1rjf s VAL 281 CO -0.03 0.19 0.13 -0.63 0.00 0.00 0.00 175.10 174.76 1rjf s ILE 282 N 1.34 4.57 -0.25 2.22 1.01 -1.15 -5.00 121.20 123.94 1rjf s ILE 282 Ca 0.01 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 59.59 1rjf s ILE 282 Cb -0.17 -3.29 0.08 0.00 0.01 0.00 0.00 42.46 39.10 1rjf s ILE 282 CO -0.04 -0.03 0.59 0.54 0.00 0.00 0.00 174.94 176.00 1rjf s VAL 283 N -1.63 -0.20 -0.04 2.92 0.11 -1.26 -1.90 120.40 118.40 1rjf s VAL 283 Ca 0.31 0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.38 1rjf s VAL 283 Cb -0.11 -0.87 0.03 0.00 -1.53 0.00 0.00 36.38 33.90 1rjf s VAL 283 CO 0.23 0.02 0.09 0.20 -3.33 0.00 0.00 175.10 172.31 1rjf s ASN 284 N 1.83 -0.03 0.88 3.54 0.01 -1.20 -5.01 114.94 114.96 1rjf s ASN 284 Ca -0.09 0.18 -0.11 0.00 -0.71 0.00 0.00 52.86 52.13 1rjf s ASN 284 Cb -0.07 0.08 0.12 0.00 0.41 0.00 0.00 41.25 41.79 1rjf s ASN 284 CO -0.17 -0.13 1.09 1.51 -1.51 0.00 0.00 177.10 177.89 1rjf s ASP 285 N 1.00 3.54 0.30 -1.22 -4.77 -1.26 -2.28 116.67 111.98 1rjf s ASP 285 Ca -0.08 1.66 0.26 0.00 -3.30 0.00 0.00 52.55 51.09 1rjf s ASP 285 Cb -0.11 -2.32 0.95 0.00 -1.09 0.00 0.00 42.92 40.35 1rjf s ASP 285 CO -0.04 -2.62 1.76 0.24 0.70 0.00 0.00 175.17 175.21 1rjf h MET 286 N -1.54 0.00 -0.02 2.11 2.86 -1.02 -2.29 114.93 115.04 1rjf h MET 286 Ca -0.48 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 56.94 1rjf h MET 286 Cb 1.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.93 1rjf h MET 286 CO 0.52 0.00 -0.90 2.35 1.06 0.00 0.00 176.91 179.94 1rjf h TRP 287 N 0.00 0.62 -0.09 -0.22 2.91 -1.85 -2.61 115.95 114.71 1rjf h TRP 287 Ca 0.00 -0.33 -0.11 0.00 1.13 0.00 0.00 58.89 59.58 1rjf h TRP 287 Cb 0.53 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 29.09 1rjf h TRP 287 CO 0.00 1.14 -0.43 0.93 -1.03 0.00 0.00 178.44 179.04 1rjf h GLU 288 N 0.25 0.21 0.00 2.65 5.08 -1.76 -2.89 114.58 118.12 1rjf h GLU 288 Ca -0.07 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.05 1rjf h GLU 288 Cb 1.53 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.76 1rjf h GLU 288 CO 0.16 0.61 -0.64 0.82 -1.00 0.00 0.00 179.01 178.96 1rjf h ILE 289 N 0.18 1.46 -0.19 3.13 2.04 -1.50 -2.43 117.51 120.20 1rjf h ILE 289 Ca 0.01 -2.20 -0.12 0.00 1.00 0.00 0.00 64.86 63.55 1rjf h ILE 289 Cb 0.84 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 1rjf h ILE 289 CO 0.07 0.63 -0.40 0.15 0.00 0.00 0.00 178.15 178.59 1rjf h PHE 290 N 0.00 0.51 0.00 1.37 3.57 -1.27 -2.42 116.94 118.70 1rjf h PHE 290 Ca -0.01 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1rjf h PHE 290 Cb 1.14 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.76 1rjf h PHE 290 CO 0.00 0.77 -1.12 0.09 -2.23 0.00 0.00 178.31 175.82 1rjf n ASN 291 N -4.03 0.73 -0.02 0.41 3.02 -1.11 -4.28 115.26 109.97 1rjf n ASN 291 Ca -0.02 0.26 -0.06 0.00 -0.03 0.00 0.00 54.58 54.73 1rjf n ASN 291 Cb 0.50 0.65 -0.02 0.00 -0.61 0.00 0.00 39.78 40.29 1rjf n ASN 291 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rjf n ALA 292 N -2.16 2.09 0.08 5.41 0.00 -0.92 -4.83 120.51 120.18 1rjf n ALA 292 Ca -0.00 -0.39 -0.17 0.00 0.00 0.00 0.00 53.44 52.88 1rjf n ALA 292 Cb 0.54 0.19 -0.09 0.00 0.00 0.00 0.00 19.45 20.09 1rjf n ALA 292 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1rjf h GLN 293 N -0.44 0.48 -6.16 0.00 4.20 -1.63 -3.43 115.11 108.12 1rjf h GLN 293 Ca -0.06 -0.60 -0.57 0.00 0.06 0.00 0.00 58.65 57.48 1rjf h GLN 293 Cb 0.59 0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.53 1rjf h GLN 293 CO -0.03 1.24 0.91 0.42 -0.67 0.00 0.00 178.83 180.69 1rjf s ILE 294 N -3.07 4.26 1.09 2.54 -1.09 -1.06 -5.01 121.20 118.86 1rjf s ILE 294 Ca -0.07 1.52 -0.12 0.00 -2.23 0.00 0.00 60.65 59.74 1rjf s ILE 294 Cb 0.07 -3.99 0.24 0.00 -1.58 0.00 0.00 42.46 37.20 1rjf s ILE 294 CO 0.90 -0.15 1.06 -2.84 -1.23 0.00 0.00 174.94 172.68 1rjf s PRO 295 N 3.54 -0.32 0.32 2.79 0.02 -1.26 -4.83 135.00 135.27 1rjf s PRO 295 Ca 0.55 0.86 0.13 0.00 0.02 0.00 0.00 61.00 62.56 1rjf s PRO 295 Cb -0.22 -1.62 0.54 0.00 0.02 0.00 0.00 34.50 33.22 1rjf s PRO 295 CO 0.15 -3.33 1.71 1.49 -0.33 0.00 0.00 177.00 176.70 1rjf h GLU 296 N -2.34 0.00 -0.25 5.54 4.57 -1.97 -2.87 114.58 117.26 1rjf h GLU 296 Ca -0.57 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 57.49 1rjf h GLU 296 Cb 1.32 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.90 1rjf h GLU 296 CO 0.51 0.49 -0.32 0.66 -1.18 0.00 0.00 179.01 179.18 1rjf h SER 297 N 0.00 0.53 0.03 1.04 4.64 -2.00 -2.85 113.55 114.95 1rjf h SER 297 Ca -0.00 -0.21 -0.20 0.00 -0.47 0.00 0.00 61.79 60.91 1rjf h SER 297 Cb 0.91 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1rjf h SER 297 CO 0.06 0.82 -0.71 -0.33 -0.87 0.00 0.00 176.83 175.81 1rjf h GLU 298 N 0.45 0.61 -0.02 4.77 4.39 -1.88 -2.98 114.58 119.91 1rjf h GLU 298 Ca 0.05 -0.47 -0.11 0.00 0.34 0.00 0.00 59.36 59.17 1rjf h GLU 298 Cb 0.77 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 1rjf h GLU 298 CO 0.06 1.09 -0.52 0.00 -1.16 0.00 0.00 179.01 178.48 1rjf h ARG 299 N 0.43 0.06 -0.08 2.33 3.08 -1.51 -2.68 114.38 116.02 1rjf h ARG 299 Ca -0.03 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 1rjf h ARG 299 Cb 1.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 1rjf h ARG 299 CO 0.13 0.57 -0.49 -0.22 -1.07 0.00 0.00 179.97 178.89 1rjf h LYS 300 N 0.05 0.20 -0.20 0.04 3.64 -1.52 -2.91 116.57 115.87 1rjf h LYS 300 Ca -0.00 -0.11 -0.18 0.00 -1.27 0.00 0.00 60.65 59.09 1rjf h LYS 300 Cb 0.94 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1rjf h LYS 300 CO 0.07 0.65 -0.60 -0.09 -2.27 0.00 0.00 179.45 177.21 1rjf h ARG 301 N 0.16 0.67 0.00 1.90 2.43 -1.33 -3.03 114.38 115.18 1rjf h ARG 301 Ca 0.01 -0.45 -0.10 0.00 -0.81 0.00 0.00 59.98 58.63 1rjf h ARG 301 Cb 0.93 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 1rjf h ARG 301 CO 0.07 1.07 -0.46 -0.07 -1.51 0.00 0.00 179.97 179.08 1rjf h LEU 302 N 0.50 0.00 -0.98 3.80 3.38 -1.49 -2.95 115.31 117.57 1rjf h LEU 302 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1rjf h LEU 302 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1rjf h LEU 302 CO 0.12 0.46 -0.46 0.03 0.09 0.00 0.00 178.44 178.67 1rjf h ARG 303 N 0.00 0.09 0.00 1.13 3.08 -1.46 -3.03 114.38 114.19 1rjf h ARG 303 Ca -0.00 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1rjf h ARG 303 Cb 0.99 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.04 1rjf h ARG 303 CO 0.06 0.54 -0.08 0.66 -1.07 0.00 0.00 179.97 180.08 1rjf h SER 304 N 0.08 0.00 0.00 7.04 4.64 -1.40 -3.35 113.55 120.57 1rjf h SER 304 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rjf h SER 304 Cb 0.85 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1rjf h SER 304 CO 0.06 0.08 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.03 1rjf h LEU 305 N 0.00 0.00 -8.47 5.97 3.38 -1.53 -3.49 115.31 111.17 1rjf h LEU 305 Ca -0.00 -0.05 -0.23 0.00 0.09 0.00 0.00 57.88 57.68 1rjf h LEU 305 Cb 0.77 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.38 1rjf h LEU 305 CO 0.01 0.53 -0.70 -1.10 0.09 0.00 0.00 178.44 177.28 1rjf s GLN 306 N -1.60 0.87 -0.50 1.13 -0.21 -1.20 -5.11 119.66 113.03 1rjf s GLN 306 Ca -0.01 -1.36 -0.25 0.00 0.02 0.00 0.00 55.36 53.76 1rjf s GLN 306 Cb -0.00 -0.23 0.03 0.00 1.00 0.00 0.00 33.01 33.81 1rjf s GLN 306 CO 0.04 -0.02 0.93 -0.06 -2.12 0.00 0.00 175.29 174.06 1rjf s PHE 307 N -3.61 2.86 -1.04 0.91 0.40 -1.26 -4.59 117.98 111.66 1rjf s PHE 307 Ca 0.13 0.21 -0.18 0.00 -0.60 0.00 0.00 56.93 56.49 1rjf s PHE 307 Cb 0.05 -4.01 0.12 0.00 0.51 0.00 0.00 43.02 39.69 1rjf s PHE 307 CO -0.04 -1.21 1.31 -1.17 0.70 0.00 0.00 175.22 174.81 1rjf s LEU 308 N 3.84 4.65 0.09 -0.37 2.96 -1.26 -4.83 118.68 123.75 1rjf s LEU 308 Ca 0.34 -2.16 -0.16 0.00 -0.22 0.00 0.00 54.13 51.93 1rjf s LEU 308 Cb -0.11 -2.45 -0.08 0.00 0.50 0.00 0.00 46.19 44.05 1rjf s LEU 308 CO 0.23 -1.09 1.45 0.44 -1.32 0.00 0.00 176.35 176.06 1rjf h ASP 309 N 8.57 0.64 -3.90 3.68 3.32 -2.00 -3.39 116.42 123.35 1rjf h ASP 309 Ca 0.22 -0.42 -0.73 0.00 0.02 0.00 0.00 57.03 56.13 1rjf h ASP 309 Cb 0.98 -0.18 -0.32 0.00 0.22 0.00 0.00 39.33 40.03 1rjf h ASP 309 CO 1.23 0.92 -0.25 -1.61 -1.72 0.00 0.00 179.24 177.82 1rjf s GLU 310 N -4.56 2.82 0.29 3.56 0.41 -1.26 -4.90 118.70 115.07 1rjf s GLU 310 Ca -0.13 -2.37 0.14 0.00 -0.41 0.00 0.00 54.97 52.21 1rjf s GLU 310 Cb 0.08 -3.95 0.35 0.00 -1.78 0.00 0.00 34.13 28.83 1rjf s GLU 310 CO 0.80 -1.21 1.58 1.25 -0.49 0.00 0.00 175.26 177.19 1rjf h LEU 311 N 7.50 0.00 -0.62 1.80 5.85 -2.00 -2.98 115.31 124.85 1rjf h LEU 311 Ca -0.02 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.55 1rjf h LEU 311 Cb 1.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1rjf h LEU 311 CO 0.75 0.55 -0.64 -0.08 -0.34 0.00 0.00 178.44 178.67 1rjf h GLU 312 N 0.00 0.19 0.00 1.25 4.57 -1.97 -2.37 114.58 116.24 1rjf h GLU 312 Ca -0.01 -0.14 -0.08 0.00 -1.18 0.00 0.00 59.36 57.95 1rjf h GLU 312 Cb 1.17 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 1rjf h GLU 312 CO 0.07 0.77 -0.39 0.93 -1.18 0.00 0.00 179.01 179.21 1rjf h GLU 313 N 0.13 0.00 -0.01 1.92 5.08 -1.95 -1.89 114.58 117.86 1rjf h GLU 313 Ca -0.01 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 1rjf h GLU 313 Cb 1.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1rjf h GLU 313 CO 0.10 0.39 -0.71 1.25 -1.00 0.00 0.00 179.01 179.03 1rjf h LEU 314 N 0.00 0.07 -0.32 1.33 5.85 -1.36 -3.01 115.31 117.88 1rjf h LEU 314 Ca -0.00 -0.05 -0.20 0.00 0.84 0.00 0.00 57.88 58.47 1rjf h LEU 314 Cb 0.83 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 1rjf h LEU 314 CO 0.05 0.76 -0.81 0.50 -0.34 0.00 0.00 178.44 178.60 1rjf h LYS 315 N 0.04 0.40 -0.21 1.25 3.64 -1.09 -2.10 116.57 118.50 1rjf h LYS 315 Ca -0.01 -0.36 -0.14 0.00 -1.27 0.00 0.00 60.65 58.86 1rjf h LYS 315 Cb 1.26 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 1rjf h LYS 315 CO 0.10 1.02 -0.47 0.28 -2.27 0.00 0.00 179.45 178.11 1rjf h VAL 316 N 0.25 1.31 0.00 2.00 2.07 -1.39 -2.49 116.25 118.01 1rjf h VAL 316 Ca -0.05 -1.67 -0.10 0.00 0.82 0.00 0.00 66.70 65.69 1rjf h VAL 316 Cb 1.41 1.66 0.01 0.00 -1.52 0.00 0.00 31.29 32.85 1rjf h VAL 316 CO 0.14 0.52 -0.41 -0.03 0.02 0.00 0.00 177.57 177.81 1rjf h MET 317 N 0.43 0.27 0.00 1.57 1.85 -1.57 -3.35 114.93 114.12 1rjf h MET 317 Ca 0.02 -0.30 0.00 0.00 -0.61 0.00 0.00 59.70 58.82 1rjf h MET 317 Cb 0.98 0.09 0.00 0.00 0.43 0.00 0.00 31.60 33.10 1rjf h MET 317 CO 0.09 1.01 -0.08 1.96 -0.40 0.00 0.00 176.91 179.49 1rjf h GLN 318 N -0.35 0.00 0.00 0.39 1.08 -1.41 -2.55 115.11 112.27 1rjf h GLN 318 Ca -0.05 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1rjf h GLN 318 Cb 1.16 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.59 1rjf h GLN 318 CO 0.08 0.00 -0.02 1.79 -0.95 0.00 0.00 178.83 179.73 1rjf h THR 319 N 0.00 0.04 -0.64 -0.54 1.35 -1.61 -2.23 112.91 109.27 1rjf h THR 319 Ca 0.00 -0.77 -0.26 0.00 -0.55 0.00 0.00 66.41 64.83 1rjf h THR 319 Cb 0.91 1.74 -0.16 0.00 -1.73 0.00 0.00 68.15 68.91 1rjf h THR 319 CO 0.00 0.02 0.33 1.41 -0.25 0.00 0.00 175.52 177.03 1rjf n HIS 320 N -3.11 2.05 -4.07 4.73 8.25 -0.96 -4.83 115.22 117.28 1rjf n HIS 320 Ca 0.02 -1.20 -0.10 0.00 -0.26 0.00 0.00 57.72 56.19 1rjf n HIS 320 Cb 0.41 -0.65 -0.11 0.00 1.12 0.00 0.00 29.99 30.76 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 -2.40 0.56 0.18 4.41 1.51 -1.12 -2.36 117.35 118.14 1rjf s TYR 321 Ca 0.42 -0.77 -0.04 0.00 -1.01 0.00 0.00 57.07 55.66 1rjf s TYR 321 Cb 0.34 -0.37 -0.03 0.00 -0.11 0.00 0.00 41.96 41.80 1rjf s TYR 321 CO 0.09 -0.22 0.19 0.96 -1.11 0.00 0.00 175.55 175.47 1rjf s ILE 322 N -2.65 0.04 -0.26 2.71 -5.25 -0.74 -2.37 121.20 112.69 1rjf s ILE 322 Ca -0.02 -1.75 -0.04 0.00 -0.99 0.00 0.00 60.65 57.85 1rjf s ILE 322 Cb -0.01 -2.17 0.09 0.00 2.95 0.00 0.00 42.46 43.32 1rjf s ILE 322 CO -0.04 -0.20 0.15 -0.22 -1.79 0.00 0.00 174.94 172.83 1rjf s LEU 323 N -3.06 0.35 -0.01 0.37 2.96 -0.96 -3.40 118.68 114.92 1rjf s LEU 323 Ca 0.27 -0.99 -0.11 0.00 -0.22 0.00 0.00 54.13 53.08 1rjf s LEU 323 Cb 0.05 -0.16 -0.05 0.00 0.50 0.00 0.00 46.19 46.53 1rjf s LEU 323 CO 0.06 -0.40 0.33 -0.32 -1.32 0.00 0.00 176.35 174.69 1rjf s MET 324 N 2.16 3.74 -0.43 1.98 -2.45 -0.93 -3.22 119.30 120.14 1rjf s MET 324 Ca 0.07 0.19 0.02 0.00 -1.25 0.00 0.00 55.69 54.73 1rjf s MET 324 Cb -0.16 -3.16 0.15 0.00 1.25 0.00 0.00 34.83 32.91 1rjf s MET 324 CO -0.28 0.68 0.28 0.15 1.05 0.00 0.00 175.02 176.90 1rjf s LYS 325 N -1.29 1.05 0.25 4.11 1.02 -0.80 -2.45 119.74 121.62 1rjf s LYS 325 Ca 0.24 -1.93 -0.19 0.00 0.02 0.00 0.00 55.97 54.11 1rjf s LYS 325 Cb -0.15 -1.85 -0.08 0.00 -0.52 0.00 0.00 37.83 35.23 1rjf s LYS 325 CO 0.12 -1.25 0.74 0.00 -0.92 0.00 0.00 175.35 174.04 1rjf s ALA 326 N 0.35 3.38 -0.07 5.17 0.00 -1.03 -2.95 121.76 126.61 1rjf s ALA 326 Ca 0.22 0.16 -0.03 0.00 0.00 0.00 0.00 51.96 52.31 1rjf s ALA 326 Cb -0.15 -2.83 0.04 0.00 0.00 0.00 0.00 23.12 20.19 1rjf s ALA 326 CO -0.06 0.32 0.16 -0.65 0.00 0.00 0.00 175.76 175.52 1rjf s GLN 327 N -2.20 0.09 0.12 0.00 -0.21 -0.61 -1.63 119.66 115.23 1rjf s GLN 327 Ca 0.46 0.42 0.04 0.00 0.02 0.00 0.00 55.36 56.31 1rjf s GLN 327 Cb -0.15 -0.19 -0.04 0.00 1.00 0.00 0.00 33.01 33.63 1rjf s GLN 327 CO 0.20 -0.19 -0.11 1.67 -2.12 0.00 0.00 175.29 174.74 1rjf s TRP 328 N 1.41 1.22 0.00 0.91 -2.14 -1.22 -3.17 118.94 115.94 1rjf s TRP 328 Ca -0.07 -0.68 0.00 0.00 2.66 0.00 0.00 56.10 58.01 1rjf s TRP 328 Cb -0.12 -0.64 0.00 0.00 -3.10 0.00 0.00 33.47 29.62 1rjf s TRP 328 CO -0.06 0.07 0.00 1.58 -2.66 0.00 0.00 176.95 175.87