#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rje h ARG 3 N 0.00 0.71 -0.34 5.31 2.43 -2.02 -3.14 114.38 117.33 1rje h ARG 3 Ca 0.00 -0.48 -0.11 0.00 -0.81 0.00 0.00 59.98 58.58 1rje h ARG 3 Cb 0.00 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1rje h ARG 3 CO 0.00 1.10 -0.24 0.82 -1.51 0.00 0.00 179.97 180.14 1rje h ILE 4 N 0.54 1.27 -0.08 1.20 2.04 -1.94 -2.34 117.51 118.21 1rje h ILE 4 Ca -0.00 -1.33 -0.13 0.00 1.00 0.00 0.00 64.86 64.40 1rje h ILE 4 Cb 1.18 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1rje h ILE 4 CO 0.12 0.44 -0.53 0.40 0.00 0.00 0.00 178.15 178.58 1rje h ILE 5 N 0.60 1.36 0.00 -0.67 2.04 -1.94 -2.78 117.51 116.11 1rje h ILE 5 Ca 0.08 -1.80 -0.07 0.00 1.00 0.00 0.00 64.86 64.07 1rje h ILE 5 Cb 0.73 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 1rje h ILE 5 CO 0.06 0.53 -0.35 1.56 0.00 0.00 0.00 178.15 179.95 1rje h GLN 6 N 0.16 0.00 -0.00 2.37 4.20 -1.45 -3.13 115.11 117.26 1rje h GLN 6 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1rje h GLN 6 Cb 0.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1rje h GLN 6 CO 0.08 0.35 -0.05 1.04 -0.67 0.00 0.00 178.83 179.58 1rje n GLN 7 N -3.59 0.90 0.23 1.46 6.02 -0.90 -3.07 117.38 118.42 1rje n GLN 7 Ca -0.01 -0.25 0.15 0.00 -0.01 0.00 0.00 57.00 56.89 1rje n GLN 7 Cb 0.47 -1.49 0.52 0.00 1.02 0.00 0.00 30.24 30.76 1rje n GLN 7 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1rje h THR 8 N 0.61 0.00 0.00 5.09 1.35 -1.52 -2.96 112.91 115.48 1rje h THR 8 Ca 0.00 -0.57 -0.08 0.00 -0.55 0.00 0.00 66.41 65.22 1rje h THR 8 Cb 0.27 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 1rje h THR 8 CO 0.00 0.00 -0.36 -0.78 -0.25 0.00 0.00 175.52 174.13 1rje h ASP 9 N 0.00 0.00 0.13 5.36 3.58 -1.76 -2.72 116.42 121.02 1rje h ASP 9 Ca 0.00 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 1rje h ASP 9 Cb 0.61 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 1rje h ASP 9 CO 0.00 0.36 -0.20 1.88 -2.88 0.00 0.00 179.24 178.40 1rje h TYR 10 N 0.00 0.15 0.01 0.28 0.99 -1.73 -0.84 116.97 115.83 1rje h TYR 10 Ca -0.00 -0.02 -0.22 0.00 2.00 0.00 0.00 58.73 60.49 1rje h TYR 10 Cb 0.79 -0.04 -0.03 0.00 1.00 0.00 0.00 36.73 38.45 1rje h TYR 10 CO 0.00 0.35 -1.03 -0.44 -0.00 0.00 0.00 178.16 177.03 1rje h ASP 11 N 0.13 0.04 0.87 3.88 3.32 -1.65 -2.62 116.42 120.40 1rje h ASP 11 Ca 0.02 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 1rje h ASP 11 Cb 0.44 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1rje h ASP 11 CO 0.03 1.04 -0.44 0.00 -1.72 0.00 0.00 179.24 178.15 1rje h ALA 12 N 0.96 0.95 0.00 3.45 0.00 -1.16 -2.36 119.26 121.10 1rje h ALA 12 Ca -0.03 -0.40 -0.21 0.00 0.00 0.00 0.00 54.91 54.28 1rje h ALA 12 Cb 1.79 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.48 1rje h ALA 12 CO 0.14 0.55 -1.20 1.25 0.00 0.00 0.00 179.25 179.99 1rje h LEU 13 N 0.00 0.00 -0.69 0.00 5.85 -1.21 -3.00 115.31 116.26 1rje h LEU 13 Ca -0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 1rje h LEU 13 Cb 0.99 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1rje h LEU 13 CO 0.06 0.83 -0.62 0.28 -0.34 0.00 0.00 178.44 178.65 1rje h SER 14 N 0.00 0.16 -0.35 1.25 0.02 -1.38 -2.16 113.55 111.08 1rje h SER 14 Ca -0.12 -0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 60.65 1rje h SER 14 Cb 1.74 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 64.22 1rje h SER 14 CO 0.09 0.74 -0.14 0.00 -1.14 0.00 0.00 176.83 176.37 1rje h LYS 16 N 0.50 0.81 0.00 0.00 1.63 -1.40 -2.53 116.57 115.59 1rje h LYS 16 Ca 0.08 -0.27 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 1rje h LYS 16 Cb 0.67 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 1rje h LYS 16 CO 0.05 0.89 -0.08 -0.07 -3.45 0.00 0.00 179.45 176.78 1rje h LEU 17 N 0.65 0.00 0.04 5.20 3.38 -1.48 -2.80 115.31 120.31 1rje h LEU 17 Ca 0.12 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.85 1rje h LEU 17 Cb 0.54 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1rje h LEU 17 CO 0.03 0.00 -1.13 0.00 0.09 0.00 0.00 178.44 177.43 1rje h ALA 18 N 2.18 0.29 0.00 1.53 0.00 -1.38 -2.80 119.26 119.09 1rje h ALA 18 Ca 0.00 -0.94 -0.23 0.00 0.00 0.00 0.00 54.91 53.74 1rje h ALA 18 Cb 0.91 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.65 1rje h ALA 18 CO 0.00 1.18 -0.97 0.00 0.00 0.00 0.00 179.25 179.46 1rje h ALA 19 N 0.85 0.32 -0.08 0.00 0.00 -1.43 -3.03 119.26 115.88 1rje h ALA 19 Ca -0.07 -0.71 -0.17 0.00 0.00 0.00 0.00 54.91 53.96 1rje h ALA 19 Cb 1.85 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1rje h ALA 19 CO 0.15 0.80 -0.67 0.82 0.00 0.00 0.00 179.25 180.35 1rje h ILE 20 N 0.25 1.39 -0.40 0.00 2.04 -1.59 -1.71 117.51 117.49 1rje h ILE 20 Ca -0.09 -2.08 -0.13 0.00 1.00 0.00 0.00 64.86 63.55 1rje h ILE 20 Cb 1.61 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 39.74 1rje h ILE 20 CO 0.17 0.62 -0.28 -1.28 0.00 0.00 0.00 178.15 177.38 1rje h SER 21 N 0.24 0.89 0.97 1.72 0.87 -1.56 -2.87 113.55 113.80 1rje h SER 21 Ca -0.02 -0.35 -0.07 0.00 -1.23 0.00 0.00 61.79 60.11 1rje h SER 21 Cb 1.22 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 1rje h SER 21 CO 0.11 1.11 -0.35 0.58 -0.53 0.00 0.00 176.83 177.75 1rje h VAL 22 N 0.73 0.78 0.00 2.23 2.07 -1.52 -3.47 116.25 117.06 1rje h VAL 22 Ca 0.08 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.10 1rje h VAL 22 Cb 0.83 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1rje h VAL 22 CO 0.07 0.34 0.00 0.61 0.02 0.00 0.00 177.57 178.61 1rje n GLY 23 N 0.35 0.78 0.36 2.17 0.00 -0.93 -4.75 105.19 103.17 1rje n GLY 23 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1rje n GLY 23 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1rje h TYR 24 N 0.00 1.11 -3.67 1.61 0.99 -1.59 -3.40 116.97 112.02 1rje h TYR 24 Ca 0.00 0.03 -0.67 0.00 2.00 0.00 0.00 58.73 60.09 1rje h TYR 24 Cb 0.00 -0.35 -0.18 0.00 1.00 0.00 0.00 36.73 37.21 1rje h TYR 24 CO 0.00 0.40 -0.77 -0.51 -0.00 0.00 0.00 178.16 177.28 1rje s LEU 25 N -10.25 2.86 0.48 3.88 1.43 -1.13 -4.10 118.68 111.85 1rje s LEU 25 Ca -0.12 -0.45 -0.18 0.00 -1.03 0.00 0.00 54.13 52.35 1rje s LEU 25 Cb 0.23 -1.68 -0.09 0.00 0.03 0.00 0.00 46.19 44.67 1rje s LEU 25 CO 0.81 0.19 0.96 -2.16 0.23 0.00 0.00 176.35 176.38 1rje s PRO 26 N -2.06 4.05 -0.42 1.29 0.04 -1.26 -4.26 135.00 132.38 1rje s PRO 26 Ca 0.19 1.00 -0.15 0.00 0.04 0.00 0.00 61.00 62.08 1rje s PRO 26 Cb -0.11 -2.16 0.03 0.00 0.04 0.00 0.00 34.50 32.30 1rje s PRO 26 CO 0.11 -0.17 0.31 0.45 0.04 0.00 0.00 177.00 177.74 1rje s SER 27 N -2.73 6.10 0.51 6.66 0.15 -1.26 -4.97 113.70 118.16 1rje s SER 27 Ca 0.60 -0.95 0.29 0.00 0.70 0.00 0.00 55.95 56.58 1rje s SER 27 Cb -0.10 -2.16 1.34 0.00 -1.71 0.00 0.00 66.02 63.40 1rje s SER 27 CO 0.24 -0.47 2.00 0.77 1.20 0.00 0.00 173.24 176.98 1rje h SER 28 N 8.64 0.00 0.03 5.45 4.64 -1.95 -2.49 113.55 127.87 1rje h SER 28 Ca -0.27 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1rje h SER 28 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1rje h SER 28 CO 0.74 0.13 -0.02 1.23 -0.87 0.00 0.00 176.83 178.04 1rje h GLY 29 N 1.39 -0.05 0.69 -0.77 0.00 -1.93 -2.65 103.07 99.76 1rje h GLY 29 Ca -0.00 0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.22 1rje h GLY 29 CO 0.02 -0.02 -0.47 1.41 0.00 0.00 0.00 176.54 177.48 1rje h LEU 30 N -0.98 0.44 -0.32 3.11 3.38 -1.97 -3.08 115.31 115.88 1rje h LEU 30 Ca -0.00 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1rje h LEU 30 Cb 0.47 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1rje h LEU 30 CO 0.01 1.13 0.00 0.00 0.09 0.00 0.00 178.44 179.66 1rje n GLN 31 N -4.32 0.18 -3.43 1.13 6.02 -0.94 -4.63 117.38 111.39 1rje n GLN 31 Ca -0.10 0.30 -0.19 0.00 -0.01 0.00 0.00 57.00 57.00 1rje n GLN 31 Cb 0.61 -1.78 0.08 0.00 1.02 0.00 0.00 30.24 30.17 1rje n GLN 31 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1rje n ARG 32 N -2.10 -6.84 -3.45 -1.09 1.74 -1.12 -5.00 116.66 98.79 1rje n ARG 32 Ca 0.04 0.78 -0.34 0.00 -0.77 0.00 0.00 57.85 57.57 1rje n ARG 32 Cb 0.30 -5.66 -0.05 0.00 -1.02 0.00 0.00 32.46 26.03 1rje n ARG 32 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1rje s LEU 33 N -6.49 4.28 0.00 0.55 1.43 -1.01 -5.03 118.68 112.41 1rje s LEU 33 Ca 0.28 0.92 -0.06 0.00 -1.03 0.00 0.00 54.13 54.24 1rje s LEU 33 Cb -0.12 -3.34 0.09 0.00 0.03 0.00 0.00 46.19 42.84 1rje s LEU 33 CO 0.68 0.06 0.44 -1.54 0.23 0.00 0.00 176.35 176.22 1rje n SER 34 N 0.46 -0.35 -0.07 2.29 3.41 -1.26 -4.78 113.62 113.32 1rje n SER 34 Ca -0.04 -1.05 -0.12 0.00 -0.26 0.00 0.00 58.87 57.40 1rje n SER 34 Cb 0.52 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1rje n SER 34 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1rje h VAL 35 N -1.45 1.28 0.13 -3.33 2.07 -1.99 -2.25 116.25 110.72 1rje h VAL 35 Ca -0.15 -1.65 -0.28 0.00 0.82 0.00 0.00 66.70 65.45 1rje h VAL 35 Cb 0.42 1.54 0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1rje h VAL 35 CO 0.10 0.54 -1.25 0.44 0.02 0.00 0.00 177.57 177.42 1rje h ASP 36 N 0.64 0.44 1.63 0.57 3.32 -1.99 -3.10 116.42 117.93 1rje h ASP 36 Ca 0.04 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1rje h ASP 36 Cb 1.04 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1rje h ASP 36 CO 0.10 1.37 0.00 -0.07 -1.72 0.00 0.00 179.24 178.92 1rje h LEU 37 N 0.08 0.00 0.13 1.55 3.38 -1.92 -0.66 115.31 117.87 1rje h LEU 37 Ca -0.14 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.53 1rje h LEU 37 Cb 1.98 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.76 1rje h LEU 37 CO 0.21 0.00 -1.29 0.28 0.09 0.00 0.00 178.44 177.73 1rje h SER 38 N 0.00 0.81 0.22 -0.43 0.02 -1.47 -2.05 113.55 110.65 1rje h SER 38 Ca 0.00 -0.78 -0.11 0.00 -0.84 0.00 0.00 61.79 60.06 1rje h SER 38 Cb 0.82 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1rje h SER 38 CO 0.00 1.59 -0.41 0.50 -1.14 0.00 0.00 176.83 177.37 1rje h LYS 39 N 0.23 0.25 0.00 3.45 3.64 -1.45 -3.04 116.57 119.65 1rje h LYS 39 Ca -0.19 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.01 1rje h LYS 39 Cb 1.96 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.77 1rje h LYS 39 CO 0.24 0.62 -0.27 0.87 -2.27 0.00 0.00 179.45 178.63 1rje h LYS 40 N 0.21 0.00 -0.41 1.90 1.79 -1.16 -2.82 116.57 116.08 1rje h LYS 40 Ca 0.02 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.42 1rje h LYS 40 Cb 0.81 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.45 1rje h LYS 40 CO 0.06 0.27 -0.02 -0.92 -1.08 0.00 0.00 179.45 177.77 1rje h TYR 41 N 0.00 0.80 -0.03 -1.35 3.20 -1.25 -0.86 116.97 117.49 1rje h TYR 41 Ca -0.00 -0.14 -0.17 0.00 3.14 0.00 0.00 58.73 61.55 1rje h TYR 41 Cb 1.20 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 1rje h TYR 41 CO 0.00 0.81 -0.75 1.15 -1.64 0.00 0.00 178.16 177.73 1rje h THR 42 N 0.55 1.45 0.00 1.81 2.02 -1.61 -3.14 112.91 114.00 1rje h THR 42 Ca 0.11 -2.34 -0.10 0.00 0.77 0.00 0.00 66.41 64.85 1rje h THR 42 Cb 0.51 2.26 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 1rje h THR 42 CO 0.02 0.68 -0.49 -0.33 0.37 0.00 0.00 175.52 175.78 1rje h GLU 43 N 0.13 0.00 0.17 6.66 5.08 -1.36 -2.41 114.58 122.84 1rje h GLU 43 Ca -0.02 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.04 1rje h GLU 43 Cb 1.32 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.59 1rje h GLU 43 CO 0.11 0.49 -1.32 -1.49 -1.00 0.00 0.00 179.01 175.81 1rje h TRP 44 N 0.00 0.70 0.00 4.33 6.55 -1.22 -2.88 115.95 123.43 1rje h TRP 44 Ca -0.00 -0.50 -0.17 0.00 0.95 0.00 0.00 58.89 59.17 1rje h TRP 44 Cb 1.21 -0.03 -0.02 0.00 -0.86 0.00 0.00 29.16 29.46 1rje h TRP 44 CO 0.00 1.38 -0.80 0.45 -1.05 0.00 0.00 178.44 178.42 1rje h HIS 45 N 0.12 0.00 -0.06 0.49 3.86 -1.57 -2.11 115.15 115.88 1rje h HIS 45 Ca -0.18 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 58.85 1rje h HIS 45 Cb 2.02 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.49 1rje h HIS 45 CO 0.09 0.80 -0.75 0.00 0.86 0.00 0.00 177.93 178.93 1rje h ARG 46 N 0.00 0.35 0.00 2.45 3.08 -1.53 -2.92 114.38 115.81 1rje h ARG 46 Ca -0.01 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1rje h ARG 46 Cb 1.43 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.55 1rje h ARG 46 CO 0.10 0.95 0.00 1.03 -1.07 0.00 0.00 179.97 180.99 1rje h SER 47 N 0.23 0.00 0.78 7.04 0.87 -1.47 -2.88 113.55 118.12 1rje h SER 47 Ca -0.03 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.28 1rje h SER 47 Cb 1.33 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.27 1rje h SER 47 CO 0.13 0.00 -1.21 0.22 -0.53 0.00 0.00 176.83 175.44 1rje h TYR 48 N 0.00 0.19 0.04 2.24 3.20 -1.30 -2.91 116.97 118.43 1rje h TYR 48 Ca 0.00 -0.14 -0.27 0.00 3.14 0.00 0.00 58.73 61.46 1rje h TYR 48 Cb 0.78 -0.01 0.02 0.00 1.54 0.00 0.00 36.73 39.06 1rje h TYR 48 CO 0.00 1.12 -1.09 1.25 -1.64 0.00 0.00 178.16 177.80 1rje h LEU 49 N 0.03 0.81 -0.57 2.82 5.85 -1.51 -2.33 115.31 120.41 1rje h LEU 49 Ca -0.10 -0.69 -0.12 0.00 0.84 0.00 0.00 57.88 57.81 1rje h LEU 49 Cb 1.88 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.64 1rje h LEU 49 CO 0.15 1.49 -0.18 0.40 -0.34 0.00 0.00 178.44 179.96 1rje h ILE 50 N 0.32 1.27 0.00 4.05 2.04 -1.63 -2.79 117.51 120.77 1rje h ILE 50 Ca -0.14 -1.33 -0.09 0.00 1.00 0.00 0.00 64.86 64.30 1rje h ILE 50 Cb 1.75 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 1rje h ILE 50 CO 0.21 0.46 -0.44 0.74 0.00 0.00 0.00 178.15 179.11 1rje h THR 51 N 0.84 0.97 0.00 -0.27 2.02 -1.58 -2.89 112.91 112.00 1rje h THR 51 Ca 0.12 -1.75 -0.10 0.00 0.77 0.00 0.00 66.41 65.45 1rje h THR 51 Cb 0.74 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 69.18 1rje h THR 51 CO 0.06 0.43 -0.46 0.25 0.37 0.00 0.00 175.52 176.17 1rje h LEU 52 N 0.00 0.00 -0.52 2.58 5.85 -1.24 -2.76 115.31 119.21 1rje h LEU 52 Ca -0.00 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 1rje h LEU 52 Cb 1.01 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1rje h LEU 52 CO 0.06 0.46 -0.52 0.50 -0.34 0.00 0.00 178.44 178.60 1rje h LYS 53 N 0.00 0.59 -0.36 1.25 3.64 -1.29 -1.81 116.57 118.59 1rje h LYS 53 Ca -0.00 -0.36 -0.06 0.00 -1.27 0.00 0.00 60.65 58.96 1rje h LYS 53 Cb 0.85 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 1rje h LYS 53 CO 0.06 0.97 -0.01 -0.22 -2.27 0.00 0.00 179.45 177.98 1rje h LYS 54 N 0.46 0.58 0.00 1.90 3.64 -1.37 -3.19 116.57 118.59 1rje h LYS 54 Ca 0.02 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1rje h LYS 54 Cb 1.06 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1rje h LYS 54 CO 0.10 0.61 -0.98 1.19 -2.27 0.00 0.00 179.45 178.10 1rje n PHE 55 N -4.26 0.08 -3.58 1.91 3.72 -1.06 -4.94 117.46 109.33 1rje n PHE 55 Ca 0.02 0.02 -0.02 0.00 -0.05 0.00 0.00 57.45 57.42 1rje n PHE 55 Cb 0.26 -0.21 -0.06 0.00 -0.94 0.00 0.00 39.48 38.54 1rje n PHE 55 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1rje s SER 56 N -3.38 -0.69 0.05 4.37 0.15 -0.69 -5.03 113.70 108.49 1rje s SER 56 Ca 0.06 1.03 0.01 0.00 0.70 0.00 0.00 55.95 57.74 1rje s SER 56 Cb 0.16 1.51 -0.26 0.00 -1.71 0.00 0.00 66.02 65.72 1rje s SER 56 CO 0.82 -0.15 1.02 -0.09 1.20 0.00 0.00 173.24 176.03 1rje h ARG 57 N 6.89 0.17 -0.07 5.44 2.43 -1.82 -3.08 114.38 124.33 1rje h ARG 57 Ca -0.23 -0.29 -0.24 0.00 -0.81 0.00 0.00 59.98 58.40 1rje h ARG 57 Cb 1.16 0.11 0.01 0.00 -0.42 0.00 0.00 29.97 30.84 1rje h ARG 57 CO 0.14 1.05 -0.90 -0.09 -1.51 0.00 0.00 179.97 178.66 1rje h ARG 58 N 0.05 0.72 -0.12 0.20 2.43 -1.95 -1.81 114.38 113.89 1rje h ARG 58 Ca -0.16 -0.67 -0.21 0.00 -0.81 0.00 0.00 59.98 58.12 1rje h ARG 58 Cb 1.94 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 31.67 1rje h ARG 58 CO 0.16 1.27 -0.77 0.00 -1.51 0.00 0.00 179.97 179.12 1rje h ALA 59 N 0.52 0.41 0.00 2.80 0.00 -1.91 -2.68 119.26 118.40 1rje h ALA 59 Ca -0.09 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.15 1rje h ALA 59 Cb 1.54 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1rje h ALA 59 CO 0.18 0.71 -0.34 0.35 0.00 0.00 0.00 179.25 180.15 1rje h PHE 60 N 0.44 0.00 -0.09 0.00 3.57 -1.62 -2.72 116.94 116.52 1rje h PHE 60 Ca -0.05 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.26 1rje h PHE 60 Cb 1.38 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.12 1rje h PHE 60 CO 0.07 0.34 -0.75 0.78 -2.23 0.00 0.00 178.31 176.52 1rje h GLY 61 N 1.94 0.57 1.93 2.40 0.00 -1.19 -1.50 103.07 107.22 1rje h GLY 61 Ca -0.00 -0.81 -0.20 0.00 0.00 0.00 0.00 47.33 46.32 1rje h GLY 61 CO 0.04 0.72 -0.94 0.50 0.00 0.00 0.00 176.54 176.87 1rje h LYS 62 N 0.35 0.06 0.08 4.80 1.57 -1.48 -2.91 116.57 119.04 1rje h LYS 62 Ca -0.04 -0.08 -0.26 0.00 -1.87 0.00 0.00 60.65 58.40 1rje h LYS 62 Cb 1.35 0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.69 1rje h LYS 62 CO 0.14 0.95 -1.14 0.28 -0.57 0.00 0.00 179.45 179.11 1rje h VAL 63 N 0.02 1.42 0.05 0.50 2.07 -1.49 -3.10 116.25 115.73 1rje h VAL 63 Ca -0.03 -2.72 -0.26 0.00 0.82 0.00 0.00 66.70 64.51 1rje h VAL 63 Cb 1.63 2.71 0.01 0.00 -1.52 0.00 0.00 31.29 34.12 1rje h VAL 63 CO 0.13 0.81 -1.09 -0.78 0.02 0.00 0.00 177.57 176.66 1rje h ASP 64 N 0.17 0.70 -0.31 0.57 3.58 -1.35 -2.40 116.42 117.36 1rje h ASP 64 Ca -0.13 -0.60 -0.15 0.00 0.42 0.00 0.00 57.03 56.57 1rje h ASP 64 Cb 1.82 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 42.65 1rje h ASP 64 CO 0.20 1.42 -0.39 0.11 -2.88 0.00 0.00 179.24 177.69 1rje h LYS 65 N 0.26 0.82 -0.03 0.28 1.57 -1.64 -2.79 116.57 115.03 1rje h LYS 65 Ca -0.13 -0.46 -0.12 0.00 -1.87 0.00 0.00 60.65 58.07 1rje h LYS 65 Cb 1.75 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 34.07 1rje h LYS 65 CO 0.20 1.10 -0.55 0.00 -0.57 0.00 0.00 179.45 179.63 1rje h ALA 66 N 0.71 1.03 -0.42 3.86 0.00 -1.62 -2.79 119.26 120.03 1rje h ALA 66 Ca 0.04 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 1rje h ALA 66 Cb 0.98 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1rje h ALA 66 CO 0.09 0.69 -0.31 1.98 0.00 0.00 0.00 179.25 181.71 1rje h MET 67 N 0.07 0.94 0.00 0.00 1.85 -1.39 -3.07 114.93 113.33 1rje h MET 67 Ca -0.00 -0.46 0.00 0.00 -0.61 0.00 0.00 59.70 58.63 1rje h MET 67 Cb 0.99 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.02 1rje h MET 67 CO 0.08 1.12 -0.08 0.54 -0.40 0.00 0.00 176.91 178.16 1rje n ARG 68 N -4.10 0.27 -0.85 0.39 1.74 -1.06 -3.39 116.66 109.66 1rje n ARG 68 Ca -0.01 0.20 0.07 0.00 -0.77 0.00 0.00 57.85 57.34 1rje n ARG 68 Cb 0.50 -1.80 0.39 0.00 -1.02 0.00 0.00 32.46 30.53 1rje n ARG 68 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1rje n SER 69 N -2.27 5.49 -4.90 0.55 3.41 -1.06 -4.97 113.62 109.88 1rje n SER 69 Ca 0.05 -2.86 -0.28 0.00 -0.26 0.00 0.00 58.87 55.52 1rje n SER 69 Cb 0.43 -0.67 -0.00 0.00 -0.26 0.00 0.00 64.21 63.71 1rje n SER 69 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1rje s SER 70 N -0.75 6.28 0.08 4.04 0.15 -1.21 -5.03 113.70 117.26 1rje s SER 70 Ca 0.52 1.06 0.01 0.00 0.70 0.00 0.00 55.95 58.24 1rje s SER 70 Cb 0.39 -2.31 -0.04 0.00 -1.71 0.00 0.00 66.02 62.36 1rje s SER 70 CO 0.16 -0.63 -0.05 0.72 1.20 0.00 0.00 173.24 174.64 1rje s PHE 71 N -2.81 0.78 0.47 3.44 -0.12 -1.26 -5.06 117.98 113.42 1rje s PHE 71 Ca 0.49 -0.96 0.34 0.00 -0.05 0.00 0.00 56.93 56.75 1rje s PHE 71 Cb -0.10 -0.48 1.48 0.00 -0.63 0.00 0.00 43.02 43.29 1rje s PHE 71 CO 0.46 -0.22 1.64 -1.35 -0.05 0.00 0.00 175.22 175.70 1rje h PRO 72 N 3.02 0.07 -0.27 1.99 0.11 -1.97 -1.05 132.00 133.91 1rje h PRO 72 Ca -0.35 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.69 1rje h PRO 72 Cb 1.16 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1rje h PRO 72 CO 0.65 0.05 -0.10 0.28 -0.21 0.00 0.00 178.00 178.67 1rje h VAL 73 N 0.08 1.29 -0.14 3.15 2.07 -1.95 -2.35 116.25 118.40 1rje h VAL 73 Ca 0.81 -1.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.08 1rje h VAL 73 Cb 2.73 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 33.98 1rje h VAL 73 CO -0.29 0.36 -0.33 0.24 0.02 0.00 0.00 177.57 177.57 1rje h MET 74 N 0.28 0.27 -0.03 1.57 2.86 -1.62 -2.66 114.93 115.59 1rje h MET 74 Ca 0.06 -0.11 -0.15 0.00 -2.06 0.00 0.00 59.70 57.44 1rje h MET 74 Cb 0.60 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1rje h MET 74 CO 0.03 0.58 -0.66 -0.91 1.06 0.00 0.00 176.91 177.01 1rje h ASN 75 N 0.24 0.18 0.62 1.22 2.35 -1.42 -2.25 115.58 116.52 1rje h ASN 75 Ca 0.03 -0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.56 1rje h ASN 75 Cb 0.70 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.01 1rje h ASN 75 CO 0.05 0.79 -0.54 1.88 -1.65 0.00 0.00 177.43 177.96 1rje h TYR 76 N 0.11 0.00 0.00 1.19 -1.99 -1.33 -2.27 116.97 112.68 1rje h TYR 76 Ca -0.01 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.59 1rje h TYR 76 Cb 1.19 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.90 1rje h TYR 76 CO 0.02 0.54 -0.63 0.78 -0.00 0.00 0.00 178.16 178.86 1rje h GLY 77 N 1.78 0.00 1.84 3.88 0.00 -1.22 -2.61 103.07 106.74 1rje h GLY 77 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1rje h GLY 77 CO 0.07 0.00 -0.87 -0.84 0.00 0.00 0.00 176.54 174.90 1rje h THR 78 N 0.00 1.19 -0.11 4.70 2.02 -1.30 -2.75 112.91 116.65 1rje h THR 78 Ca -0.01 -2.74 -0.11 0.00 0.77 0.00 0.00 66.41 64.32 1rje h THR 78 Cb 1.22 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 70.20 1rje h THR 78 CO 0.08 0.68 -0.38 0.22 0.37 0.00 0.00 175.52 176.49 1rje h TYR 79 N 0.00 0.60 -0.11 3.16 3.20 -1.37 -2.24 116.97 120.20 1rje h TYR 79 Ca -0.04 -0.24 -0.10 0.00 3.14 0.00 0.00 58.73 61.48 1rje h TYR 79 Cb 1.61 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.76 1rje h TYR 79 CO 0.00 0.99 -0.40 -0.07 -1.64 0.00 0.00 178.16 177.04 1rje h LEU 80 N 0.04 0.24 -0.95 2.82 3.38 -1.58 -2.08 115.31 117.18 1rje h LEU 80 Ca -0.01 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 1rje h LEU 80 Cb 1.00 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1rje h LEU 80 CO 0.08 0.62 -0.45 -0.09 0.09 0.00 0.00 178.44 178.69 1rje h ARG 81 N 0.20 0.16 0.00 1.13 2.43 -1.47 -2.12 114.38 114.71 1rje h ARG 81 Ca 0.02 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 58.99 1rje h ARG 81 Cb 0.79 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 1rje h ARG 81 CO 0.06 0.59 -0.65 1.15 -1.51 0.00 0.00 179.97 179.60 1rje h THR 82 N 0.13 1.13 0.00 0.20 2.02 -1.28 -3.30 112.91 111.82 1rje h THR 82 Ca 0.01 -2.09 0.00 0.00 0.77 0.00 0.00 66.41 65.10 1rje h THR 82 Cb 0.85 2.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 1rje h THR 82 CO 0.07 0.38 0.00 1.33 0.37 0.00 0.00 175.52 177.67 1rje n VAL 83 N -4.53 0.68 -0.05 3.16 0.24 -0.79 -1.49 118.33 115.54 1rje n VAL 83 Ca -0.20 -0.05 -0.14 0.00 -2.04 0.00 0.00 64.34 61.91 1rje n VAL 83 Cb 0.53 -0.83 -0.12 0.00 -1.47 0.00 0.00 33.84 31.95 1rje n VAL 83 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1rje h GLY 84 N 3.55 0.03 1.50 7.63 0.00 -1.55 -2.41 103.07 111.82 1rje h GLY 84 Ca 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 47.33 47.17 1rje h GLY 84 CO 0.00 0.05 -0.20 -2.22 0.00 0.00 0.00 176.54 174.17 1rje h ILE 85 N -0.80 1.26 -0.04 2.60 2.04 -1.62 -3.01 117.51 117.94 1rje h ILE 85 Ca -0.01 -1.23 -0.12 0.00 1.00 0.00 0.00 64.86 64.51 1rje h ILE 85 Cb 0.89 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1rje h ILE 85 CO 0.01 0.40 -0.52 0.44 0.00 0.00 0.00 178.15 178.48 1rje h ASP 86 N 0.52 0.11 0.13 1.72 3.32 -1.36 -2.34 116.42 118.52 1rje h ASP 86 Ca 0.08 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 1rje h ASP 86 Cb 0.64 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1rje h ASP 86 CO 0.05 0.61 -0.42 0.00 -1.72 0.00 0.00 179.24 177.76 1rje h ALA 87 N 1.39 1.00 0.01 3.45 0.00 -1.30 -1.98 119.26 121.83 1rje h ALA 87 Ca -0.00 -0.43 -0.20 0.00 0.00 0.00 0.00 54.91 54.28 1rje h ALA 87 Cb 0.94 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1rje h ALA 87 CO 0.07 0.62 -0.90 0.00 0.00 0.00 0.00 179.25 179.04 1rje h ALA 88 N 1.26 0.48 -0.07 0.00 0.00 -1.41 -3.09 119.26 116.43 1rje h ALA 88 Ca 0.03 -0.74 -0.09 0.00 0.00 0.00 0.00 54.91 54.11 1rje h ALA 88 Cb 0.86 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1rje h ALA 88 CO 0.07 0.93 -0.30 0.82 0.00 0.00 0.00 179.25 180.77 1rje h ILE 89 N 0.11 1.42 0.00 0.00 2.04 -1.34 -3.19 117.51 116.55 1rje h ILE 89 Ca -0.05 -1.69 -0.08 0.00 1.00 0.00 0.00 64.86 64.04 1rje h ILE 89 Cb 1.54 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 39.92 1rje h ILE 89 CO 0.14 0.49 -0.37 -0.07 0.00 0.00 0.00 178.15 178.34 1rje h LEU 90 N -0.16 0.00 -0.59 1.44 3.38 -1.46 -1.39 115.31 116.53 1rje h LEU 90 Ca -0.02 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1rje h LEU 90 Cb 0.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1rje h LEU 90 CO 0.06 0.37 -0.59 -0.33 0.09 0.00 0.00 178.44 178.04 1rje h GLU 91 N 0.00 0.37 0.00 1.13 5.08 -1.64 -2.77 114.58 116.75 1rje h GLU 91 Ca -0.00 -0.25 -0.18 0.00 -1.00 0.00 0.00 59.36 57.93 1rje h GLU 91 Cb 0.82 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 1rje h GLU 91 CO 0.05 0.85 -0.86 0.35 -1.00 0.00 0.00 179.01 178.40 1rje h PHE 92 N 0.28 0.00 0.00 4.33 3.57 -1.43 -3.06 116.94 120.63 1rje h PHE 92 Ca -0.00 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1rje h PHE 92 Cb 1.12 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 1rje h PHE 92 CO 0.03 0.86 -0.63 -0.07 -2.23 0.00 0.00 178.31 176.27 1rje h LEU 93 N 0.00 0.00 0.25 0.59 3.38 -1.29 -2.02 115.31 116.22 1rje h LEU 93 Ca -0.01 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.62 1rje h LEU 93 Cb 1.59 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.38 1rje h LEU 93 CO 0.11 0.27 -1.53 0.58 0.09 0.00 0.00 178.44 177.97 1rje h VAL 94 N 0.00 1.23 0.00 1.22 2.07 -1.59 -3.32 116.25 115.86 1rje h VAL 94 Ca -0.03 -2.67 -0.12 0.00 0.82 0.00 0.00 66.70 64.70 1rje h VAL 94 Cb 1.24 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 33.99 1rje h VAL 94 CO 0.03 0.82 -0.56 0.00 0.02 0.00 0.00 177.57 177.88 1rje h ALA 95 N 0.15 1.01 -3.40 1.67 0.00 -1.60 -3.41 119.26 113.67 1rje h ALA 95 Ca -0.27 -0.51 -0.57 0.00 0.00 0.00 0.00 54.91 53.56 1rje h ALA 95 Cb 2.17 -0.09 -0.38 0.00 0.00 0.00 0.00 17.79 19.49 1rje h ALA 95 CO 0.26 0.70 -0.79 -0.80 0.00 0.00 0.00 179.25 178.62 1rje s ASN 96 N -6.78 3.13 0.01 0.00 0.01 -0.76 -5.04 114.94 105.51 1rje s ASN 96 Ca -0.01 -0.82 -0.25 0.00 -0.71 0.00 0.00 52.86 51.07 1rje s ASN 96 Cb 0.12 -0.96 -0.16 0.00 0.41 0.00 0.00 41.25 40.66 1rje s ASN 96 CO 0.75 -0.21 1.23 -0.08 -1.51 0.00 0.00 177.10 177.27 1rje h GLU 97 N 8.08 -0.40 -5.69 -0.60 4.81 -1.81 -3.39 114.58 115.58 1rje h GLU 97 Ca -0.22 0.03 -0.63 0.00 -0.13 0.00 0.00 59.36 58.41 1rje h GLU 97 Cb 1.10 0.09 -0.13 0.00 0.63 0.00 0.00 28.75 30.44 1rje h GLU 97 CO 0.40 -0.08 0.44 0.21 -0.73 0.00 0.00 179.01 179.25 1rje s LYS 98 N -4.64 3.31 0.05 1.92 2.20 -1.26 -4.50 119.74 116.82 1rje s LYS 98 Ca -0.14 -0.34 0.02 0.00 -0.36 0.00 0.00 55.97 55.15 1rje s LYS 98 Cb 0.02 -4.04 -0.03 0.00 -1.51 0.00 0.00 37.83 32.27 1rje s LYS 98 CO 0.54 -1.38 -0.08 0.08 -0.36 0.00 0.00 175.35 174.15 1rje s VAL 99 N 3.61 0.58 -0.13 4.02 1.01 -1.18 -4.21 120.40 124.11 1rje s VAL 99 Ca 0.28 -1.19 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1rje s VAL 99 Cb -0.14 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.50 1rje s VAL 99 CO 0.19 -0.43 -0.15 0.00 0.00 0.00 0.00 175.10 174.70 1rje s GLN 100 N -1.86 2.25 -0.04 2.72 -2.07 -0.58 -1.68 119.66 118.41 1rje s GLN 100 Ca -0.07 -0.56 -0.07 0.00 -1.82 0.00 0.00 55.36 52.85 1rje s GLN 100 Cb -0.08 -1.99 -0.04 0.00 -1.09 0.00 0.00 33.01 29.81 1rje s GLN 100 CO -0.00 -0.15 0.23 0.08 -1.32 0.00 0.00 175.29 174.13 1rje s VAL 101 N 1.23 5.36 -0.49 3.63 1.01 -0.94 -2.23 120.40 127.97 1rje s VAL 101 Ca -0.01 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.20 1rje s VAL 101 Cb -0.14 -3.52 0.15 0.00 0.00 0.00 0.00 36.38 32.87 1rje s VAL 101 CO -0.06 0.46 0.31 -0.69 0.00 0.00 0.00 175.10 175.13 1rje s VAL 102 N -1.19 1.48 -0.88 2.92 1.01 -0.86 -1.04 120.40 121.84 1rje s VAL 102 Ca 0.23 -2.93 -0.25 0.00 0.00 0.00 0.00 61.98 59.03 1rje s VAL 102 Cb -0.13 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1rje s VAL 102 CO 0.12 -0.99 1.81 0.21 0.00 0.00 0.00 175.10 176.26 1rje s ASN 103 N -0.08 5.46 0.07 3.32 3.84 -0.58 -2.83 114.94 124.13 1rje s ASN 103 Ca 0.22 -0.67 -0.31 0.00 0.21 0.00 0.00 52.86 52.32 1rje s ASN 103 Cb -0.14 -2.56 -0.06 0.00 -0.55 0.00 0.00 41.25 37.94 1rje s ASN 103 CO -0.08 -2.42 1.22 -0.76 -2.79 0.00 0.00 177.10 172.27 1rje s LEU 104 N 8.81 4.37 -0.86 3.21 1.43 0.15 -2.49 118.68 133.30 1rje s LEU 104 Ca 0.64 2.04 -0.01 0.00 -1.03 0.00 0.00 54.13 55.77 1rje s LEU 104 Cb -0.06 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 1rje s LEU 104 CO 0.01 -0.49 0.73 0.61 0.23 0.00 0.00 176.35 177.45 1rje n GLY 105 N 3.24 -0.31 0.19 -3.19 0.00 -0.62 -4.11 105.19 100.39 1rje n GLY 105 Ca 0.09 0.08 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 1rje n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rje n GLY 107 N 0.12 3.28 2.00 0.00 0.00 -1.26 -2.50 105.19 106.84 1rje n GLY 107 Ca -0.04 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 1rje n GLY 107 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rje n SER 108 N 8.42 5.51 -4.70 1.61 7.64 -1.26 -4.89 113.62 125.95 1rje n SER 108 Ca 0.00 -3.77 -0.42 0.00 1.01 0.00 0.00 58.87 55.69 1rje n SER 108 Cb 0.00 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 62.52 1rje n SER 108 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1rje s ASP 109 N -2.65 7.24 -0.23 6.43 2.15 -1.04 -4.95 116.67 123.62 1rje s ASP 109 Ca 0.55 1.67 0.11 0.00 0.43 0.00 0.00 52.55 55.31 1rje s ASP 109 Cb 0.45 -2.56 0.44 0.00 -0.30 0.00 0.00 42.92 40.95 1rje s ASP 109 CO 0.02 -0.41 1.29 0.18 -0.17 0.00 0.00 175.17 176.08 1rje n LEU 110 N 4.54 3.13 0.18 -1.34 4.77 -1.26 -4.65 117.00 122.37 1rje n LEU 110 Ca 0.08 -3.82 0.13 0.00 -0.03 0.00 0.00 56.01 52.37 1rje n LEU 110 Cb 0.49 -0.56 0.37 0.00 -2.33 0.00 0.00 43.42 41.39 1rje n LEU 110 CO 0.53 1.32 0.87 0.08 -1.33 0.00 0.00 177.39 178.86 1rje h ARG 111 N 0.96 0.00 0.00 3.23 0.11 -2.00 -3.18 114.38 113.50 1rje h ARG 111 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 1rje h ARG 111 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1rje h ARG 111 CO 0.12 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.19 1rje h MET 112 N 0.00 0.00 0.22 0.08 -0.00 -1.98 -2.86 114.93 110.39 1rje h MET 112 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 1rje h MET 112 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.36 1rje h MET 112 CO 0.00 0.00 -0.11 -0.07 -0.00 0.00 0.00 176.91 176.73 1rje h LEU 113 N 0.00 -0.25 -0.93 -0.10 3.38 -1.92 -2.06 115.31 113.43 1rje h LEU 113 Ca 0.00 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 1rje h LEU 113 Cb 0.62 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1rje h LEU 113 CO 0.00 0.18 -0.44 1.55 0.09 0.00 0.00 178.44 179.82 1rje h PRO 114 N -0.74 0.00 -0.03 1.13 0.13 -1.77 -3.18 132.00 127.53 1rje h PRO 114 Ca -0.03 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.88 1rje h PRO 114 Cb 0.50 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.63 1rje h PRO 114 CO 0.05 0.44 -0.88 -0.07 -0.23 0.00 0.00 178.00 177.31 1rje h LEU 115 N 0.00 0.60 -0.62 1.56 3.38 -1.54 -1.56 115.31 117.12 1rje h LEU 115 Ca -0.00 -0.45 -0.14 0.00 0.09 0.00 0.00 57.88 57.38 1rje h LEU 115 Cb 0.92 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1rje h LEU 115 CO 0.06 1.23 -0.46 -0.07 0.09 0.00 0.00 178.44 179.29 1rje h LEU 116 N 0.29 0.60 -0.18 1.67 3.38 -1.47 -2.48 115.31 117.11 1rje h LEU 116 Ca -0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 1rje h LEU 116 Cb 1.50 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 1rje h LEU 116 CO 0.16 0.97 0.03 -0.61 0.09 0.00 0.00 178.44 179.07 1rje h GLN 117 N 0.44 0.30 0.00 1.13 5.75 -1.52 -3.28 115.11 117.93 1rje h GLN 117 Ca 0.03 -0.08 -0.11 0.00 -0.15 0.00 0.00 58.65 58.34 1rje h GLN 117 Cb 0.97 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.47 1rje h GLN 117 CO 0.09 0.46 -0.51 0.52 -2.65 0.00 0.00 178.83 176.74 1rje h MET 118 N 0.09 0.00 -4.48 1.69 2.86 -1.25 -3.40 114.93 110.44 1rje h MET 118 Ca 0.05 0.00 -0.65 0.00 -2.06 0.00 0.00 59.70 57.05 1rje h MET 118 Cb 0.31 0.00 -0.40 0.00 0.06 0.00 0.00 31.60 31.57 1rje h MET 118 CO 0.00 0.51 -0.73 -0.06 1.06 0.00 0.00 176.91 177.70 1rje s PHE 119 N -3.72 3.35 0.45 -0.22 0.08 -0.94 -5.01 117.98 111.97 1rje s PHE 119 Ca -0.01 -2.73 0.17 0.00 0.12 0.00 0.00 56.93 54.48 1rje s PHE 119 Cb 0.13 -2.65 1.12 0.00 -0.57 0.00 0.00 43.02 41.05 1rje s PHE 119 CO 0.74 -0.93 1.97 -1.35 -0.10 0.00 0.00 175.22 175.55 1rje h PRO 120 N 7.71 0.31 -0.83 0.24 0.11 -1.78 -2.71 132.00 135.04 1rje h PRO 120 Ca -0.07 -0.02 -0.47 0.00 0.11 0.00 0.00 66.00 65.56 1rje h PRO 120 Cb 1.02 -0.07 -0.26 0.00 0.11 0.00 0.00 31.00 31.80 1rje h PRO 120 CO 0.51 0.20 0.45 0.72 -0.21 0.00 0.00 178.00 179.67 1rje n HIS 121 N -4.46 2.62 -3.64 0.65 8.25 -1.26 -4.93 115.22 112.46 1rje n HIS 121 Ca 0.11 -2.03 -0.39 0.00 -0.26 0.00 0.00 57.72 55.14 1rje n HIS 121 Cb 0.46 -0.91 -0.12 0.00 1.12 0.00 0.00 29.99 30.54 1rje n HIS 121 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1rje s LEU 122 N -3.40 4.22 0.55 2.41 2.96 -1.02 -3.11 118.68 121.28 1rje s LEU 122 Ca 0.55 -0.59 -0.08 0.00 -0.22 0.00 0.00 54.13 53.80 1rje s LEU 122 Cb 0.47 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 1rje s LEU 122 CO 0.06 -0.22 0.90 0.00 -1.32 0.00 0.00 176.35 175.76 1rje s ALA 123 N 1.61 3.26 -0.08 5.97 0.00 -0.68 -4.85 121.76 127.00 1rje s ALA 123 Ca 0.04 -0.35 -0.14 0.00 0.00 0.00 0.00 51.96 51.51 1rje s ALA 123 Cb -0.17 -2.80 0.03 0.00 0.00 0.00 0.00 23.12 20.18 1rje s ALA 123 CO 0.07 -0.53 0.36 -0.47 0.00 0.00 0.00 175.76 175.18 1rje s TYR 124 N -2.95 -0.32 -0.26 0.00 5.04 -0.80 -2.22 117.35 115.85 1rje s TYR 124 Ca 0.51 0.68 -0.04 0.00 -2.44 0.00 0.00 57.07 55.78 1rje s TYR 124 Cb -0.11 0.13 0.10 0.00 0.35 0.00 0.00 41.96 42.43 1rje s TYR 124 CO 0.49 -0.30 0.14 0.08 -1.34 0.00 0.00 175.55 174.62 1rje s VAL 125 N -0.54 -0.11 -0.04 3.14 1.01 -0.21 -1.78 120.40 121.87 1rje s VAL 125 Ca -0.06 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 1rje s VAL 125 Cb -0.04 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1rje s VAL 125 CO 0.03 -0.60 0.96 -1.81 0.00 0.00 0.00 175.10 173.67 1rje s ASP 126 N 2.14 7.29 -0.08 3.32 1.01 -0.51 -1.53 116.67 128.31 1rje s ASP 126 Ca 0.08 1.57 0.00 0.00 0.71 0.00 0.00 52.55 54.90 1rje s ASP 126 Cb -0.16 -2.55 0.02 0.00 1.01 0.00 0.00 42.92 41.25 1rje s ASP 126 CO -0.30 -0.31 -0.06 -0.63 0.21 0.00 0.00 175.17 174.07 1rje s ILE 127 N 1.33 0.82 0.31 0.77 1.01 -1.04 -2.04 121.20 122.37 1rje s ILE 127 Ca 0.49 -0.22 -0.11 0.00 0.00 0.00 0.00 60.65 60.82 1rje s ILE 127 Cb -0.20 -0.84 0.01 0.00 0.01 0.00 0.00 42.46 41.44 1rje s ILE 127 CO 0.24 0.31 0.56 -0.62 0.00 0.00 0.00 174.94 175.43 1rje s ASP 128 N 1.36 0.24 0.71 3.58 -1.08 -1.19 -1.59 116.67 118.70 1rje s ASP 128 Ca -0.03 -1.13 -0.17 0.00 -0.52 0.00 0.00 52.55 50.71 1rje s ASP 128 Cb -0.14 0.68 -0.07 0.00 -1.46 0.00 0.00 42.92 41.94 1rje s ASP 128 CO -0.03 -1.32 0.31 -1.22 0.52 0.00 0.00 175.17 173.42 1rje n TYR 129 N -0.48 -1.53 -0.33 -5.34 4.02 -1.25 -2.05 117.16 110.20 1rje n TYR 129 Ca -0.02 0.33 0.04 0.00 -0.01 0.00 0.00 57.90 58.24 1rje n TYR 129 Cb 0.61 -1.84 0.22 0.00 -0.02 0.00 0.00 39.34 38.31 1rje n TYR 129 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 176.86 174.88 1rje h ASN 130 N -0.37 0.96 0.06 7.72 -0.73 -1.91 -2.07 115.58 119.23 1rje h ASN 130 Ca -0.45 0.01 -0.16 0.00 1.87 0.00 0.00 56.30 57.57 1rje h ASN 130 Cb 1.36 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 39.75 1rje h ASN 130 CO 0.41 0.60 -0.57 -0.33 -0.37 0.00 0.00 177.43 177.16 1rje h GLU 131 N 1.08 0.54 -0.18 6.67 3.07 -2.00 -2.89 114.58 120.86 1rje h GLU 131 Ca 0.42 -0.35 -0.10 0.00 -0.50 0.00 0.00 59.36 58.83 1rje h GLU 131 Cb 0.23 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1rje h GLU 131 CO -0.17 0.96 -0.29 0.77 -1.40 0.00 0.00 179.01 178.88 1rje h SER 132 N 0.41 0.57 1.30 1.42 0.02 -1.77 -3.11 113.55 112.39 1rje h SER 132 Ca 0.00 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1rje h SER 132 Cb 1.12 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1rje h SER 132 CO 0.11 0.99 0.00 -0.37 -1.14 0.00 0.00 176.83 176.41 1rje h VAL 133 N 0.17 0.00 -0.02 2.27 -1.51 -1.47 -2.50 116.25 113.19 1rje h VAL 133 Ca 0.02 -0.56 -0.18 0.00 -1.23 0.00 0.00 66.70 64.74 1rje h VAL 133 Cb 0.87 1.50 -0.01 0.00 -2.13 0.00 0.00 31.29 31.52 1rje h VAL 133 CO 0.07 0.00 -0.80 -0.33 -1.23 0.00 0.00 177.57 175.28 1rje h GLU 134 N 0.00 0.21 -0.05 5.19 4.39 -1.51 -2.04 114.58 120.77 1rje h GLU 134 Ca 0.00 -0.20 -0.24 0.00 0.34 0.00 0.00 59.36 59.26 1rje h GLU 134 Cb 0.65 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1rje h GLU 134 CO 0.00 0.90 -0.93 1.25 -1.16 0.00 0.00 179.01 179.07 1rje h LEU 135 N 0.13 0.82 -0.85 1.33 5.85 -1.43 -2.83 115.31 118.32 1rje h LEU 135 Ca -0.03 -0.61 -0.12 0.00 0.84 0.00 0.00 57.88 57.96 1rje h LEU 135 Cb 1.39 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1rje h LEU 135 CO 0.12 1.41 -0.46 0.50 -0.34 0.00 0.00 178.44 179.67 1rje h LYS 136 N 0.40 0.25 -0.13 1.25 3.64 -1.50 -2.42 116.57 118.05 1rje h LYS 136 Ca -0.09 -0.13 -0.13 0.00 -1.27 0.00 0.00 60.65 59.03 1rje h LYS 136 Cb 1.57 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.38 1rje h LYS 136 CO 0.18 0.67 -0.48 -0.97 -2.27 0.00 0.00 179.45 176.58 1rje h ASN 137 N 0.21 0.36 0.69 4.20 -1.24 -1.41 -2.59 115.58 115.80 1rje h ASN 137 Ca 0.01 -0.17 -0.17 0.00 0.71 0.00 0.00 56.30 56.69 1rje h ASN 137 Cb 0.90 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.83 1rje h ASN 137 CO 0.07 0.78 -0.77 0.28 -1.29 0.00 0.00 177.43 176.50 1rje h SER 138 N 0.27 0.08 0.31 1.15 0.02 -1.32 -2.88 113.55 111.18 1rje h SER 138 Ca 0.02 -0.06 -0.29 0.00 -0.84 0.00 0.00 61.79 60.61 1rje h SER 138 Cb 0.94 -0.02 0.02 0.00 0.14 0.00 0.00 62.40 63.48 1rje h SER 138 CO 0.08 0.82 -1.27 0.40 -1.14 0.00 0.00 176.83 175.72 1rje h ILE 139 N 0.04 1.35 -0.02 3.27 2.04 -1.38 -2.62 117.51 120.19 1rje h ILE 139 Ca -0.02 -2.67 -0.15 0.00 1.00 0.00 0.00 64.86 63.03 1rje h ILE 139 Cb 1.36 2.81 -0.02 0.00 -0.74 0.00 0.00 36.82 40.23 1rje h ILE 139 CO 0.11 0.80 -0.67 -0.07 0.00 0.00 0.00 178.15 178.31 1rje h LEU 140 N 0.19 0.14 0.00 1.44 3.38 -1.54 -2.93 115.31 115.98 1rje h LEU 140 Ca -0.18 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1rje h LEU 140 Cb 1.95 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1rje h LEU 140 CO 0.23 0.77 -0.65 0.03 0.09 0.00 0.00 178.44 178.91 1rje h ARG 141 N 0.08 0.00 0.04 1.13 3.08 -1.58 -3.14 114.38 113.99 1rje h ARG 141 Ca -0.01 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.81 1rje h ARG 141 Cb 1.20 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 1rje h ARG 141 CO 0.10 0.00 -1.24 1.49 -1.07 0.00 0.00 179.97 179.25 1rje h GLU 142 N 0.00 0.09 -6.90 0.04 4.57 -1.49 -3.41 114.58 107.47 1rje h GLU 142 Ca 0.00 -0.15 -0.52 0.00 -1.18 0.00 0.00 59.36 57.51 1rje h GLU 142 Cb 0.93 0.06 0.06 0.00 -0.16 0.00 0.00 28.75 29.63 1rje h GLU 142 CO 0.00 1.07 0.58 0.45 -1.18 0.00 0.00 179.01 179.93 1rje s SER 143 N -6.85 6.66 0.06 1.04 0.15 -1.11 -4.96 113.70 108.70 1rje s SER 143 Ca -0.25 2.55 -0.13 0.00 0.70 0.00 0.00 55.95 58.82 1rje s SER 143 Cb 0.05 -2.64 -0.27 0.00 -1.71 0.00 0.00 66.02 61.45 1rje s SER 143 CO 0.67 -0.60 1.13 -0.08 1.20 0.00 0.00 173.24 175.56 1rje h GLU 144 N 3.09 0.61 -0.15 5.44 4.81 -1.90 -2.79 114.58 123.68 1rje h GLU 144 Ca -0.49 -0.78 -0.16 0.00 -0.13 0.00 0.00 59.36 57.80 1rje h GLU 144 Cb 1.23 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.86 1rje h GLU 144 CO 0.64 1.35 -0.57 0.97 -0.73 0.00 0.00 179.01 180.67 1rje h ILE 145 N 0.29 1.34 0.00 2.32 2.10 -1.94 -2.63 117.51 118.99 1rje h ILE 145 Ca -0.17 -1.85 -0.11 0.00 1.08 0.00 0.00 64.86 63.81 1rje h ILE 145 Cb 1.86 1.84 -0.02 0.00 -1.09 0.00 0.00 36.82 39.41 1rje h ILE 145 CO 0.23 0.57 -0.51 -0.07 -1.08 0.00 0.00 178.15 177.29 1rje h LEU 146 N 0.37 0.00 -0.30 2.19 3.38 -1.84 -2.96 115.31 116.16 1rje h LEU 146 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1rje h LEU 146 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1rje h LEU 146 CO 0.10 0.51 -0.09 0.03 0.09 0.00 0.00 178.44 179.08 1rje h ARG 147 N 0.00 0.58 0.00 1.13 3.08 -1.37 -3.23 114.38 114.58 1rje h ARG 147 Ca -0.01 -0.23 -0.11 0.00 0.07 0.00 0.00 59.98 59.70 1rje h ARG 147 Cb 1.18 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.19 1rje h ARG 147 CO 0.07 0.79 -0.53 0.82 -1.07 0.00 0.00 179.97 180.05 1rje h ILE 148 N 0.35 1.34 -0.05 2.04 2.04 -1.48 -1.03 117.51 120.71 1rje h ILE 148 Ca 0.07 -1.83 -0.07 0.00 1.00 0.00 0.00 64.86 64.03 1rje h ILE 148 Cb 0.58 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1rje h ILE 148 CO 0.03 0.52 -0.30 0.77 0.00 0.00 0.00 178.15 179.16 1rje h SER 149 N 0.00 0.09 -0.02 1.72 4.64 -1.54 -3.14 113.55 115.31 1rje h SER 149 Ca -0.01 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1rje h SER 149 Cb 0.95 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1rje h SER 149 CO 0.07 0.40 -0.04 0.18 -0.87 0.00 0.00 176.83 176.57 1rje n LEU 150 N -4.15 2.04 -1.64 5.97 4.77 -1.15 -4.94 117.00 117.89 1rje n LEU 150 Ca -0.02 -0.97 -0.14 0.00 -0.03 0.00 0.00 56.01 54.85 1rje n LEU 150 Cb 0.37 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1rje n LEU 150 CO 0.39 0.38 -0.17 0.61 -1.33 0.00 0.00 177.39 177.26 1rje n GLY 151 N 0.80 -0.21 3.90 -0.72 0.00 -0.67 -4.83 105.19 103.46 1rje n GLY 151 Ca 0.08 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 1rje n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rje s LEU 152 N -4.11 3.43 0.57 0.99 1.43 -0.48 -5.01 118.68 115.51 1rje s LEU 152 Ca 0.01 0.98 0.07 0.00 -1.03 0.00 0.00 54.13 54.17 1rje s LEU 152 Cb -0.00 -3.92 0.08 0.00 0.03 0.00 0.00 46.19 42.37 1rje s LEU 152 CO 0.01 -0.77 0.78 -0.94 0.23 0.00 0.00 176.35 175.66 1rje s SER 153 N -4.18 5.10 0.37 2.29 1.04 -1.26 -4.74 113.70 112.32 1rje s SER 153 Ca 0.51 -0.65 0.20 0.00 0.48 0.00 0.00 55.95 56.48 1rje s SER 153 Cb -0.10 0.02 0.27 0.00 0.10 0.00 0.00 66.02 66.30 1rje s SER 153 CO 0.47 -1.31 1.56 0.50 0.98 0.00 0.00 173.24 175.44 1rje h LYS 154 N 0.15 0.00 -5.85 4.02 3.64 -1.98 -3.46 116.57 113.09 1rje h LYS 154 Ca -0.33 0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.41 1rje h LYS 154 Cb 1.28 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.05 1rje h LYS 154 CO 0.42 0.23 -0.51 -1.21 -2.27 0.00 0.00 179.45 176.11 1rje s GLU 155 N -3.13 3.38 -0.49 1.90 8.01 -1.26 -4.82 118.70 122.29 1rje s GLU 155 Ca 0.05 -0.37 -0.28 0.00 0.01 0.00 0.00 54.97 54.39 1rje s GLU 155 Cb 0.06 -3.05 -0.01 0.00 -4.31 0.00 0.00 34.13 26.82 1rje s GLU 155 CO 0.70 0.66 1.75 -0.51 0.01 0.00 0.00 175.26 177.87 1rje s ASP 156 N -2.01 5.68 -0.07 -0.19 1.01 -1.26 -4.82 116.67 115.00 1rje s ASP 156 Ca 0.28 0.72 0.11 0.00 0.71 0.00 0.00 52.55 54.36 1rje s ASP 156 Cb -0.13 -2.53 0.16 0.00 1.01 0.00 0.00 42.92 41.44 1rje s ASP 156 CO 0.20 -1.98 1.06 0.35 0.21 0.00 0.00 175.17 175.01 1rje n THR 157 N 7.24 1.39 -4.12 -1.27 -2.24 -1.26 -5.01 114.28 109.01 1rje n THR 157 Ca 0.20 -1.60 -0.31 0.00 -2.27 0.00 0.00 64.05 60.07 1rje n THR 157 Cb 0.50 0.10 -0.07 0.00 -2.10 0.00 0.00 70.33 68.75 1rje n THR 157 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rje s ALA 158 N -1.95 3.44 0.02 6.98 0.00 -1.26 -5.03 121.76 123.96 1rje s ALA 158 Ca 0.18 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 1rje s ALA 158 Cb 0.16 -1.36 -0.00 0.00 0.00 0.00 0.00 23.12 21.91 1rje s ALA 158 CO 0.02 0.71 -0.01 1.63 0.00 0.00 0.00 175.76 178.11 1rje n LYS 159 N 0.72 0.02 0.00 0.00 5.02 -1.25 -4.84 118.16 117.83 1rje n LYS 159 Ca -0.11 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 1rje n LYS 159 Cb 0.52 -0.24 0.00 0.00 -0.02 0.00 0.00 35.03 35.29 1rje n LYS 159 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1rje n SER 160 N -2.86 0.00 -0.68 4.39 3.41 -1.26 -4.36 113.62 112.26 1rje n SER 160 Ca -0.01 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.73 1rje n SER 160 Cb 0.02 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.25 1rje n SER 160 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1rje n PRO 161 N 0.00 1.87 -3.89 4.33 -0.04 -1.26 -4.97 135.00 131.03 1rje n PRO 161 Ca 0.00 -1.37 -0.35 0.00 -0.04 0.00 0.00 63.50 61.74 1rje n PRO 161 Cb 0.00 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 31.91 1rje n PRO 161 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1rje s PHE 162 N -2.08 3.40 0.05 0.54 0.40 -1.26 -4.06 117.98 114.96 1rje s PHE 162 Ca 0.31 0.30 -0.18 0.00 -0.60 0.00 0.00 56.93 56.76 1rje s PHE 162 Cb 0.20 -2.06 -0.18 0.00 0.51 0.00 0.00 43.02 41.49 1rje s PHE 162 CO 0.35 0.38 1.23 -0.07 0.70 0.00 0.00 175.22 177.81 1rje h LEU 163 N 6.15 0.64 -8.60 -0.37 3.38 -1.71 -3.33 115.31 111.47 1rje h LEU 163 Ca -0.44 -0.65 -0.69 0.00 0.09 0.00 0.00 57.88 56.19 1rje h LEU 163 Cb 1.18 -0.19 -0.29 0.00 0.09 0.00 0.00 40.66 41.44 1rje h LEU 163 CO 0.69 1.18 -0.86 -0.63 0.09 0.00 0.00 178.44 178.91 1rje s ILE 164 N -3.66 2.27 -0.43 1.22 1.01 -1.20 -4.26 121.20 116.16 1rje s ILE 164 Ca -0.13 -1.00 0.08 0.00 0.00 0.00 0.00 60.65 59.60 1rje s ILE 164 Cb 0.06 -1.83 0.31 0.00 0.01 0.00 0.00 42.46 41.00 1rje s ILE 164 CO 0.83 0.57 0.87 -0.67 0.00 0.00 0.00 174.94 176.55 1rje n ASP 165 N 2.71 -1.06 -4.15 3.58 2.03 -1.26 -2.28 116.55 116.12 1rje n ASP 165 Ca -0.17 -3.27 -0.36 0.00 0.52 0.00 0.00 54.79 51.51 1rje n ASP 165 Cb 0.52 0.73 -0.12 0.00 -0.72 0.00 0.00 41.12 41.53 1rje n ASP 165 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1rje s GLN 166 N -0.74 2.17 5.39 -0.67 2.00 -1.12 -4.98 119.66 121.72 1rje s GLN 166 Ca 0.31 -1.62 0.00 0.00 -2.00 0.00 0.00 55.36 52.05 1rje s GLN 166 Cb 0.28 -3.48 0.00 0.00 0.80 0.00 0.00 33.01 30.62 1rje s GLN 166 CO -0.10 -0.92 0.00 0.41 -0.50 0.00 0.00 175.29 174.18 1rje n GLY 167 N 4.63 1.50 0.84 2.59 0.00 -1.26 -2.99 105.19 110.49 1rje n GLY 167 Ca -0.06 0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.02 1rje n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rje n ARG 168 N 0.00 1.74 -4.28 1.61 1.74 -1.26 -4.99 116.66 111.22 1rje n ARG 168 Ca 0.00 -3.31 -0.18 0.00 -0.77 0.00 0.00 57.85 53.59 1rje n ARG 168 Cb 0.00 -1.71 -0.13 0.00 -1.02 0.00 0.00 32.46 29.60 1rje n ARG 168 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1rje s TYR 169 N -3.26 0.99 -0.23 -1.55 5.04 -1.16 -1.91 117.35 115.27 1rje s TYR 169 Ca 0.41 -0.33 -0.03 0.00 -2.44 0.00 0.00 57.07 54.68 1rje s TYR 169 Cb 0.38 -0.60 0.11 0.00 0.35 0.00 0.00 41.96 42.21 1rje s TYR 169 CO -0.05 0.00 0.29 0.15 -1.34 0.00 0.00 175.55 174.61 1rje s LYS 170 N -1.02 0.27 -0.04 4.97 1.02 -0.73 -2.77 119.74 121.43 1rje s LYS 170 Ca -0.00 0.27 -0.14 0.00 0.02 0.00 0.00 55.97 56.12 1rje s LYS 170 Cb -0.07 -0.87 -0.05 0.00 -0.52 0.00 0.00 37.83 36.32 1rje s LYS 170 CO 0.01 -0.71 0.35 -1.17 -0.92 0.00 0.00 175.35 172.91 1rje s LEU 171 N 2.41 4.43 -0.08 3.17 2.96 -0.97 -1.42 118.68 129.18 1rje s LEU 171 Ca 0.09 0.83 -0.20 0.00 -0.22 0.00 0.00 54.13 54.63 1rje s LEU 171 Cb -0.15 -2.48 0.04 0.00 0.50 0.00 0.00 46.19 44.10 1rje s LEU 171 CO -0.16 0.30 0.48 0.00 -1.32 0.00 0.00 176.35 175.64 1rje s ALA 172 N -0.81 -1.21 -0.12 5.97 0.00 -0.86 -1.93 121.76 122.79 1rje s ALA 172 Ca 0.22 0.95 -0.14 0.00 0.00 0.00 0.00 51.96 52.98 1rje s ALA 172 Cb -0.15 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.69 1rje s ALA 172 CO 0.11 -0.28 0.32 0.00 0.00 0.00 0.00 175.76 175.91 1rje s ALA 173 N -0.79 3.62 -0.29 0.00 0.00 -1.26 -3.14 121.76 119.90 1rje s ALA 173 Ca -0.09 -0.39 -0.19 0.00 0.00 0.00 0.00 51.96 51.29 1rje s ALA 173 Cb -0.03 -2.39 0.13 0.00 0.00 0.00 0.00 23.12 20.83 1rje s ALA 173 CO 0.05 0.19 0.96 0.00 0.00 0.00 0.00 175.76 176.96 1rje s ASP 175 N 1.02 6.82 0.16 0.00 -1.08 -1.26 -3.93 116.67 118.41 1rje s ASP 175 Ca -0.05 0.92 0.26 0.00 -0.52 0.00 0.00 52.55 53.16 1rje s ASP 175 Cb -0.04 -2.47 0.83 0.00 -1.46 0.00 0.00 42.92 39.77 1rje s ASP 175 CO -0.13 -0.70 1.75 0.18 0.52 0.00 0.00 175.17 176.79 1rje n LEU 176 N 6.42 0.66 0.26 -1.34 4.77 -1.26 -2.51 117.00 124.01 1rje n LEU 176 Ca 0.08 0.52 0.15 0.00 -0.03 0.00 0.00 56.01 56.73 1rje n LEU 176 Cb 0.47 -0.33 0.60 0.00 -2.33 0.00 0.00 43.42 41.83 1rje n LEU 176 CO 0.53 -0.13 0.94 0.78 -1.33 0.00 0.00 177.39 178.18 1rje h ASN 177 N 0.00 0.00 -3.78 -1.43 -0.26 -1.91 -3.41 115.58 104.78 1rje h ASN 177 Ca 0.00 0.00 -0.66 0.00 -0.56 0.00 0.00 56.30 55.08 1rje h ASN 177 Cb 0.69 0.00 -0.18 0.00 -1.06 0.00 0.00 38.32 37.77 1rje h ASN 177 CO 0.00 0.05 -0.50 -0.62 -1.06 0.00 0.00 177.43 175.30 1rje s ASP 178 N -5.83 6.03 0.36 5.81 -1.08 -1.04 -4.90 116.67 116.01 1rje s ASP 178 Ca 0.01 -0.26 0.22 0.00 -0.52 0.00 0.00 52.55 52.00 1rje s ASP 178 Cb 0.09 -2.13 0.23 0.00 -1.46 0.00 0.00 42.92 39.65 1rje s ASP 178 CO 0.57 -0.16 1.44 -0.29 0.52 0.00 0.00 175.17 177.25 1rje h ILE 179 N 5.45 0.08 -0.31 4.11 6.09 -1.82 -2.79 117.51 128.32 1rje h ILE 179 Ca -0.33 -1.12 -0.17 0.00 -1.37 0.00 0.00 64.86 61.88 1rje h ILE 179 Cb 1.17 1.91 -0.00 0.00 0.47 0.00 0.00 36.82 40.37 1rje h ILE 179 CO 0.60 0.04 -0.48 0.74 -3.07 0.00 0.00 178.15 175.99 1rje h THR 180 N 0.00 1.28 0.00 2.19 2.02 -1.93 -2.29 112.91 114.18 1rje h THR 180 Ca -0.00 -1.66 -0.13 0.00 0.77 0.00 0.00 66.41 65.38 1rje h THR 180 Cb 1.04 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.98 1rje h THR 180 CO 0.01 0.54 -0.62 -0.33 0.37 0.00 0.00 175.52 175.49 1rje h GLU 181 N 0.65 0.00 -0.06 6.66 5.08 -1.85 -3.02 114.58 122.04 1rje h GLU 181 Ca 0.03 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 1rje h GLU 181 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1rje h GLU 181 CO 0.11 0.62 -0.33 1.15 -1.00 0.00 0.00 179.01 179.56 1rje h THR 182 N 0.00 1.43 0.00 1.13 2.02 -1.42 -2.96 112.91 113.12 1rje h THR 182 Ca -0.01 -1.75 -0.14 0.00 0.77 0.00 0.00 66.41 65.28 1rje h THR 182 Cb 1.11 2.36 -0.02 0.00 -1.74 0.00 0.00 68.15 69.86 1rje h THR 182 CO 0.08 0.50 -0.65 0.71 0.37 0.00 0.00 175.52 176.53 1rje h THR 183 N -0.17 1.45 -0.37 3.16 1.35 -1.52 -2.35 112.91 114.46 1rje h THR 183 Ca -0.02 -2.26 -0.12 0.00 -0.55 0.00 0.00 66.41 63.46 1rje h THR 183 Cb 0.99 2.23 -0.01 0.00 -1.73 0.00 0.00 68.15 69.62 1rje h THR 183 CO 0.07 0.64 -0.24 0.03 -0.25 0.00 0.00 175.52 175.77 1rje h ARG 184 N 0.00 0.75 -0.14 4.72 3.08 -1.60 -2.51 114.38 118.69 1rje h ARG 184 Ca -0.01 -0.31 -0.20 0.00 0.07 0.00 0.00 59.98 59.53 1rje h ARG 184 Cb 1.17 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1rje h ARG 184 CO 0.09 0.92 -0.72 1.25 -1.07 0.00 0.00 179.97 180.43 1rje h LEU 185 N 0.65 0.73 -0.65 3.04 5.85 -1.43 -3.26 115.31 120.25 1rje h LEU 185 Ca 0.09 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1rje h LEU 185 Cb 0.75 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1rje h LEU 185 CO 0.06 1.23 0.00 -0.07 -0.34 0.00 0.00 178.44 179.32 1rje h LEU 186 N 0.43 0.00 -0.62 2.25 3.38 -1.37 -2.88 115.31 116.51 1rje h LEU 186 Ca -0.03 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1rje h LEU 186 Cb 1.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1rje h LEU 186 CO 0.14 0.00 -0.45 0.44 0.09 0.00 0.00 178.44 178.66 1rje h ASP 187 N 0.00 0.00 -0.01 -0.43 3.32 -1.48 -2.68 116.42 115.14 1rje h ASP 187 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1rje h ASP 187 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1rje h ASP 187 CO 0.00 0.45 -0.57 1.33 -1.72 0.00 0.00 179.24 178.74 1rje n VAL 188 N -3.44 0.00 -0.08 -1.35 0.24 -1.12 -4.52 118.33 108.05 1rje n VAL 188 Ca 0.00 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 1rje n VAL 188 Cb 0.60 1.13 0.00 0.00 -1.47 0.00 0.00 33.84 34.10 1rje n VAL 188 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rje s THR 190 N -0.44 0.24 0.26 0.00 -4.23 -1.01 -5.01 115.64 105.44 1rje s THR 190 Ca 0.00 -1.65 0.09 0.00 -1.18 0.00 0.00 61.69 58.95 1rje s THR 190 Cb 0.00 -1.30 -0.04 0.00 1.34 0.00 0.00 72.50 72.50 1rje s THR 190 CO 0.00 -0.89 0.03 -0.54 -0.54 0.00 0.00 174.62 172.68 1rje s LYS 191 N -3.46 2.42 0.08 3.99 -0.14 -1.26 -4.64 119.74 116.73 1rje s LYS 191 Ca 0.03 -1.34 -0.17 0.00 -1.36 0.00 0.00 55.97 53.13 1rje s LYS 191 Cb 0.04 -2.24 -0.10 0.00 -1.68 0.00 0.00 37.83 33.85 1rje s LYS 191 CO -0.08 0.37 1.41 -0.09 -0.76 0.00 0.00 175.35 176.21 1rje h ARG 192 N 1.84 0.56 -0.01 1.68 2.43 -1.96 -3.33 114.38 115.59 1rje h ARG 192 Ca -0.45 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.45 1rje h ARG 192 Cb 1.25 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1rje h ARG 192 CO 0.60 0.85 -0.39 0.39 -1.51 0.00 0.00 179.97 179.91 1rje n GLU 193 N -4.42 0.63 -2.65 0.20 -0.58 -1.26 -2.81 120.64 109.75 1rje n GLU 193 Ca -0.04 -0.41 -0.42 0.00 -0.42 0.00 0.00 57.16 55.87 1rje n GLU 193 Cb 0.40 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.75 1rje n GLU 193 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1rje s ILE 194 N -2.65 4.69 0.27 -3.67 1.01 -1.25 -4.79 121.20 114.81 1rje s ILE 194 Ca 0.19 1.95 -0.29 0.00 0.00 0.00 0.00 60.65 62.50 1rje s ILE 194 Cb 0.18 -4.25 -0.14 0.00 0.01 0.00 0.00 42.46 38.26 1rje s ILE 194 CO 0.59 0.06 1.08 -2.65 0.00 0.00 0.00 174.94 174.02 1rje n PRO 195 N 4.59 1.42 -4.15 2.79 -0.02 -1.26 -4.76 135.00 133.61 1rje n PRO 195 Ca 0.08 0.50 -0.19 0.00 -2.02 0.00 0.00 63.50 61.87 1rje n PRO 195 Cb 0.49 -1.92 -0.16 0.00 -0.02 0.00 0.00 33.50 31.89 1rje n PRO 195 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1rje s THR 196 N -0.85 0.49 -0.39 3.45 2.01 -0.88 -1.52 115.64 117.95 1rje s THR 196 Ca 0.61 -0.10 -0.08 0.00 0.31 0.00 0.00 61.69 62.43 1rje s THR 196 Cb -0.71 -0.52 0.06 0.00 0.01 0.00 0.00 72.50 71.34 1rje s THR 196 CO 0.58 0.21 0.20 -0.63 -0.69 0.00 0.00 174.62 174.29 1rje s ILE 197 N 0.88 4.08 -0.37 1.82 1.01 -0.95 -0.89 121.20 126.77 1rje s ILE 197 Ca -0.11 -1.29 -0.20 0.00 0.00 0.00 0.00 60.65 59.05 1rje s ILE 197 Cb -0.14 -3.43 0.01 0.00 0.01 0.00 0.00 42.46 38.91 1rje s ILE 197 CO 0.00 -0.38 0.59 -0.69 0.00 0.00 0.00 174.94 174.46 1rje s VAL 198 N 1.42 4.92 -0.16 2.92 1.01 -0.73 -2.03 120.40 127.74 1rje s VAL 198 Ca 0.02 0.37 -0.08 0.00 0.00 0.00 0.00 61.98 62.28 1rje s VAL 198 Cb -0.21 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1rje s VAL 198 CO 0.02 -0.35 0.13 -0.63 0.00 0.00 0.00 175.10 174.28 1rje s ILE 199 N 2.61 5.43 -0.46 2.22 1.01 -1.13 -1.77 121.20 129.11 1rje s ILE 199 Ca 0.22 0.19 0.07 0.00 0.00 0.00 0.00 60.65 61.13 1rje s ILE 199 Cb -0.15 -3.42 0.24 0.00 0.01 0.00 0.00 42.46 39.14 1rje s ILE 199 CO 0.15 0.53 0.56 -1.54 0.00 0.00 0.00 174.94 174.64 1rje n SER 200 N 2.78 1.05 -4.58 3.58 3.41 -0.98 -0.67 113.62 118.21 1rje n SER 200 Ca -0.18 -2.86 -0.42 0.00 -0.26 0.00 0.00 58.87 55.15 1rje n SER 200 Cb 0.53 -0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 1rje n SER 200 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1rje s GLU 201 N -1.41 3.53 -1.58 4.33 2.12 -1.26 -3.06 118.70 121.38 1rje s GLU 201 Ca 0.36 0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.94 1rje s GLU 201 Cb 0.15 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 30.54 1rje s GLU 201 CO -0.09 -1.59 0.00 0.00 -0.54 0.00 0.00 175.26 173.03 1rje n LEU 203 N -2.63 1.95 0.21 0.00 7.94 -1.25 -4.59 117.00 118.64 1rje n LEU 203 Ca -0.22 0.34 0.15 0.00 -1.11 0.00 0.00 56.01 55.17 1rje n LEU 203 Cb 0.66 -0.81 0.58 0.00 0.53 0.00 0.00 43.42 44.39 1rje n LEU 203 CO 0.25 0.49 0.93 -0.07 -1.11 0.00 0.00 177.39 177.88 1rje h LEU 204 N -1.00 0.00 -0.95 -1.96 3.38 -1.88 -2.85 115.31 110.06 1rje h LEU 204 Ca -0.63 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.25 1rje h LEU 204 Cb 1.55 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.29 1rje h LEU 204 CO -0.38 0.00 -0.15 0.00 0.09 0.00 0.00 178.44 178.00 1rje n TYR 206 N -4.17 0.00 -3.82 0.00 0.53 -1.07 -3.57 117.16 105.06 1rje n TYR 206 Ca 0.01 0.00 -0.27 0.00 -1.02 0.00 0.00 57.90 56.62 1rje n TYR 206 Cb 0.36 -0.27 -0.03 0.00 -1.03 0.00 0.00 39.34 38.37 1rje n TYR 206 CO 0.00 0.00 0.00 -1.64 -1.02 0.00 0.00 176.86 174.20 1rje s MET 207 N -2.69 3.48 0.89 -0.72 -1.94 -1.15 -4.79 119.30 112.37 1rje s MET 207 Ca 0.22 -0.47 -0.12 0.00 -1.71 0.00 0.00 55.69 53.61 1rje s MET 207 Cb 0.19 -2.90 0.12 0.00 2.01 0.00 0.00 34.83 34.26 1rje s MET 207 CO 0.53 0.46 1.14 -1.01 -0.01 0.00 0.00 175.02 176.13 1rje s HIS 208 N -1.81 2.60 0.37 -0.03 3.76 -1.26 -4.38 115.29 114.54 1rje s HIS 208 Ca 0.36 0.87 0.19 0.00 -0.15 0.00 0.00 55.06 56.34 1rje s HIS 208 Cb -0.11 -3.37 1.03 0.00 1.11 0.00 0.00 32.58 31.24 1rje s HIS 208 CO 0.29 -2.24 1.93 -0.97 -0.85 0.00 0.00 174.74 172.90 1rje h ASN 209 N -1.41 0.00 0.02 1.40 -0.73 -1.94 -2.46 115.58 110.47 1rje h ASN 209 Ca -0.50 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 57.47 1rje h ASN 209 Cb 1.33 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.93 1rje h ASN 209 CO 0.62 0.24 -0.81 0.78 -0.37 0.00 0.00 177.43 177.89 1rje h ASN 210 N 0.00 0.67 0.52 1.15 2.35 -1.99 -2.82 115.58 115.47 1rje h ASN 210 Ca -0.00 -0.78 -0.16 0.00 -0.55 0.00 0.00 56.30 54.81 1rje h ASN 210 Cb 0.51 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1rje h ASN 210 CO 0.03 1.37 -0.70 -0.33 -1.65 0.00 0.00 177.43 176.15 1rje h GLU 211 N 0.06 0.15 0.12 0.81 3.07 -1.89 -2.82 114.58 114.07 1rje h GLU 211 Ca -0.11 -0.13 -0.30 0.00 -0.50 0.00 0.00 59.36 58.33 1rje h GLU 211 Cb 1.51 0.03 0.03 0.00 -0.84 0.00 0.00 28.75 29.48 1rje h GLU 211 CO 0.16 0.79 -1.24 0.66 -1.40 0.00 0.00 179.01 177.98 1rje h SER 212 N 0.10 0.86 0.39 1.42 4.64 -1.56 -2.92 113.55 116.49 1rje h SER 212 Ca -0.02 -0.79 -0.15 0.00 -0.47 0.00 0.00 61.79 60.36 1rje h SER 212 Cb 1.25 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1rje h SER 212 CO 0.10 1.60 -0.64 -0.61 -0.87 0.00 0.00 176.83 176.41 1rje h GLN 213 N 0.27 0.23 0.00 4.77 5.75 -1.55 -2.25 115.11 122.33 1rje h GLN 213 Ca -0.18 -0.17 -0.10 0.00 -0.15 0.00 0.00 58.65 58.05 1rje h GLN 213 Cb 1.91 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 30.47 1rje h GLN 213 CO 0.24 0.79 -0.48 1.25 -2.65 0.00 0.00 178.83 177.97 1rje h LEU 214 N 0.17 0.00 -0.53 -2.39 5.85 -1.60 -2.19 115.31 114.61 1rje h LEU 214 Ca -0.01 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.55 1rje h LEU 214 Cb 1.15 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1rje h LEU 214 CO 0.10 0.48 -0.73 0.25 -0.34 0.00 0.00 178.44 178.20 1rje h LEU 215 N 0.00 0.09 0.21 2.25 5.85 -1.32 -2.68 115.31 119.71 1rje h LEU 215 Ca -0.00 -0.06 -0.32 0.00 0.84 0.00 0.00 57.88 58.33 1rje h LEU 215 Cb 1.19 -0.03 0.04 0.00 0.37 0.00 0.00 40.66 42.23 1rje h LEU 215 CO 0.06 0.78 -1.38 0.40 -0.34 0.00 0.00 178.44 177.97 1rje h ILE 216 N 0.05 1.29 -0.00 4.05 2.04 -1.33 -3.09 117.51 120.52 1rje h ILE 216 Ca -0.01 -2.61 -0.17 0.00 1.00 0.00 0.00 64.86 63.06 1rje h ILE 216 Cb 1.28 2.95 -0.02 0.00 -0.74 0.00 0.00 36.82 40.29 1rje h ILE 216 CO 0.10 0.79 -0.78 0.78 0.00 0.00 0.00 178.15 179.04 1rje h ASN 217 N 0.16 0.09 0.13 1.72 4.21 -1.48 -2.86 115.58 117.56 1rje h ASN 217 Ca -0.23 -0.07 -0.19 0.00 1.21 0.00 0.00 56.30 57.01 1rje h ASN 217 Cb 2.07 -0.03 0.02 0.00 -1.12 0.00 0.00 38.32 39.26 1rje h ASN 217 CO 0.26 0.83 -0.84 0.74 -1.29 0.00 0.00 177.43 177.13 1rje h THR 218 N 0.04 1.48 -0.15 2.81 2.02 -1.60 -2.91 112.91 114.60 1rje h THR 218 Ca -0.02 -2.49 -0.18 0.00 0.77 0.00 0.00 66.41 64.50 1rje h THR 218 Cb 1.37 3.11 -0.00 0.00 -1.74 0.00 0.00 68.15 70.88 1rje h THR 218 CO 0.11 0.71 -0.64 0.40 0.37 0.00 0.00 175.52 176.47 1rje h ILE 219 N -0.29 1.34 -0.24 3.11 2.04 -1.65 -1.40 117.51 120.43 1rje h ILE 219 Ca -0.14 -1.93 -0.12 0.00 1.00 0.00 0.00 64.86 63.67 1rje h ILE 219 Cb 1.64 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 39.62 1rje h ILE 219 CO 0.16 0.59 -0.35 0.24 0.00 0.00 0.00 178.15 178.80 1rje h MET 220 N 0.39 0.51 0.00 2.37 2.86 -1.64 -2.95 114.93 116.47 1rje h MET 220 Ca -0.01 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1rje h MET 220 Cb 1.20 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.85 1rje h MET 220 CO 0.12 0.79 0.00 0.77 1.06 0.00 0.00 176.91 179.65 1rje h SER 221 N 0.44 0.00 0.82 1.22 0.02 -1.40 -3.30 113.55 111.35 1rje h SER 221 Ca 0.05 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.78 1rje h SER 221 Cb 0.81 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 1rje h SER 221 CO 0.07 0.00 -1.00 0.11 -1.14 0.00 0.00 176.83 174.87 1rje h LYS 222 N 0.00 0.09 -6.36 3.45 1.57 -1.08 -3.46 116.57 110.79 1rje h LYS 222 Ca 0.00 -0.14 -0.62 0.00 -1.87 0.00 0.00 60.65 58.03 1rje h LYS 222 Cb 0.90 0.05 -0.12 0.00 0.08 0.00 0.00 32.23 33.14 1rje h LYS 222 CO 0.00 1.01 -0.67 -0.06 -0.57 0.00 0.00 179.45 179.16 1rje s PHE 223 N -2.85 2.85 -0.13 -1.35 0.08 -1.18 -4.70 117.98 110.70 1rje s PHE 223 Ca -0.01 -0.12 -0.12 0.00 0.12 0.00 0.00 56.93 56.80 1rje s PHE 223 Cb 0.10 -1.40 -0.10 0.00 -0.57 0.00 0.00 43.02 41.05 1rje s PHE 223 CO 0.83 0.50 0.18 0.77 -0.10 0.00 0.00 175.22 177.40 1rje h SER 224 N 2.90 0.00 -3.38 1.36 0.02 -1.80 -3.46 113.55 109.19 1rje h SER 224 Ca -0.47 -0.31 -0.64 0.00 -0.84 0.00 0.00 61.79 59.53 1rje h SER 224 Cb 1.19 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.52 1rje h SER 224 CO 0.58 0.80 -0.64 -2.28 -1.14 0.00 0.00 176.83 174.15 1rje s HIS 225 N -1.96 3.08 0.38 3.45 5.65 -1.26 -2.74 115.29 121.88 1rje s HIS 225 Ca -0.11 -0.29 -0.10 0.00 0.25 0.00 0.00 55.06 54.81 1rje s HIS 225 Cb 0.00 -2.05 0.04 0.00 -1.18 0.00 0.00 32.58 29.39 1rje s HIS 225 CO 0.29 -0.10 0.67 0.41 -0.65 0.00 0.00 174.74 175.37 1rje n GLY 226 N 3.90 1.42 3.30 1.59 0.00 -1.08 -2.07 105.19 112.25 1rje n GLY 226 Ca -0.17 -1.40 0.03 0.00 0.00 0.00 0.00 46.02 44.48 1rje n GLY 226 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rje s LEU 227 N 0.00 -1.15 -0.47 0.99 2.96 -0.07 -3.20 118.68 117.74 1rje s LEU 227 Ca 0.21 0.99 -0.13 0.00 -0.22 0.00 0.00 54.13 54.98 1rje s LEU 227 Cb -0.03 2.07 0.10 0.00 0.50 0.00 0.00 46.19 48.82 1rje s LEU 227 CO 0.16 -0.22 0.37 0.86 -1.32 0.00 0.00 176.35 176.20 1rje s TRP 228 N 2.85 3.31 -0.55 5.38 -0.11 -0.70 -1.78 118.94 127.33 1rje s TRP 228 Ca 0.09 -1.36 -0.20 0.00 1.22 0.00 0.00 56.10 55.85 1rje s TRP 228 Cb -0.13 -3.31 0.07 0.00 -1.50 0.00 0.00 33.47 28.60 1rje s TRP 228 CO -0.19 -0.90 0.74 0.42 -4.62 0.00 0.00 176.95 172.40 1rje s ILE 229 N 1.52 4.71 -0.31 5.86 1.01 -0.73 -2.61 121.20 130.64 1rje s ILE 229 Ca 0.04 -0.44 -0.00 0.00 0.00 0.00 0.00 60.65 60.25 1rje s ILE 229 Cb -0.26 -4.43 0.07 0.00 0.01 0.00 0.00 42.46 37.85 1rje s ILE 229 CO 0.03 -1.01 0.01 -0.55 0.00 0.00 0.00 174.94 173.42 1rje s SER 230 N 3.03 4.83 0.03 3.58 0.15 -0.90 -2.33 113.70 122.08 1rje s SER 230 Ca 0.18 -1.50 -0.17 0.00 0.70 0.00 0.00 55.95 55.16 1rje s SER 230 Cb -0.19 -1.68 -0.06 0.00 -1.71 0.00 0.00 66.02 62.38 1rje s SER 230 CO 0.12 -0.30 0.47 -0.47 1.20 0.00 0.00 173.24 174.26 1rje s TYR 231 N 1.16 3.76 0.09 3.44 5.04 -1.17 -2.58 117.35 127.08 1rje s TYR 231 Ca -0.02 1.10 -0.27 0.00 -2.44 0.00 0.00 57.07 55.44 1rje s TYR 231 Cb -0.20 -2.38 0.08 0.00 0.35 0.00 0.00 41.96 39.82 1rje s TYR 231 CO -0.03 0.61 1.04 -0.51 -1.34 0.00 0.00 175.55 175.33 1rje s ASP 232 N -1.05 -0.16 0.39 4.32 1.01 -1.22 -2.23 116.67 117.72 1rje s ASP 232 Ca 0.26 -0.30 -0.01 0.00 0.71 0.00 0.00 52.55 53.21 1rje s ASP 232 Cb -0.18 0.39 -0.03 0.00 1.01 0.00 0.00 42.92 44.11 1rje s ASP 232 CO 0.15 -0.71 0.61 -2.16 0.21 0.00 0.00 175.17 173.27 1rje s PRO 233 N -3.03 3.44 0.04 8.23 0.04 -1.26 -1.83 135.00 140.63 1rje s PRO 233 Ca 0.12 -0.26 0.04 0.00 0.04 0.00 0.00 61.00 60.94 1rje s PRO 233 Cb 0.00 -2.60 -0.02 0.00 0.04 0.00 0.00 34.50 31.93 1rje s PRO 233 CO -0.00 0.03 -0.11 0.96 0.04 0.00 0.00 177.00 177.92 1rje s ILE 234 N -2.43 0.84 -0.89 0.56 -4.36 -0.91 -4.92 121.20 109.09 1rje s ILE 234 Ca 0.42 -1.01 0.20 0.00 -0.26 0.00 0.00 60.65 60.00 1rje s ILE 234 Cb -0.10 -0.82 0.18 0.00 1.25 0.00 0.00 42.46 42.98 1rje s ILE 234 CO 0.38 -0.17 1.63 0.61 0.24 0.00 0.00 174.94 177.63 1rje n GLY 235 N 1.72 -1.21 0.01 6.27 0.00 -1.12 -4.70 105.19 106.16 1rje n GLY 235 Ca -0.20 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1rje n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rje n GLY 236 N 0.41 -1.06 0.08 -0.02 0.00 -0.66 -2.23 105.19 101.72 1rje n GLY 236 Ca 0.04 -1.15 -0.06 0.00 0.00 0.00 0.00 46.02 44.85 1rje n GLY 236 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rje h SER 237 N 0.00 0.00 -4.04 1.61 4.64 -1.78 -3.46 113.55 110.53 1rje h SER 237 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1rje h SER 237 Cb 0.00 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 62.22 1rje h SER 237 CO 0.00 0.89 0.61 -1.10 -0.87 0.00 0.00 176.83 176.36 1rje s GLN 238 N -2.69 3.25 0.16 4.77 -1.52 -1.26 -4.98 119.66 117.39 1rje s GLN 238 Ca -0.04 2.22 -0.26 0.00 -1.95 0.00 0.00 55.36 55.33 1rje s GLN 238 Cb 0.08 -2.31 -0.08 0.00 -0.22 0.00 0.00 33.01 30.48 1rje s GLN 238 CO 0.82 -1.10 0.80 -1.25 -0.25 0.00 0.00 175.29 174.32 1rje s PRO 239 N -2.84 4.60 0.00 2.91 0.04 -1.26 -3.01 135.00 135.44 1rje s PRO 239 Ca 0.70 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1rje s PRO 239 Cb -0.40 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 30.86 1rje s PRO 239 CO 0.48 0.51 0.00 -1.71 0.04 0.00 0.00 177.00 176.32 1rje n ASN 240 N 1.81 0.00 -4.55 6.66 5.15 -1.26 -5.00 115.26 118.06 1rje n ASN 240 Ca -0.04 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.55 1rje n ASN 240 Cb 0.49 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.71 1rje n ASN 240 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1rje s ASP 241 N -2.65 5.67 -0.63 1.20 2.15 -1.16 -4.87 116.67 116.38 1rje s ASP 241 Ca 0.00 -0.11 -0.01 0.00 0.43 0.00 0.00 52.55 52.86 1rje s ASP 241 Cb 0.00 -2.54 0.47 0.00 -0.30 0.00 0.00 42.92 40.55 1rje s ASP 241 CO 0.00 -2.15 1.98 0.54 -0.17 0.00 0.00 175.17 175.37 1rje n ARG 242 N 9.24 2.68 -0.02 4.34 1.74 -1.26 -4.52 116.66 128.86 1rje n ARG 242 Ca 0.15 -3.30 -0.15 0.00 -0.77 0.00 0.00 57.85 53.77 1rje n ARG 242 Cb 0.51 -2.27 -0.04 0.00 -1.02 0.00 0.00 32.46 29.63 1rje n ARG 242 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1rje h PHE 243 N 1.90 0.99 0.01 -1.55 3.57 -1.90 -2.48 116.94 117.48 1rje h PHE 243 Ca 0.60 -0.42 -0.20 0.00 3.53 0.00 0.00 57.97 61.48 1rje h PHE 243 Cb 1.07 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1rje h PHE 243 CO 1.42 1.24 -0.91 0.78 -2.23 0.00 0.00 178.31 178.61 1rje h GLY 244 N 0.71 0.22 2.00 2.40 0.00 -1.68 -2.45 103.07 104.26 1rje h GLY 244 Ca -0.04 -0.40 -0.17 0.00 0.00 0.00 0.00 47.33 46.72 1rje h GLY 244 CO 0.15 0.35 -0.81 0.00 0.00 0.00 0.00 176.54 176.23 1rje h ALA 245 N 0.94 0.60 0.00 3.60 0.00 -1.83 -2.79 119.26 119.79 1rje h ALA 245 Ca -0.05 -0.74 -0.21 0.00 0.00 0.00 0.00 54.91 53.91 1rje h ALA 245 Cb 1.55 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1rje h ALA 245 CO 0.14 1.02 -0.92 0.82 0.00 0.00 0.00 179.25 180.31 1rje h ILE 246 N 0.00 1.45 -0.09 0.00 2.04 -1.47 -3.00 117.51 116.43 1rje h ILE 246 Ca -0.01 -2.55 -0.17 0.00 1.00 0.00 0.00 64.86 63.14 1rje h ILE 246 Cb 1.49 2.45 0.01 0.00 -0.74 0.00 0.00 36.82 40.03 1rje h ILE 246 CO 0.11 0.75 -0.59 -0.03 0.00 0.00 0.00 178.15 178.38 1rje h MET 247 N 0.17 0.57 -0.29 2.37 4.05 -1.46 -1.43 114.93 118.91 1rje h MET 247 Ca -0.06 -0.49 -0.11 0.00 -0.28 0.00 0.00 59.70 58.76 1rje h MET 247 Cb 1.55 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 32.45 1rje h MET 247 CO 0.15 1.11 -0.27 1.96 0.23 0.00 0.00 176.91 180.09 1rje h GLN 248 N 0.18 0.57 0.00 0.39 4.20 -1.61 -1.94 115.11 116.90 1rje h GLN 248 Ca -0.05 -0.23 -0.13 0.00 0.06 0.00 0.00 58.65 58.30 1rje h GLN 248 Cb 1.25 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.98 1rje h GLN 248 CO 0.12 0.79 -0.62 1.03 -0.67 0.00 0.00 178.83 179.48 1rje h SER 249 N 0.50 0.00 0.44 1.46 0.87 -1.55 -3.07 113.55 112.20 1rje h SER 249 Ca 0.07 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.32 1rje h SER 249 Cb 0.73 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1rje h SER 249 CO 0.06 0.62 -1.49 -1.13 -0.53 0.00 0.00 176.83 174.36 1rje h ASN 250 N 0.00 0.48 -0.00 6.23 -1.24 -1.09 -3.05 115.58 116.90 1rje h ASN 250 Ca -0.01 -0.61 -0.18 0.00 0.71 0.00 0.00 56.30 56.21 1rje h ASN 250 Cb 1.30 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 40.19 1rje h ASN 250 CO 0.08 1.50 -0.62 -0.07 -1.29 0.00 0.00 177.43 177.03 1rje h LEU 251 N 0.08 0.70 -0.77 0.34 3.38 -1.46 -2.67 115.31 114.91 1rje h LEU 251 Ca -0.23 -0.40 -0.11 0.00 0.09 0.00 0.00 57.88 57.22 1rje h LEU 251 Cb 2.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.57 1rje h LEU 251 CO 0.19 1.15 -0.25 0.50 0.09 0.00 0.00 178.44 180.12 1rje h LYS 252 N 0.45 0.65 0.05 1.13 1.63 -1.49 -1.82 116.57 117.18 1rje h LYS 252 Ca -0.01 -0.26 -0.20 0.00 -0.85 0.00 0.00 60.65 59.32 1rje h LYS 252 Cb 1.20 -0.03 0.02 0.00 -0.60 0.00 0.00 32.23 32.82 1rje h LYS 252 CO 0.12 0.84 -0.82 0.93 -3.45 0.00 0.00 179.45 177.07 1rje h GLU 253 N 0.57 0.47 0.15 1.90 4.39 -1.54 -2.99 114.58 117.53 1rje h GLU 253 Ca 0.08 -0.57 -0.27 0.00 0.34 0.00 0.00 59.36 58.93 1rje h GLU 253 Cb 0.73 0.18 0.01 0.00 -0.10 0.00 0.00 28.75 29.57 1rje h GLU 253 CO 0.06 1.21 -1.33 0.66 -1.16 0.00 0.00 179.01 178.45 1rje h SER 254 N -0.01 0.49 0.00 1.42 4.64 -1.54 -3.41 113.55 115.13 1rje h SER 254 Ca -0.12 -0.90 0.00 0.00 -0.47 0.00 0.00 61.79 60.31 1rje h SER 254 Cb 1.54 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1rje h SER 254 CO 0.16 1.60 0.00 -2.11 -0.87 0.00 0.00 176.83 175.61 1rje n ARG 255 N -3.90 0.67 -3.50 4.77 0.00 -1.04 -5.05 116.66 108.62 1rje n ARG 255 Ca -0.21 -0.70 -0.20 0.00 -0.00 0.00 0.00 57.85 56.74 1rje n ARG 255 Cb 0.93 -0.63 0.06 0.00 -0.00 0.00 0.00 32.46 32.82 1rje n ARG 255 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1rje n ASN 256 N -0.12 -3.36 -4.41 2.89 4.05 -0.74 -4.97 115.26 108.61 1rje n ASN 256 Ca 0.00 -0.75 -0.30 0.00 0.45 0.00 0.00 54.58 53.98 1rje n ASN 256 Cb 0.42 -4.61 -0.13 0.00 1.23 0.00 0.00 39.78 36.69 1rje n ASN 256 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1rje s LEU 257 N -6.22 2.41 0.02 1.20 2.96 -0.88 -4.94 118.68 113.24 1rje s LEU 257 Ca 0.18 -0.63 0.08 0.00 -0.22 0.00 0.00 54.13 53.54 1rje s LEU 257 Cb -0.04 -1.35 -0.02 0.00 0.50 0.00 0.00 46.19 45.28 1rje s LEU 257 CO 0.77 0.21 -0.24 -1.61 -1.32 0.00 0.00 176.35 174.16 1rje s GLU 258 N -1.82 1.74 -0.62 1.98 2.02 -1.26 -3.19 118.70 117.55 1rje s GLU 258 Ca 0.14 -0.97 0.04 0.00 0.02 0.00 0.00 54.97 54.21 1rje s GLU 258 Cb -0.10 -1.82 0.16 0.00 0.10 0.00 0.00 34.13 32.47 1rje s GLU 258 CO 0.06 0.48 0.42 -1.64 0.02 0.00 0.00 175.26 174.60 1rje s MET 259 N -0.98 2.14 0.24 1.61 -1.94 -1.26 -4.54 119.30 114.57 1rje s MET 259 Ca 0.10 -3.00 -0.06 0.00 -1.71 0.00 0.00 55.69 51.01 1rje s MET 259 Cb -0.09 -3.13 0.27 0.00 2.01 0.00 0.00 34.83 33.89 1rje s MET 259 CO 0.01 -1.25 1.89 -1.35 -0.01 0.00 0.00 175.02 174.31 1rje h PRO 260 N 5.72 1.12 -0.92 2.03 0.11 -1.78 -3.07 132.00 135.20 1rje h PRO 260 Ca 0.10 -0.07 -0.64 0.00 0.11 0.00 0.00 66.00 65.51 1rje h PRO 260 Cb 0.81 -0.25 -0.33 0.00 0.11 0.00 0.00 31.00 31.33 1rje h PRO 260 CO 0.66 0.74 0.37 0.25 -0.21 0.00 0.00 178.00 179.81 1rje n THR 261 N -4.51 3.30 -0.07 -1.15 -2.24 -1.26 -4.58 114.28 103.77 1rje n THR 261 Ca 0.11 -3.30 -0.13 0.00 -2.27 0.00 0.00 64.05 58.47 1rje n THR 261 Cb 0.08 -1.14 -0.10 0.00 -2.10 0.00 0.00 70.33 67.07 1rje n THR 261 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1rje h LEU 262 N 2.04 0.00 -0.83 3.22 5.85 -1.85 -3.17 115.31 120.56 1rje h LEU 262 Ca 0.54 -0.66 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 1rje h LEU 262 Cb 1.05 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1rje h LEU 262 CO 1.34 1.00 -0.32 0.24 -0.34 0.00 0.00 178.44 180.36 1rje h MET 263 N -1.00 0.00 0.01 1.25 2.86 -1.84 -2.94 114.93 113.27 1rje h MET 263 Ca -0.07 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1rje h MET 263 Cb 0.85 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1rje h MET 263 CO -0.04 0.32 -0.00 1.15 1.06 0.00 0.00 176.91 179.39 1rje h THR 264 N 0.00 1.29 -2.58 2.22 2.02 -1.84 -3.29 112.91 110.73 1rje h THR 264 Ca -0.00 -0.89 -0.77 0.00 0.77 0.00 0.00 66.41 65.52 1rje h THR 264 Cb 0.91 1.89 -0.30 0.00 -1.74 0.00 0.00 68.15 68.91 1rje h THR 264 CO 0.04 0.23 0.61 -1.22 0.37 0.00 0.00 175.52 175.55 1rje n TYR 265 N -4.91 2.69 1.74 3.16 4.02 -1.20 -4.83 117.16 117.82 1rje n TYR 265 Ca -0.08 -2.85 0.13 0.00 -0.01 0.00 0.00 57.90 55.09 1rje n TYR 265 Cb 0.20 -1.10 0.64 0.00 -0.02 0.00 0.00 39.34 39.07 1rje n TYR 265 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1rje n ASN 266 N 0.71 0.67 -4.39 7.72 6.94 -1.16 -4.24 115.26 121.51 1rje n ASN 266 Ca 0.33 -1.36 -0.19 0.00 -0.02 0.00 0.00 54.58 53.35 1rje n ASN 266 Cb 0.32 -0.02 -0.10 0.00 -2.36 0.00 0.00 39.78 37.62 1rje n ASN 266 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1rje s SER 267 N -1.82 1.82 0.40 0.53 1.04 -1.26 -1.65 113.70 112.77 1rje s SER 267 Ca 0.38 -1.38 0.22 0.00 0.48 0.00 0.00 55.95 55.65 1rje s SER 267 Cb 0.19 0.03 0.52 0.00 0.10 0.00 0.00 66.02 66.86 1rje s SER 267 CO 0.30 -0.66 1.66 0.07 0.98 0.00 0.00 173.24 175.59 1rje h LYS 268 N 2.25 0.00 0.02 4.02 2.10 -1.95 -2.70 116.57 120.31 1rje h LYS 268 Ca -0.40 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.09 1rje h LYS 268 Cb 1.24 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.59 1rje h LYS 268 CO 0.66 0.21 -0.66 0.93 -2.00 0.00 0.00 179.45 178.58 1rje h GLU 269 N 0.00 0.42 -0.25 0.07 3.07 -1.96 -2.80 114.58 113.13 1rje h GLU 269 Ca -0.00 -0.47 -0.09 0.00 -0.50 0.00 0.00 59.36 58.29 1rje h GLU 269 Cb 1.00 0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 29.03 1rje h GLU 269 CO 0.03 1.14 -0.25 0.87 -1.40 0.00 0.00 179.01 179.39 1rje h LYS 270 N -0.10 0.47 -0.55 2.33 1.57 -1.94 -2.63 116.57 115.71 1rje h LYS 270 Ca -0.09 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.42 1rje h LYS 270 Cb 1.38 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.64 1rje h LYS 270 CO 0.13 0.68 -0.05 -0.92 -0.57 0.00 0.00 179.45 178.72 1rje h TYR 271 N 0.41 1.09 0.00 -1.35 3.20 -1.56 -3.01 116.97 115.76 1rje h TYR 271 Ca 0.06 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.73 1rje h TYR 271 Cb 0.66 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.65 1rje h TYR 271 CO 0.02 0.99 0.00 0.00 -1.64 0.00 0.00 178.16 177.53 1rje n ALA 272 N -2.49 2.04 0.58 1.82 0.00 -1.06 -3.07 120.51 118.34 1rje n ALA 272 Ca 0.02 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.60 1rje n ALA 272 Cb 0.36 -1.44 0.45 0.00 0.00 0.00 0.00 19.45 18.83 1rje n ALA 272 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1rje n SER 273 N -2.24 0.46 0.16 0.00 3.41 -1.01 -2.88 113.62 111.52 1rje n SER 273 Ca 0.04 0.58 0.01 0.00 -0.26 0.00 0.00 58.87 59.24 1rje n SER 273 Cb 0.35 -0.69 0.25 0.00 -0.26 0.00 0.00 64.21 63.86 1rje n SER 273 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1rje h ARG 274 N 0.00 0.00 -0.94 4.33 3.08 -1.68 -2.96 114.38 116.20 1rje h ARG 274 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 1rje h ARG 274 Cb 0.47 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.22 1rje h ARG 274 CO 0.00 0.51 0.60 0.91 -1.07 0.00 0.00 179.97 180.92 1rje n TRP 275 N -3.91 3.08 0.28 3.04 8.01 -1.14 -4.68 117.44 122.12 1rje n TRP 275 Ca -0.01 -2.73 0.16 0.00 -1.31 0.00 0.00 57.50 53.60 1rje n TRP 275 Cb 0.53 -1.22 0.57 0.00 -2.01 0.00 0.00 31.31 29.18 1rje n TRP 275 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1rje h SER 276 N 1.86 0.00 -0.39 -0.99 4.64 -1.63 -2.85 113.55 114.19 1rje h SER 276 Ca 0.57 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.84 1rje h SER 276 Cb 1.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 1rje h SER 276 CO 1.39 0.00 0.09 0.00 -0.87 0.00 0.00 176.83 177.43 1rje h ALA 277 N 2.02 1.28 -2.81 5.18 0.00 -1.87 -3.42 119.26 119.65 1rje h ALA 277 Ca 0.00 -0.20 -0.52 0.00 0.00 0.00 0.00 54.91 54.19 1rje h ALA 277 Cb 0.61 -0.19 0.04 0.00 0.00 0.00 0.00 17.79 18.25 1rje h ALA 277 CO 0.00 0.50 0.59 0.00 0.00 0.00 0.00 179.25 180.33 1rje s ALA 278 N -5.13 3.47 0.15 0.00 0.00 -1.08 -4.97 121.76 114.21 1rje s ALA 278 Ca -0.09 1.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.93 1rje s ALA 278 Cb 0.16 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 1rje s ALA 278 CO 0.79 -0.46 1.38 -1.00 0.00 0.00 0.00 175.76 176.48 1rje h PRO 279 N 4.00 0.50 -4.44 0.00 0.13 -1.82 -3.41 132.00 126.95 1rje h PRO 279 Ca -0.47 -0.42 -0.72 0.00 -0.87 0.00 0.00 66.00 63.52 1rje h PRO 279 Cb 1.22 0.09 -0.28 0.00 0.13 0.00 0.00 31.00 32.16 1rje h PRO 279 CO 0.69 1.06 -0.46 1.21 -0.23 0.00 0.00 178.00 180.26 1rje s ASN 280 N -7.02 5.64 -0.15 1.44 2.47 -1.19 -5.06 114.94 111.07 1rje s ASN 280 Ca -0.07 -1.53 -0.01 0.00 0.42 0.00 0.00 52.86 51.68 1rje s ASN 280 Cb 0.10 -1.99 0.04 0.00 -1.45 0.00 0.00 41.25 37.95 1rje s ASN 280 CO 0.86 -0.55 -0.06 -0.69 -3.72 0.00 0.00 177.10 172.95 1rje s VAL 281 N 1.42 1.08 0.06 -5.21 1.01 -1.26 -1.34 120.40 116.15 1rje s VAL 281 Ca 0.03 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1rje s VAL 281 Cb -0.23 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1rje s VAL 281 CO 0.02 0.18 -0.03 -0.63 0.00 0.00 0.00 175.10 174.64 1rje s ILE 282 N 1.66 3.88 -0.20 2.22 1.01 -1.11 -5.02 121.20 123.64 1rje s ILE 282 Ca 0.02 -0.93 -0.10 0.00 0.00 0.00 0.00 60.65 59.64 1rje s ILE 282 Cb -0.15 -2.79 0.07 0.00 0.01 0.00 0.00 42.46 39.60 1rje s ILE 282 CO -0.08 0.21 0.47 0.54 0.00 0.00 0.00 174.94 176.08 1rje s VAL 283 N -1.20 -0.11 0.00 2.92 0.11 -1.26 -2.01 120.40 118.86 1rje s VAL 283 Ca 0.22 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 1rje s VAL 283 Cb -0.11 -0.70 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 1rje s VAL 283 CO 0.14 0.03 -0.02 0.20 -3.33 0.00 0.00 175.10 172.13 1rje s ASN 284 N 1.61 0.20 0.81 3.54 0.01 -1.19 -5.00 114.94 114.92 1rje s ASN 284 Ca -0.09 -0.12 -0.11 0.00 -0.71 0.00 0.00 52.86 51.83 1rje s ASN 284 Cb -0.08 0.00 0.08 0.00 0.41 0.00 0.00 41.25 41.66 1rje s ASN 284 CO -0.14 -0.04 1.09 1.51 -1.51 0.00 0.00 177.10 178.00 1rje s ASP 285 N -0.33 4.30 0.03 -1.22 -4.77 -1.26 -1.68 116.67 111.74 1rje s ASP 285 Ca -0.03 1.47 0.22 0.00 -3.30 0.00 0.00 52.55 50.91 1rje s ASP 285 Cb -0.02 -2.20 0.92 0.00 -1.09 0.00 0.00 42.92 40.52 1rje s ASP 285 CO -0.00 -2.11 1.70 0.23 0.70 0.00 0.00 175.17 175.68 1rje n MET 286 N -3.54 0.03 0.09 2.11 2.81 -0.81 -1.98 117.12 115.82 1rje n MET 286 Ca 0.07 0.15 -0.13 0.00 -1.81 0.00 0.00 57.70 55.99 1rje n MET 286 Cb 0.55 -1.54 -0.09 0.00 -0.71 0.00 0.00 33.22 31.43 1rje n MET 286 CO 0.00 0.00 0.00 2.35 1.51 0.00 0.00 175.97 179.83 1rje h TRP 287 N 0.00 0.40 -0.07 2.03 2.91 -1.86 -2.58 115.95 116.78 1rje h TRP 287 Ca 0.00 -0.26 -0.11 0.00 1.13 0.00 0.00 58.89 59.65 1rje h TRP 287 Cb 0.39 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 29.00 1rje h TRP 287 CO 0.00 1.15 -0.45 0.93 -1.03 0.00 0.00 178.44 179.04 1rje h GLU 288 N 0.10 0.16 0.00 2.65 5.08 -1.75 -2.69 114.58 118.14 1rje h GLU 288 Ca -0.09 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 1rje h GLU 288 Cb 1.77 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.01 1rje h GLU 288 CO 0.17 0.58 -0.40 0.82 -1.00 0.00 0.00 179.01 179.18 1rje h ILE 289 N 0.13 0.79 -0.03 3.13 2.04 -1.54 -2.11 117.51 119.92 1rje h ILE 289 Ca 0.01 -1.79 -0.14 0.00 1.00 0.00 0.00 64.86 63.94 1rje h ILE 289 Cb 0.85 2.16 -0.02 0.00 -0.74 0.00 0.00 36.82 39.07 1rje h ILE 289 CO 0.07 0.39 -0.62 0.15 0.00 0.00 0.00 178.15 178.14 1rje h PHE 290 N 0.00 0.15 0.00 1.37 3.57 -1.23 -2.55 116.94 118.25 1rje h PHE 290 Ca -0.00 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 1rje h PHE 290 Cb 1.12 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.83 1rje h PHE 290 CO 0.00 0.70 -1.20 0.09 -2.23 0.00 0.00 178.31 175.68 1rje n ASN 291 N -3.83 0.73 -0.10 0.41 3.02 -1.03 -4.08 115.26 110.37 1rje n ASN 291 Ca -0.02 0.28 -0.21 0.00 -0.03 0.00 0.00 54.58 54.61 1rje n ASN 291 Cb 0.62 0.64 -0.07 0.00 -0.61 0.00 0.00 39.78 40.36 1rje n ASN 291 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rje n ALA 292 N -2.22 1.70 0.06 5.41 0.00 -0.80 -4.76 120.51 119.90 1rje n ALA 292 Ca -0.02 -0.80 0.10 0.00 0.00 0.00 0.00 53.44 52.73 1rje n ALA 292 Cb 0.59 0.23 -0.06 0.00 0.00 0.00 0.00 19.45 20.20 1rje n ALA 292 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1rje n GLN 293 N -3.81 0.62 -3.17 0.00 6.02 -0.96 -4.79 117.38 111.29 1rje n GLN 293 Ca -0.39 0.03 -0.42 0.00 -0.01 0.00 0.00 57.00 56.22 1rje n GLN 293 Cb 0.79 -1.73 -0.07 0.00 1.02 0.00 0.00 30.24 30.24 1rje n GLN 293 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1rje s ILE 294 N -3.36 4.93 1.10 5.09 -1.09 -1.21 -5.07 121.20 121.60 1rje s ILE 294 Ca -0.03 0.33 -0.17 0.00 -2.23 0.00 0.00 60.65 58.54 1rje s ILE 294 Cb 0.11 -4.06 0.24 0.00 -1.58 0.00 0.00 42.46 37.17 1rje s ILE 294 CO 0.83 -0.35 1.18 -2.16 -1.23 0.00 0.00 174.94 173.21 1rje s PRO 295 N 2.58 -0.39 0.37 2.79 0.04 -1.26 -4.81 135.00 134.32 1rje s PRO 295 Ca 0.21 -0.12 0.15 0.00 0.04 0.00 0.00 61.00 61.28 1rje s PRO 295 Cb -0.15 -1.70 0.71 0.00 0.04 0.00 0.00 34.50 33.40 1rje s PRO 295 CO 0.15 -3.15 1.78 1.49 0.04 0.00 0.00 177.00 177.31 1rje h GLU 296 N -2.18 0.00 -0.36 4.56 4.57 -1.99 -2.89 114.58 116.29 1rje h GLU 296 Ca -0.46 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 57.61 1rje h GLU 296 Cb 1.28 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.86 1rje h GLU 296 CO 0.39 0.40 -0.26 0.66 -1.18 0.00 0.00 179.01 179.02 1rje h SER 297 N 0.00 0.74 0.35 1.04 4.64 -2.00 -2.72 113.55 115.61 1rje h SER 297 Ca -0.00 -0.28 -0.16 0.00 -0.47 0.00 0.00 61.79 60.88 1rje h SER 297 Cb 0.78 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1rje h SER 297 CO 0.05 0.97 -0.67 -0.33 -0.87 0.00 0.00 176.83 175.98 1rje h GLU 298 N 0.63 0.29 0.00 4.77 4.39 -1.88 -2.82 114.58 119.97 1rje h GLU 298 Ca 0.08 -0.22 -0.08 0.00 0.34 0.00 0.00 59.36 59.48 1rje h GLU 298 Cb 0.76 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 1rje h GLU 298 CO 0.06 0.85 -0.36 0.00 -1.16 0.00 0.00 179.01 178.40 1rje h ARG 299 N 0.21 0.00 0.00 2.33 3.08 -1.50 -2.60 114.38 115.90 1rje h ARG 299 Ca -0.02 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.84 1rje h ARG 299 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1rje h ARG 299 CO 0.11 0.36 -0.87 -0.22 -1.07 0.00 0.00 179.97 178.28 1rje h LYS 300 N 0.00 0.20 -0.15 0.04 3.64 -1.41 -2.72 116.57 116.17 1rje h LYS 300 Ca -0.00 -0.22 -0.22 0.00 -1.27 0.00 0.00 60.65 58.93 1rje h LYS 300 Cb 1.02 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1rje h LYS 300 CO 0.05 0.95 -0.78 -0.09 -2.27 0.00 0.00 179.45 177.31 1rje h ARG 301 N 0.11 0.79 0.00 1.90 2.43 -1.41 -2.93 114.38 115.27 1rje h ARG 301 Ca -0.04 -0.65 -0.11 0.00 -0.81 0.00 0.00 59.98 58.37 1rje h ARG 301 Cb 1.49 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 31.17 1rje h ARG 301 CO 0.13 1.26 -0.51 -0.07 -1.51 0.00 0.00 179.97 179.27 1rje h LEU 302 N 0.53 0.00 -0.46 3.80 -0.00 -1.54 -2.96 115.31 114.68 1rje h LEU 302 Ca -0.06 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.68 1rje h LEU 302 Cb 1.41 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.06 1rje h LEU 302 CO 0.16 0.51 -0.26 0.03 -0.00 0.00 0.00 178.44 178.88 1rje h ARG 303 N 0.00 0.99 -0.36 1.13 3.08 -1.47 -3.02 114.38 114.73 1rje h ARG 303 Ca -0.01 -0.45 -0.14 0.00 0.07 0.00 0.00 59.98 59.46 1rje h ARG 303 Cb 0.92 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1rje h ARG 303 CO 0.07 1.12 -0.32 0.66 -1.07 0.00 0.00 179.97 180.43 1rje h SER 304 N 0.84 0.83 -0.10 7.04 4.64 -1.44 -3.32 113.55 122.04 1rje h SER 304 Ca 0.10 -0.34 -0.05 0.00 -0.47 0.00 0.00 61.79 61.03 1rje h SER 304 Cb 0.85 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1rje h SER 304 CO 0.07 1.08 -0.13 -0.07 -0.87 0.00 0.00 176.83 176.92 1rje h LEU 305 N 0.66 0.28 -6.86 5.97 3.38 -1.54 -3.45 115.31 113.76 1rje h LEU 305 Ca 0.07 -0.51 0.08 0.00 0.09 0.00 0.00 57.88 57.61 1rje h LEU 305 Cb 0.87 -0.08 -0.20 0.00 0.09 0.00 0.00 40.66 41.33 1rje h LEU 305 CO 0.08 0.74 -0.15 -1.58 0.09 0.00 0.00 178.44 177.61 1rje s GLN 306 N -4.17 0.58 0.10 1.13 0.74 -1.14 -5.02 119.66 111.88 1rje s GLN 306 Ca -0.15 1.39 -0.31 0.00 0.05 0.00 0.00 55.36 56.34 1rje s GLN 306 Cb 0.04 0.83 -0.07 0.00 1.10 0.00 0.00 33.01 34.90 1rje s GLN 306 CO 0.74 -0.26 1.36 0.12 -0.55 0.00 0.00 175.29 176.69 1rje s PHE 307 N 2.89 3.25 -0.55 1.67 5.36 -1.25 -4.59 117.98 124.76 1rje s PHE 307 Ca -0.02 1.00 -0.23 0.00 -0.96 0.00 0.00 56.93 56.72 1rje s PHE 307 Cb -0.12 -3.64 0.05 0.00 -0.34 0.00 0.00 43.02 38.97 1rje s PHE 307 CO -0.19 -2.21 0.87 -1.17 -1.46 0.00 0.00 175.22 171.06 1rje s LEU 308 N 1.18 4.34 0.11 6.12 2.96 -1.26 -4.89 118.68 127.24 1rje s LEU 308 Ca 0.64 -0.56 -0.16 0.00 -0.22 0.00 0.00 54.13 53.82 1rje s LEU 308 Cb -0.35 -2.69 -0.04 0.00 0.50 0.00 0.00 46.19 43.61 1rje s LEU 308 CO 0.30 -1.18 1.58 0.44 -1.32 0.00 0.00 176.35 176.17 1rje h ASP 309 N 9.27 0.57 -3.58 3.68 3.32 -1.97 -3.40 116.42 124.31 1rje h ASP 309 Ca -0.27 -0.28 -0.69 0.00 0.02 0.00 0.00 57.03 55.81 1rje h ASP 309 Cb 1.08 -0.15 -0.35 0.00 0.22 0.00 0.00 39.33 40.13 1rje h ASP 309 CO 1.07 0.70 -0.54 -1.61 -1.72 0.00 0.00 179.24 177.14 1rje s GLU 310 N -5.12 2.02 0.21 3.56 0.41 -1.26 -4.92 118.70 113.60 1rje s GLU 310 Ca -0.13 -1.91 0.14 0.00 -0.41 0.00 0.00 54.97 52.66 1rje s GLU 310 Cb 0.09 -3.57 -0.02 0.00 -1.78 0.00 0.00 34.13 28.86 1rje s GLU 310 CO 0.77 -1.08 1.28 1.25 -0.49 0.00 0.00 175.26 177.00 1rje h LEU 311 N 7.89 0.00 -0.25 1.80 5.85 -2.00 -3.17 115.31 125.42 1rje h LEU 311 Ca -0.11 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.41 1rje h LEU 311 Cb 1.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1rje h LEU 311 CO 0.69 0.58 -0.90 -0.08 -0.34 0.00 0.00 178.44 178.40 1rje h GLU 312 N 0.00 0.17 0.00 1.25 4.57 -1.98 -2.37 114.58 116.22 1rje h GLU 312 Ca -0.04 -0.20 -0.08 0.00 -1.18 0.00 0.00 59.36 57.86 1rje h GLU 312 Cb 1.48 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 30.12 1rje h GLU 312 CO 0.07 0.96 -0.40 0.93 -1.18 0.00 0.00 179.01 179.39 1rje h GLU 313 N 0.09 0.00 -0.05 1.92 5.08 -1.98 -1.95 114.58 117.69 1rje h GLU 313 Ca -0.04 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 1rje h GLU 313 Cb 1.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1rje h GLU 313 CO 0.13 0.40 -0.65 1.25 -1.00 0.00 0.00 179.01 179.14 1rje h LEU 314 N 0.00 0.23 -0.16 1.33 5.85 -1.50 -2.97 115.31 118.09 1rje h LEU 314 Ca -0.00 -0.14 -0.13 0.00 0.84 0.00 0.00 57.88 58.45 1rje h LEU 314 Cb 0.72 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1rje h LEU 314 CO 0.05 0.82 -0.41 0.50 -0.34 0.00 0.00 178.44 179.06 1rje h LYS 315 N 0.14 0.56 -0.27 1.25 3.64 -1.06 -1.98 116.57 118.84 1rje h LYS 315 Ca -0.01 -0.39 -0.10 0.00 -1.27 0.00 0.00 60.65 58.88 1rje h LYS 315 Cb 1.17 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1rje h LYS 315 CO 0.10 1.01 -0.24 0.28 -2.27 0.00 0.00 179.45 178.32 1rje h VAL 316 N 0.20 1.26 -0.07 2.00 2.07 -1.44 -1.67 116.25 118.60 1rje h VAL 316 Ca -0.01 -1.27 -0.10 0.00 0.82 0.00 0.00 66.70 66.15 1rje h VAL 316 Cb 1.02 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1rje h VAL 316 CO 0.09 0.41 -0.35 -0.03 0.02 0.00 0.00 177.57 177.71 1rje h MET 317 N 0.46 0.36 0.00 1.57 1.85 -1.57 -3.33 114.93 114.27 1rje h MET 317 Ca 0.07 -0.29 0.00 0.00 -0.61 0.00 0.00 59.70 58.87 1rje h MET 317 Cb 0.67 0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.76 1rje h MET 317 CO 0.05 0.93 0.00 1.04 -0.40 0.00 0.00 176.91 178.53 1rje n GLN 318 N -4.40 0.15 0.19 0.39 1.13 -0.75 -2.28 117.38 111.82 1rje n GLN 318 Ca -0.08 0.15 0.07 0.00 -1.94 0.00 0.00 57.00 55.19 1rje n GLN 318 Cb 0.52 -1.69 0.26 0.00 0.11 0.00 0.00 30.24 29.44 1rje n GLN 318 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1rje h THR 319 N 0.00 0.61 -0.61 5.09 1.35 -1.41 -2.13 112.91 115.81 1rje h THR 319 Ca 0.00 -1.53 -0.23 0.00 -0.55 0.00 0.00 66.41 64.09 1rje h THR 319 Cb 0.62 2.05 -0.14 0.00 -1.73 0.00 0.00 68.15 68.95 1rje h THR 319 CO 0.00 0.30 0.29 1.41 -0.25 0.00 0.00 175.52 177.28 1rje n HIS 320 N -3.29 1.96 -4.10 4.73 8.25 -0.96 -4.83 115.22 116.97 1rje n HIS 320 Ca 0.01 -1.11 -0.10 0.00 -0.26 0.00 0.00 57.72 56.26 1rje n HIS 320 Cb 0.56 -0.62 -0.10 0.00 1.12 0.00 0.00 29.99 30.94 1rje n HIS 320 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1rje s TYR 321 N -2.34 0.66 0.18 4.41 1.51 -1.15 -2.14 117.35 118.47 1rje s TYR 321 Ca 0.41 -0.81 -0.03 0.00 -1.01 0.00 0.00 57.07 55.63 1rje s TYR 321 Cb 0.33 -0.41 -0.03 0.00 -0.11 0.00 0.00 41.96 41.73 1rje s TYR 321 CO 0.09 -0.20 0.16 0.96 -1.11 0.00 0.00 175.55 175.45 1rje s ILE 322 N -2.89 0.03 -0.18 2.71 -5.25 -0.76 -2.21 121.20 112.65 1rje s ILE 322 Ca 0.02 -1.87 -0.05 0.00 -0.99 0.00 0.00 60.65 57.76 1rje s ILE 322 Cb 0.00 -2.30 0.06 0.00 2.95 0.00 0.00 42.46 43.17 1rje s ILE 322 CO -0.04 -0.14 0.09 -0.22 -1.79 0.00 0.00 174.94 172.83 1rje s LEU 323 N -3.10 0.40 -0.01 0.37 2.96 -0.68 -3.40 118.68 115.22 1rje s LEU 323 Ca 0.32 -0.65 -0.01 0.00 -0.22 0.00 0.00 54.13 53.56 1rje s LEU 323 Cb 0.06 -0.26 -0.04 0.00 0.50 0.00 0.00 46.19 46.45 1rje s LEU 323 CO 0.08 -0.35 0.10 -0.32 -1.32 0.00 0.00 176.35 174.54 1rje s MET 324 N 2.12 3.15 -0.33 1.98 -2.45 -1.07 -3.20 119.30 119.51 1rje s MET 324 Ca 0.02 -0.44 -0.02 0.00 -1.25 0.00 0.00 55.69 54.01 1rje s MET 324 Cb -0.16 -2.92 0.12 0.00 1.25 0.00 0.00 34.83 33.12 1rje s MET 324 CO -0.10 0.66 0.16 0.15 1.05 0.00 0.00 175.02 176.93 1rje s LYS 325 N -1.73 0.49 -0.44 4.11 1.02 -0.85 -2.12 119.74 120.22 1rje s LYS 325 Ca 0.23 -1.00 -0.14 0.00 0.02 0.00 0.00 55.97 55.08 1rje s LYS 325 Cb -0.12 -1.46 0.06 0.00 -0.52 0.00 0.00 37.83 35.78 1rje s LYS 325 CO 0.14 -1.08 0.34 0.00 -0.92 0.00 0.00 175.35 173.82 1rje s ALA 326 N 1.55 3.48 -0.06 5.17 0.00 -1.07 -2.74 121.76 128.08 1rje s ALA 326 Ca 0.13 -1.98 -0.04 0.00 0.00 0.00 0.00 51.96 50.07 1rje s ALA 326 Cb -0.19 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 1rje s ALA 326 CO -0.20 -1.62 0.11 -0.65 0.00 0.00 0.00 175.76 173.40 1rje s GLN 327 N 1.61 3.25 0.02 0.00 -0.21 -0.45 -1.73 119.66 122.15 1rje s GLN 327 Ca 0.04 -0.31 -0.11 0.00 0.02 0.00 0.00 55.36 55.00 1rje s GLN 327 Cb -0.22 -3.01 0.01 0.00 1.00 0.00 0.00 33.01 30.79 1rje s GLN 327 CO 0.07 0.71 0.22 1.67 -2.12 0.00 0.00 175.29 175.84 1rje s TRP 328 N -1.10 -0.03 -0.30 0.91 -2.14 -1.19 -3.17 118.94 111.92 1rje s TRP 328 Ca 0.19 -0.07 0.01 0.00 2.66 0.00 0.00 56.10 58.89 1rje s TRP 328 Cb -0.12 0.01 0.14 0.00 -3.10 0.00 0.00 33.47 30.41 1rje s TRP 328 CO 0.09 -0.39 0.33 -1.58 -2.66 0.00 0.00 176.95 172.74 1rje s HIS 329 N -1.90 -0.58 -2.00 1.66 2.46 -1.25 -2.64 115.29 111.03 1rje s HIS 329 Ca -0.10 -0.13 0.14 0.00 0.47 0.00 0.00 55.06 55.44 1rje s HIS 329 Cb -0.04 -0.38 0.82 0.00 -0.13 0.00 0.00 32.58 32.85 1rje s HIS 329 CO -0.00 -0.95 1.25 0.72 -2.47 0.00 0.00 174.74 173.29