#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 0.83 -0.31 3.44 2.43 -2.02 -3.05 114.38 115.70 1rje h ARG 3 Ca 0.00 -0.50 -0.12 0.00 -0.81 0.00 0.00 59.98 58.55 1rje h ARG 3 Cb 0.00 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1rje h ARG 3 CO 0.00 1.13 -0.30 0.82 -1.51 0.00 0.00 179.97 180.11 1rje h ILE 4 N 0.65 1.28 -0.13 1.20 2.04 -1.94 -2.46 117.51 118.16 1rje h ILE 4 Ca 0.03 -1.42 -0.10 0.00 1.00 0.00 0.00 64.86 64.36 1rje h ILE 4 Cb 1.10 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 1rje h ILE 4 CO 0.11 0.46 -0.38 0.40 0.00 0.00 0.00 178.15 178.74 1rje h ILE 5 N 0.55 1.30 0.00 -0.67 2.04 -1.93 -2.74 117.51 116.06 1rje h ILE 5 Ca 0.07 -1.45 -0.08 0.00 1.00 0.00 0.00 64.86 64.40 1rje h ILE 5 Cb 0.80 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 1rje h ILE 5 CO 0.07 0.44 -0.37 1.56 0.00 0.00 0.00 178.15 179.84 1rje h GLN 6 N 0.23 0.00 -0.00 2.37 4.20 -1.39 -3.12 115.11 117.40 1rje h GLN 6 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1rje h GLN 6 Cb 0.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.55 1rje h GLN 6 CO 0.06 0.37 -0.04 1.04 -0.67 0.00 0.00 178.83 179.59 1rje n GLN 7 N -3.63 0.80 0.24 1.46 6.02 -0.95 -3.05 117.38 118.27 1rje n GLN 7 Ca -0.01 -0.17 0.12 0.00 -0.01 0.00 0.00 57.00 56.94 1rje n GLN 7 Cb 0.48 -1.50 0.55 0.00 1.02 0.00 0.00 30.24 30.79 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 0.40 0.41 0.00 5.09 1.35 -1.53 -2.95 112.91 115.68 1rje h THR 8 Ca 0.00 -0.89 -0.04 0.00 -0.55 0.00 0.00 66.41 64.92 1rje h THR 8 Cb 0.24 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 68.30 1rje h THR 8 CO 0.00 0.15 -0.21 -0.78 -0.25 0.00 0.00 175.52 174.43 1rje h ASP 9 N 0.00 0.00 -0.29 5.36 3.58 -1.76 -2.79 116.42 120.53 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 0.64 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 1rje h ASP 9 CO 0.02 0.21 0.01 1.88 -2.88 0.00 0.00 179.24 178.48 1rje h TYR 10 N 0.00 0.65 0.00 0.28 0.99 -1.74 -0.56 116.97 116.59 1rje h TYR 10 Ca -0.00 -0.07 -0.18 0.00 2.00 0.00 0.00 58.73 60.48 1rje h TYR 10 Cb 0.54 -0.18 -0.03 0.00 1.00 0.00 0.00 36.73 38.06 1rje h TYR 10 CO 0.00 0.62 -0.85 -0.44 -0.00 0.00 0.00 178.16 177.49 1rje h ASP 11 N 0.59 0.00 0.92 3.88 3.32 -1.66 -2.34 116.42 121.13 1rje h ASP 11 Ca 0.12 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 1rje h ASP 11 Cb 0.36 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1rje h ASP 11 CO 0.01 0.85 -0.36 0.00 -1.72 0.00 0.00 179.24 178.02 1rje h ALA 12 N 1.15 0.97 0.00 3.45 0.00 -1.20 -2.17 119.26 121.46 1rje h ALA 12 Ca -0.01 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 1rje h ALA 12 Cb 1.52 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 1rje h ALA 12 CO 0.11 0.44 -1.09 1.25 0.00 0.00 0.00 179.25 179.97 1rje h LEU 13 N 0.00 0.00 -0.67 0.00 5.85 -1.11 -3.01 115.31 116.37 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 0.91 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1rje h LEU 13 CO 0.05 0.52 -0.65 0.28 -0.34 0.00 0.00 178.44 178.30 1rje h SER 14 N 0.00 0.10 -0.11 1.25 0.02 -1.27 -2.50 113.55 111.04 1rje h SER 14 Ca -0.10 -0.06 -0.15 0.00 -0.84 0.00 0.00 61.79 60.64 1rje h SER 14 Cb 1.48 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 64.00 1rje h SER 14 CO 0.05 0.72 -0.50 0.00 -1.14 0.00 0.00 176.83 175.96 1rje h LYS 16 N 0.14 0.84 0.00 0.00 1.63 -1.54 -2.23 116.57 115.41 1rje h LYS 16 Ca -0.03 -0.27 -0.01 0.00 -0.85 0.00 0.00 60.65 59.49 1rje h LYS 16 Cb 1.14 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.69 1rje h LYS 16 CO 0.10 0.89 -0.05 -0.07 -3.45 0.00 0.00 179.45 176.88 1rje h LEU 17 N 0.69 0.00 0.02 5.20 3.38 -1.55 -2.86 115.31 120.19 1rje h LEU 17 Ca 0.13 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.88 1rje h LEU 17 Cb 0.52 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1rje h LEU 17 CO 0.03 0.05 -1.05 0.00 0.09 0.00 0.00 178.44 177.56 1rje h ALA 18 N 1.95 0.33 -0.15 1.53 0.00 -1.33 -2.57 119.26 119.02 1rje h ALA 18 Ca -0.00 -0.92 -0.19 0.00 0.00 0.00 0.00 54.91 53.80 1rje h ALA 18 Cb 0.97 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1rje h ALA 18 CO 0.01 1.22 -0.68 0.00 0.00 0.00 0.00 179.25 179.81 1rje h ALA 19 N 0.95 0.54 0.03 0.00 0.00 -1.35 -3.08 119.26 116.36 1rje h ALA 19 Ca -0.03 -0.57 -0.22 0.00 0.00 0.00 0.00 54.91 54.08 1rje h ALA 19 Cb 1.80 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1rje h ALA 19 CO 0.14 0.71 -0.99 0.82 0.00 0.00 0.00 179.25 179.93 1rje h ILE 20 N 0.42 1.51 0.00 0.00 2.04 -1.58 -0.12 117.51 119.78 1rje h ILE 20 Ca -0.02 -2.80 -0.07 0.00 1.00 0.00 0.00 64.86 62.97 1rje h ILE 20 Cb 1.26 2.63 -0.01 0.00 -0.74 0.00 0.00 36.82 39.95 1rje h ILE 20 CO 0.13 0.82 -0.34 -1.28 0.00 0.00 0.00 178.15 177.48 1rje h SER 21 N 0.10 0.00 0.19 1.72 0.87 -1.50 -3.15 113.55 111.78 1rje h SER 21 Ca -0.07 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.14 1rje h SER 21 Cb 1.66 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.61 1rje h SER 21 CO 0.16 0.34 -1.89 0.58 -0.53 0.00 0.00 176.83 175.48 1rje h VAL 22 N 0.00 0.74 0.00 2.23 2.07 -1.58 -3.49 116.25 116.21 1rje h VAL 22 Ca -0.00 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.08 1rje h VAL 22 Cb 0.81 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 1rje h VAL 22 CO 0.04 0.86 0.00 0.61 0.02 0.00 0.00 177.57 179.10 1rje n GLY 23 N 1.91 1.24 0.30 2.17 0.00 -0.89 -4.98 105.19 104.95 1rje n GLY 23 Ca -0.28 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 0.14 -3.41 1.61 0.05 -1.32 -3.40 116.97 110.65 1rje h TYR 24 Ca 0.00 0.06 -0.66 0.00 0.05 0.00 0.00 58.73 58.18 1rje h TYR 24 Cb 0.00 0.08 -0.18 0.00 1.01 0.00 0.00 36.73 37.63 1rje h TYR 24 CO 0.00 -0.26 -0.81 -0.51 -1.05 0.00 0.00 178.16 175.53 1rje s LEU 25 N -10.77 2.59 0.22 3.88 1.43 -1.07 -3.99 118.68 110.97 1rje s LEU 25 Ca -0.13 -0.71 -0.28 0.00 -1.03 0.00 0.00 54.13 51.97 1rje s LEU 25 Cb 0.25 -1.37 -0.09 0.00 0.03 0.00 0.00 46.19 45.02 1rje s LEU 25 CO 0.77 0.14 0.89 -2.16 0.23 0.00 0.00 176.35 176.22 1rje s PRO 26 N -2.47 4.76 -0.57 1.29 0.04 -1.26 -4.19 135.00 132.60 1rje s PRO 26 Ca 0.20 1.38 -0.27 0.00 0.04 0.00 0.00 61.00 62.35 1rje s PRO 26 Cb -0.09 -3.26 0.03 0.00 0.04 0.00 0.00 34.50 31.22 1rje s PRO 26 CO 0.10 0.53 1.13 0.45 0.04 0.00 0.00 177.00 179.25 1rje s SER 27 N -1.19 6.42 0.49 6.66 0.15 -1.26 -4.91 113.70 120.07 1rje s SER 27 Ca 0.40 -0.02 0.28 0.00 0.70 0.00 0.00 55.95 57.31 1rje s SER 27 Cb -0.25 -2.52 1.16 0.00 -1.71 0.00 0.00 66.02 62.70 1rje s SER 27 CO 0.30 -1.42 1.92 0.77 1.20 0.00 0.00 173.24 176.01 1rje h SER 28 N 9.48 0.00 0.05 5.45 4.64 -1.94 -2.53 113.55 128.70 1rje h SER 28 Ca -0.25 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1rje h SER 28 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1rje h SER 28 CO 1.16 0.13 -0.02 1.23 -0.87 0.00 0.00 176.83 178.45 1rje h GLY 29 N 1.92 -0.07 1.34 -0.77 0.00 -1.91 -2.81 103.07 100.77 1rje h GLY 29 Ca -0.00 0.02 -0.26 0.00 0.00 0.00 0.00 47.33 47.10 1rje h GLY 29 CO 0.02 -0.02 -1.05 1.41 0.00 0.00 0.00 176.54 176.90 1rje h LEU 30 N -0.96 0.77 -0.00 3.11 3.38 -1.98 -3.15 115.31 116.48 1rje h LEU 30 Ca -0.01 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1rje h LEU 30 Cb 0.54 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1rje h LEU 30 CO 0.01 1.44 0.00 0.00 0.09 0.00 0.00 178.44 179.98 1rje n GLN 31 N -3.80 0.05 -3.50 1.13 6.02 -0.95 -4.61 117.38 111.72 1rje n GLN 31 Ca -0.10 0.04 -0.19 0.00 -0.01 0.00 0.00 57.00 56.75 1rje n GLN 31 Cb 0.89 -1.56 0.08 0.00 1.02 0.00 0.00 30.24 30.66 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 -1.65 -6.66 -3.94 -1.09 1.74 -1.16 -5.01 116.66 98.89 1rje n ARG 32 Ca 0.07 0.82 -0.37 0.00 -0.77 0.00 0.00 57.85 57.60 1rje n ARG 32 Cb 0.36 -5.79 -0.07 0.00 -1.02 0.00 0.00 32.46 25.94 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 -6.59 4.28 0.00 0.55 1.43 -1.07 -5.05 118.68 112.23 1rje s LEU 33 Ca 0.12 0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 53.52 1rje s LEU 33 Cb -0.05 -2.04 0.17 0.00 0.03 0.00 0.00 46.19 44.30 1rje s LEU 33 CO 0.74 0.40 0.73 -1.54 0.23 0.00 0.00 176.35 176.91 1rje n SER 34 N 2.04 -0.97 -0.14 2.29 3.41 -1.26 -4.76 113.62 114.24 1rje n SER 34 Ca -0.20 -1.07 -0.09 0.00 -0.26 0.00 0.00 58.87 57.25 1rje n SER 34 Cb 0.55 -0.62 0.04 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.94 1.27 -0.05 -3.33 2.07 -1.99 -1.94 116.25 110.34 1rje h VAL 35 Ca -0.26 -1.33 -0.21 0.00 0.82 0.00 0.00 66.70 65.72 1rje h VAL 35 Cb 0.75 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1rje h VAL 35 CO 0.17 0.46 -0.85 0.44 0.02 0.00 0.00 177.57 177.81 1rje h ASP 36 N 0.80 0.59 1.89 0.57 5.19 -2.00 -3.06 116.42 120.39 1rje h ASP 36 Ca 0.11 -0.43 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 1rje h ASP 36 Cb 0.74 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.07 1rje h ASP 36 CO 0.06 1.21 0.00 0.25 -3.12 0.00 0.00 179.24 177.64 1rje h LEU 37 N 0.30 0.00 0.02 1.55 5.85 -1.91 -2.50 115.31 118.62 1rje h LEU 37 Ca -0.06 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.40 1rje h LEU 37 Cb 1.46 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.50 1rje h LEU 37 CO 0.15 0.00 -1.15 0.28 -0.34 0.00 0.00 178.44 177.39 1rje h SER 38 N 0.00 0.52 0.34 1.25 0.02 -1.39 -2.17 113.55 112.12 1rje h SER 38 Ca 0.00 -0.50 -0.09 0.00 -0.84 0.00 0.00 61.79 60.36 1rje h SER 38 Cb 0.94 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 1rje h SER 38 CO 0.00 1.35 -0.40 0.50 -1.14 0.00 0.00 176.83 177.14 1rje h LYS 39 N 0.15 0.08 0.00 3.45 3.64 -1.49 -2.93 116.57 119.47 1rje h LYS 39 Ca -0.13 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.07 1rje h LYS 39 Cb 1.83 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.63 1rje h LYS 39 CO 0.20 0.47 -0.71 0.87 -2.27 0.00 0.00 179.45 178.01 1rje h LYS 40 N 0.07 0.00 -0.48 1.90 1.57 -1.41 -2.46 116.57 115.77 1rje h LYS 40 Ca 0.01 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1rje h LYS 40 Cb 0.73 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1rje h LYS 40 CO 0.05 0.71 -0.10 -0.92 -0.57 0.00 0.00 179.45 178.62 1rje h TYR 41 N 0.00 0.97 -0.05 -1.35 3.20 -1.21 -1.56 116.97 116.97 1rje h TYR 41 Ca -0.01 -0.19 -0.20 0.00 3.14 0.00 0.00 58.73 61.48 1rje h TYR 41 Cb 1.33 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 39.35 1rje h TYR 41 CO 0.00 0.93 -0.80 1.15 -1.64 0.00 0.00 178.16 177.80 1rje h THR 42 N 0.79 1.39 -0.00 1.81 2.02 -1.54 -3.25 112.91 114.13 1rje h THR 42 Ca 0.13 -2.25 -0.14 0.00 0.77 0.00 0.00 66.41 64.92 1rje h THR 42 Cb 0.62 2.22 -0.02 0.00 -1.74 0.00 0.00 68.15 69.23 1rje h THR 42 CO 0.04 0.68 -0.66 -0.33 0.37 0.00 0.00 175.52 175.62 1rje h GLU 43 N 0.26 0.02 0.01 6.66 5.08 -1.22 -2.47 114.58 122.91 1rje h GLU 43 Ca -0.05 -0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 58.05 1rje h GLU 43 Cb 1.40 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.66 1rje h GLU 43 CO 0.14 0.67 -1.00 -1.49 -1.00 0.00 0.00 179.01 176.33 1rje h TRP 44 N 0.01 0.79 0.10 4.33 6.55 -1.38 -2.78 115.95 123.57 1rje h TRP 44 Ca -0.01 -0.44 -0.26 0.00 0.95 0.00 0.00 58.89 59.13 1rje h TRP 44 Cb 1.16 -0.09 -0.00 0.00 -0.86 0.00 0.00 29.16 29.37 1rje h TRP 44 CO 0.00 1.26 -1.22 0.45 -1.05 0.00 0.00 178.44 177.88 1rje h HIS 45 N 0.30 0.38 -0.29 0.49 3.86 -1.59 -2.53 115.15 115.76 1rje h HIS 45 Ca -0.10 -0.28 -0.12 0.00 -1.16 0.00 0.00 60.37 58.71 1rje h HIS 45 Cb 1.64 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 30.08 1rje h HIS 45 CO 0.08 1.23 -0.31 0.00 0.86 0.00 0.00 177.93 179.79 1rje h ARG 46 N 0.06 0.62 0.00 2.45 3.08 -1.54 -2.76 114.38 116.28 1rje h ARG 46 Ca -0.12 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1rje h ARG 46 Cb 1.93 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.97 1rje h ARG 46 CO 0.18 0.85 0.00 1.03 -1.07 0.00 0.00 179.97 180.96 1rje h SER 47 N 0.53 0.00 0.95 7.04 0.87 -1.53 -2.94 113.55 118.46 1rje h SER 47 Ca 0.06 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.44 1rje h SER 47 Cb 0.80 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.73 1rje h SER 47 CO 0.07 0.00 -0.87 0.22 -0.53 0.00 0.00 176.83 175.71 1rje h TYR 48 N 0.00 0.00 0.07 2.24 3.20 -1.18 -2.71 116.97 118.58 1rje h TYR 48 Ca 0.00 0.00 -0.28 0.00 3.14 0.00 0.00 58.73 61.59 1rje h TYR 48 Cb 0.77 0.00 0.03 0.00 1.54 0.00 0.00 36.73 39.06 1rje h TYR 48 CO 0.00 0.87 -1.14 1.25 -1.64 0.00 0.00 178.16 177.50 1rje h LEU 49 N 0.00 0.88 -0.51 2.82 5.85 -1.40 -2.34 115.31 120.61 1rje h LEU 49 Ca -0.01 -0.79 -0.16 0.00 0.84 0.00 0.00 57.88 57.76 1rje h LEU 49 Cb 1.58 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 1rje h LEU 49 CO 0.11 1.57 -0.55 0.40 -0.34 0.00 0.00 178.44 179.63 1rje h ILE 50 N 0.30 1.32 0.00 4.05 2.04 -1.62 -2.77 117.51 120.83 1rje h ILE 50 Ca -0.16 -1.81 -0.13 0.00 1.00 0.00 0.00 64.86 63.77 1rje h ILE 50 Cb 1.81 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 39.65 1rje h ILE 50 CO 0.22 0.56 -0.60 0.74 0.00 0.00 0.00 178.15 179.08 1rje h THR 51 N 0.43 1.26 0.00 -0.27 2.02 -1.57 -2.91 112.91 111.86 1rje h THR 51 Ca 0.01 -2.16 -0.07 0.00 0.77 0.00 0.00 66.41 64.95 1rje h THR 51 Cb 1.10 2.22 -0.01 0.00 -1.74 0.00 0.00 68.15 69.72 1rje h THR 51 CO 0.10 0.58 -0.36 0.25 0.37 0.00 0.00 175.52 176.47 1rje h LEU 52 N 0.00 0.00 -0.46 2.58 5.85 -1.30 -2.83 115.31 119.16 1rje h LEU 52 Ca -0.01 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 1rje h LEU 52 Cb 1.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1rje h LEU 52 CO 0.08 0.36 -0.23 0.50 -0.34 0.00 0.00 178.44 178.81 1rje h LYS 53 N 0.00 0.97 -0.59 1.25 3.64 -1.30 -1.46 116.57 119.09 1rje h LYS 53 Ca -0.00 -0.43 -0.03 0.00 -1.27 0.00 0.00 60.65 58.92 1rje h LYS 53 Cb 0.70 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 1rje h LYS 53 CO 0.05 1.10 0.25 -0.22 -2.27 0.00 0.00 179.45 178.35 1rje h LYS 54 N 0.81 0.84 -0.00 1.90 3.64 -1.43 -3.09 116.57 119.25 1rje h LYS 54 Ca 0.10 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1rje h LYS 54 Cb 0.81 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1rje h LYS 54 CO 0.07 0.68 -0.64 1.19 -2.27 0.00 0.00 179.45 178.48 1rje n PHE 55 N -4.34 0.00 -3.57 1.91 3.72 -1.11 -4.92 117.46 109.15 1rje n PHE 55 Ca 0.05 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.43 1rje n PHE 55 Cb 0.15 -0.10 -0.05 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 -2.84 -0.71 -0.02 4.37 0.15 -0.56 -5.03 113.70 109.06 1rje s SER 56 Ca 0.13 1.06 -0.06 0.00 0.70 0.00 0.00 55.95 57.78 1rje s SER 56 Cb 0.17 1.56 -0.29 0.00 -1.71 0.00 0.00 66.02 65.75 1rje s SER 56 CO 0.71 -0.16 0.77 -0.09 1.20 0.00 0.00 173.24 175.68 1rje h ARG 57 N 6.98 0.31 -0.14 5.44 2.43 -1.82 -3.14 114.38 124.44 1rje h ARG 57 Ca -0.23 -0.53 -0.22 0.00 -0.81 0.00 0.00 59.98 58.20 1rje h ARG 57 Cb 1.16 0.20 0.01 0.00 -0.42 0.00 0.00 29.97 30.91 1rje h ARG 57 CO 0.14 1.19 -0.77 -0.09 -1.51 0.00 0.00 179.97 178.93 1rje h ARG 58 N 0.08 0.71 -0.10 0.20 2.43 -1.95 -1.85 114.38 113.92 1rje h ARG 58 Ca -0.29 -0.58 -0.20 0.00 -0.81 0.00 0.00 59.98 58.10 1rje h ARG 58 Cb 2.05 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.73 1rje h ARG 58 CO 0.17 1.19 -0.77 0.00 -1.51 0.00 0.00 179.97 179.05 1rje h ALA 59 N 0.64 0.47 0.00 2.80 0.00 -1.91 -2.69 119.26 118.56 1rje h ALA 59 Ca -0.05 -0.62 -0.06 0.00 0.00 0.00 0.00 54.91 54.19 1rje h ALA 59 Cb 1.39 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1rje h ALA 59 CO 0.15 0.74 -0.27 0.35 0.00 0.00 0.00 179.25 180.22 1rje h PHE 60 N 0.37 0.00 -0.01 0.00 3.57 -1.59 -2.60 116.94 116.68 1rje h PHE 60 Ca -0.05 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.22 1rje h PHE 60 Cb 1.37 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.12 1rje h PHE 60 CO 0.06 0.27 -0.96 0.78 -2.23 0.00 0.00 178.31 176.23 1rje h GLY 61 N 2.07 0.58 1.82 2.40 0.00 -1.20 -1.76 103.07 106.97 1rje h GLY 61 Ca -0.00 -0.99 -0.20 0.00 0.00 0.00 0.00 47.33 46.14 1rje h GLY 61 CO 0.03 0.87 -0.90 0.50 0.00 0.00 0.00 176.54 177.05 1rje h LYS 62 N 0.30 0.16 0.07 4.80 1.57 -1.48 -2.91 116.57 119.08 1rje h LYS 62 Ca -0.09 -0.18 -0.26 0.00 -1.87 0.00 0.00 60.65 58.24 1rje h LYS 62 Cb 1.59 0.06 0.02 0.00 0.08 0.00 0.00 32.23 33.98 1rje h LYS 62 CO 0.17 0.95 -1.08 0.28 -0.57 0.00 0.00 179.45 179.21 1rje h VAL 63 N 0.08 1.31 -0.19 0.50 2.07 -1.51 -3.12 116.25 115.39 1rje h VAL 63 Ca -0.04 -2.35 -0.08 0.00 0.82 0.00 0.00 66.70 65.04 1rje h VAL 63 Cb 1.54 2.63 -0.00 0.00 -1.52 0.00 0.00 31.29 33.94 1rje h VAL 63 CO 0.13 0.71 -0.21 -0.78 0.02 0.00 0.00 177.57 177.45 1rje h ASP 64 N 0.22 0.52 -0.51 0.57 3.58 -1.41 -2.34 116.42 117.04 1rje h ASP 64 Ca -0.16 -0.49 -0.12 0.00 0.42 0.00 0.00 57.03 56.69 1rje h ASP 64 Cb 1.76 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 42.65 1rje h ASP 64 CO 0.21 0.90 -0.13 0.11 -2.88 0.00 0.00 179.24 177.44 1rje h LYS 65 N 0.15 0.99 0.00 0.28 1.57 -1.65 -2.58 116.57 115.33 1rje h LYS 65 Ca 0.03 -0.39 -0.12 0.00 -1.87 0.00 0.00 60.65 58.30 1rje h LYS 65 Cb 0.76 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 1rje h LYS 65 CO 0.05 1.06 -0.59 0.00 -0.57 0.00 0.00 179.45 179.40 1rje h ALA 66 N 0.90 1.01 -0.24 3.86 0.00 -1.61 -2.95 119.26 120.23 1rje h ALA 66 Ca 0.13 -0.54 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 1rje h ALA 66 Cb 0.70 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1rje h ALA 66 CO 0.05 0.74 -0.48 1.98 0.00 0.00 0.00 179.25 181.54 1rje h MET 67 N 0.00 0.74 0.00 0.00 1.85 -1.24 -2.96 114.93 113.32 1rje h MET 67 Ca -0.01 -0.48 0.00 0.00 -0.61 0.00 0.00 59.70 58.60 1rje h MET 67 Cb 1.05 0.06 0.00 0.00 0.43 0.00 0.00 31.60 33.14 1rje h MET 67 CO 0.08 1.10 0.00 0.00 -0.40 0.00 0.00 176.91 177.69 1rje h ARG 68 N 0.47 0.00 -0.65 0.39 -0.00 -1.52 -3.12 114.38 109.95 1rje h ARG 68 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 1rje h ARG 68 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.05 1rje h ARG 68 CO 0.11 0.00 0.00 -1.13 0.00 0.00 0.00 179.97 178.95 1rje n SER 69 N -3.08 4.04 -4.75 7.04 3.41 -1.11 -4.98 113.62 114.19 1rje n SER 69 Ca 0.03 -2.25 -0.41 0.00 -0.26 0.00 0.00 58.87 55.98 1rje n SER 69 Cb 0.48 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 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 -0.91 6.99 0.39 4.04 0.15 -1.12 -5.04 113.70 118.20 1rje s SER 70 Ca 0.45 2.38 0.00 0.00 0.70 0.00 0.00 55.95 59.49 1rje s SER 70 Cb 0.27 -2.62 -0.02 0.00 -1.71 0.00 0.00 66.02 61.94 1rje s SER 70 CO 0.25 -0.42 0.61 -0.36 1.20 0.00 0.00 173.24 174.51 1rje s PHE 71 N -0.35 3.39 0.33 3.44 0.08 -1.26 -5.01 117.98 118.61 1rje s PHE 71 Ca 0.52 0.31 0.07 0.00 0.12 0.00 0.00 56.93 57.95 1rje s PHE 71 Cb -0.35 -2.08 0.74 0.00 -0.57 0.00 0.00 43.02 40.76 1rje s PHE 71 CO 0.41 -0.09 1.84 -1.35 -0.10 0.00 0.00 175.22 175.94 1rje h PRO 72 N 0.59 0.75 -0.67 0.24 0.11 -1.96 -2.65 132.00 128.42 1rje h PRO 72 Ca -0.48 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.50 1rje h PRO 72 Cb 1.23 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1rje h PRO 72 CO 0.60 0.50 0.10 0.28 -0.21 0.00 0.00 178.00 179.26 1rje h VAL 73 N 0.78 1.27 0.00 3.15 2.07 -1.95 -2.24 116.25 119.33 1rje h VAL 73 Ca 0.48 -1.06 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 1rje h VAL 73 Cb 0.70 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1rje h VAL 73 CO -0.25 0.40 -0.31 0.24 0.02 0.00 0.00 177.57 177.67 1rje h MET 74 N 1.04 0.00 0.00 1.57 2.86 -1.88 -2.54 114.93 115.98 1rje h MET 74 Ca 0.20 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.69 1rje h MET 74 Cb 0.46 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 1rje h MET 74 CO 0.02 0.31 -0.74 -0.91 1.06 0.00 0.00 176.91 176.65 1rje h ASN 75 N 0.00 0.00 0.56 1.22 2.35 -1.20 -2.76 115.58 115.74 1rje h ASN 75 Ca -0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.59 1rje h ASN 75 Cb 0.69 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.05 1rje h ASN 75 CO 0.04 0.74 -0.70 1.88 -1.65 0.00 0.00 177.43 177.74 1rje h TYR 76 N 0.00 0.16 0.00 1.19 -1.99 -1.20 -2.51 116.97 112.62 1rje h TYR 76 Ca -0.01 -0.07 -0.13 0.00 2.00 0.00 0.00 58.73 60.52 1rje h TYR 76 Cb 1.54 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 40.23 1rje h TYR 76 CO 0.00 0.78 -0.61 0.78 -0.00 0.00 0.00 178.16 179.11 1rje h GLY 77 N 1.81 0.00 2.00 3.88 0.00 -1.44 -2.79 103.07 106.54 1rje h GLY 77 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.15 1rje h GLY 77 CO 0.10 0.00 -0.79 -0.84 0.00 0.00 0.00 176.54 175.01 1rje h THR 78 N 0.00 1.44 -0.06 4.70 2.02 -1.44 -2.88 112.91 116.69 1rje h THR 78 Ca -0.01 -2.81 -0.04 0.00 0.77 0.00 0.00 66.41 64.32 1rje h THR 78 Cb 1.08 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 70.06 1rje h THR 78 CO 0.08 0.77 -0.13 0.22 0.37 0.00 0.00 175.52 176.83 1rje h TYR 79 N 0.00 0.25 -0.04 3.16 3.20 -1.34 -2.33 116.97 119.87 1rje h TYR 79 Ca -0.01 -0.09 -0.12 0.00 3.14 0.00 0.00 58.73 61.65 1rje h TYR 79 Cb 1.50 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.71 1rje h TYR 79 CO 0.00 0.73 -0.51 -0.07 -1.64 0.00 0.00 178.16 176.67 1rje h LEU 80 N -0.31 0.12 -0.95 2.82 3.38 -1.62 -1.88 115.31 116.87 1rje h LEU 80 Ca 0.00 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1rje h LEU 80 Cb 0.73 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1rje h LEU 80 CO 0.03 0.61 -0.30 -0.09 0.09 0.00 0.00 178.44 178.78 1rje h ARG 81 N 0.09 0.40 0.04 1.13 2.43 -1.52 -2.39 114.38 114.55 1rje h ARG 81 Ca 0.00 -0.16 -0.26 0.00 -0.81 0.00 0.00 59.98 58.75 1rje h ARG 81 Cb 0.94 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 1rje h ARG 81 CO 0.07 0.67 -1.43 1.15 -1.51 0.00 0.00 179.97 178.92 1rje h THR 82 N 0.35 0.87 0.00 0.20 2.02 -1.26 -3.31 112.91 111.78 1rje h THR 82 Ca 0.05 -2.24 0.00 0.00 0.77 0.00 0.00 66.41 64.98 1rje h THR 82 Cb 0.71 2.36 0.00 0.00 -1.74 0.00 0.00 68.15 69.48 1rje h THR 82 CO 0.05 0.50 0.00 -0.37 0.37 0.00 0.00 175.52 176.07 1rje h VAL 83 N -0.68 0.00 -0.02 3.16 -1.51 -1.47 -2.20 116.25 113.53 1rje h VAL 83 Ca -0.36 -0.45 -0.14 0.00 -1.23 0.00 0.00 66.70 64.53 1rje h VAL 83 Cb 1.52 1.37 0.01 0.00 -2.13 0.00 0.00 31.29 32.06 1rje h VAL 83 CO -0.11 0.00 -0.52 1.23 -1.23 0.00 0.00 177.57 176.94 1rje h GLY 84 N 3.71 0.43 1.57 5.19 0.00 -1.59 -2.25 103.07 110.12 1rje h GLY 84 Ca 0.00 -0.72 -0.14 0.00 0.00 0.00 0.00 47.33 46.47 1rje h GLY 84 CO 0.00 0.63 -0.49 -2.22 0.00 0.00 0.00 176.54 174.46 1rje h ILE 85 N -0.14 1.32 -0.01 2.60 2.04 -1.63 -3.00 117.51 118.68 1rje h ILE 85 Ca -0.06 -1.71 -0.13 0.00 1.00 0.00 0.00 64.86 63.95 1rje h ILE 85 Cb 1.23 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 39.02 1rje h ILE 85 CO 0.10 0.53 -0.62 0.44 0.00 0.00 0.00 178.15 178.61 1rje h ASP 86 N 0.37 0.05 0.55 1.72 3.32 -1.47 -2.57 116.42 118.39 1rje h ASP 86 Ca 0.02 -0.03 -0.18 0.00 0.02 0.00 0.00 57.03 56.86 1rje h ASP 86 Cb 0.99 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1rje h ASP 86 CO 0.09 0.65 -0.78 0.00 -1.72 0.00 0.00 179.24 177.48 1rje h ALA 87 N 1.35 0.65 -0.00 3.45 0.00 -1.38 -2.58 119.26 120.74 1rje h ALA 87 Ca -0.01 -0.67 -0.16 0.00 0.00 0.00 0.00 54.91 54.08 1rje h ALA 87 Cb 1.10 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1rje h ALA 87 CO 0.08 0.87 -0.75 0.00 0.00 0.00 0.00 179.25 179.45 1rje h ALA 88 N 1.08 0.75 -0.15 0.00 0.00 -1.46 -3.05 119.26 116.43 1rje h ALA 88 Ca -0.03 -0.67 -0.22 0.00 0.00 0.00 0.00 54.91 53.99 1rje h ALA 88 Cb 1.37 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.05 1rje h ALA 88 CO 0.12 0.92 -0.77 0.82 0.00 0.00 0.00 179.25 180.34 1rje h ILE 89 N 0.02 1.28 -0.32 0.00 2.04 -1.42 -3.11 117.51 116.00 1rje h ILE 89 Ca -0.01 -1.97 -0.13 0.00 1.00 0.00 0.00 64.86 63.75 1rje h ILE 89 Cb 1.32 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.39 1rje h ILE 89 CO 0.10 0.62 -0.34 -0.07 0.00 0.00 0.00 178.15 178.46 1rje h LEU 90 N 0.51 0.74 -0.86 1.44 3.38 -1.51 -2.17 115.31 116.84 1rje h LEU 90 Ca -0.05 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.50 1rje h LEU 90 Cb 1.40 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1rje h LEU 90 CO 0.16 1.01 -0.26 -0.33 0.09 0.00 0.00 178.44 179.11 1rje h GLU 91 N 0.59 0.55 0.00 1.13 5.08 -1.62 -2.74 114.58 117.56 1rje h GLU 91 Ca 0.06 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.10 1rje h GLU 91 Cb 0.86 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1rje h GLU 91 CO 0.08 0.76 -0.49 0.35 -1.00 0.00 0.00 179.01 178.71 1rje h PHE 92 N 0.48 0.00 0.00 4.33 3.57 -1.45 -3.12 116.94 120.75 1rje h PHE 92 Ca 0.07 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1rje h PHE 92 Cb 0.70 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 1rje h PHE 92 CO 0.03 0.49 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.34 1rje h LEU 93 N 0.00 0.00 -0.15 0.59 -0.00 -1.15 -1.95 115.31 112.65 1rje h LEU 93 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.78 1rje h LEU 93 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.62 1rje h LEU 93 CO 0.06 0.18 -0.29 0.58 -0.00 0.00 0.00 178.44 178.97 1rje h VAL 94 N 0.00 1.36 0.00 1.22 2.07 -1.43 -3.24 116.25 116.22 1rje h VAL 94 Ca -0.00 -1.54 -0.06 0.00 0.82 0.00 0.00 66.70 65.92 1rje h VAL 94 Cb 1.08 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 1rje h VAL 94 CO 0.02 0.46 -0.28 0.00 0.02 0.00 0.00 177.57 177.79 1rje h ALA 95 N 0.57 0.90 -3.23 1.67 0.00 -1.55 -3.43 119.26 114.19 1rje h ALA 95 Ca 0.01 -0.26 -0.50 0.00 0.00 0.00 0.00 54.91 54.16 1rje h ALA 95 Cb 0.88 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 18.23 1rje h ALA 95 CO 0.07 0.35 -0.76 -0.80 0.00 0.00 0.00 179.25 178.11 1rje s ASN 96 N -6.27 2.63 -0.02 0.00 0.01 -0.74 -5.04 114.94 105.52 1rje s ASN 96 Ca 0.03 -0.69 -0.23 0.00 -0.71 0.00 0.00 52.86 51.26 1rje s ASN 96 Cb 0.09 -0.51 -0.15 0.00 0.41 0.00 0.00 41.25 41.09 1rje s ASN 96 CO 0.67 -0.30 1.03 -0.08 -1.51 0.00 0.00 177.10 176.91 1rje h GLU 97 N 8.29 -0.41 -5.80 -0.60 4.81 -1.84 -3.39 114.58 115.65 1rje h GLU 97 Ca -0.16 0.03 -0.61 0.00 -0.13 0.00 0.00 59.36 58.48 1rje h GLU 97 Cb 1.13 0.09 -0.12 0.00 0.63 0.00 0.00 28.75 30.48 1rje h GLU 97 CO 0.32 -0.08 0.38 0.21 -0.73 0.00 0.00 179.01 179.10 1rje s LYS 98 N -4.10 3.68 0.12 1.92 2.20 -1.26 -4.55 119.74 117.75 1rje s LYS 98 Ca -0.13 0.22 0.03 0.00 -0.36 0.00 0.00 55.97 55.74 1rje s LYS 98 Cb 0.01 -3.84 -0.04 0.00 -1.51 0.00 0.00 37.83 32.45 1rje s LYS 98 CO 0.47 -0.92 -0.09 0.08 -0.36 0.00 0.00 175.35 174.54 1rje s VAL 99 N 3.16 0.96 -0.06 4.02 1.01 -1.17 -4.18 120.40 124.13 1rje s VAL 99 Ca 0.31 -1.96 0.02 0.00 0.00 0.00 0.00 61.98 60.35 1rje s VAL 99 Cb -0.13 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.55 1rje s VAL 99 CO 0.18 -0.77 -0.09 0.00 0.00 0.00 0.00 175.10 174.42 1rje s GLN 100 N -3.66 1.34 -0.02 2.72 -2.07 -0.28 -1.62 119.66 116.07 1rje s GLN 100 Ca 0.13 -0.28 -0.01 0.00 -1.82 0.00 0.00 55.36 53.38 1rje s GLN 100 Cb 0.03 -1.18 -0.04 0.00 -1.09 0.00 0.00 33.01 30.73 1rje s GLN 100 CO -0.02 -0.02 0.06 0.08 -1.32 0.00 0.00 175.29 174.07 1rje s VAL 101 N 0.79 4.64 -0.43 3.63 1.01 -1.01 -1.86 120.40 127.18 1rje s VAL 101 Ca -0.13 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1rje s VAL 101 Cb -0.15 -3.09 0.15 0.00 0.00 0.00 0.00 36.38 33.29 1rje s VAL 101 CO 0.02 0.40 0.28 -0.69 0.00 0.00 0.00 175.10 175.10 1rje s VAL 102 N -1.13 0.85 -0.81 2.92 1.01 -0.95 -0.66 120.40 121.63 1rje s VAL 102 Ca 0.21 -2.45 -0.25 0.00 0.00 0.00 0.00 61.98 59.48 1rje s VAL 102 Cb -0.12 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.67 1rje s VAL 102 CO 0.11 -1.02 1.64 0.21 0.00 0.00 0.00 175.10 176.05 1rje s ASN 103 N 0.36 5.75 0.07 3.32 3.84 -0.55 -2.68 114.94 125.04 1rje s ASN 103 Ca 0.22 -0.53 -0.30 0.00 0.21 0.00 0.00 52.86 52.46 1rje s ASN 103 Cb -0.15 -2.55 -0.05 0.00 -0.55 0.00 0.00 41.25 37.94 1rje s ASN 103 CO -0.06 -2.13 1.09 -0.76 -2.79 0.00 0.00 177.10 172.45 1rje s LEU 104 N 7.54 4.40 -0.94 3.21 1.43 0.03 -2.27 118.68 132.08 1rje s LEU 104 Ca 0.55 1.90 -0.02 0.00 -1.03 0.00 0.00 54.13 55.53 1rje s LEU 104 Cb -0.07 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 1rje s LEU 104 CO 0.07 -0.32 0.80 0.61 0.23 0.00 0.00 176.35 177.73 1rje n GLY 105 N 2.81 -0.44 0.20 -3.19 0.00 -0.59 -4.11 105.19 99.87 1rje n GLY 105 Ca 0.06 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 0.20 3.08 1.61 0.00 0.00 -1.26 -2.61 105.19 106.22 1rje n GLY 107 Ca -0.04 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 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 7.87 3.49 -4.70 1.61 7.64 -1.26 -4.93 113.62 123.34 1rje n SER 108 Ca 0.00 -3.75 -0.42 0.00 1.01 0.00 0.00 58.87 55.71 1rje n SER 108 Cb 0.00 -0.70 -0.03 0.00 -1.01 0.00 0.00 64.21 62.48 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 -2.28 7.29 -0.37 6.43 2.15 -1.07 -4.95 116.67 123.86 1rje s ASP 109 Ca 0.50 1.57 0.05 0.00 0.43 0.00 0.00 52.55 55.11 1rje s ASP 109 Cb 0.44 -2.55 0.45 0.00 -0.30 0.00 0.00 42.92 40.95 1rje s ASP 109 CO 0.02 -0.34 1.29 0.18 -0.17 0.00 0.00 175.17 176.15 1rje n LEU 110 N 4.41 5.25 -0.02 -1.34 4.77 -1.26 -4.67 117.00 124.14 1rje n LEU 110 Ca 0.07 -4.78 0.14 0.00 -0.03 0.00 0.00 56.01 51.40 1rje n LEU 110 Cb 0.50 -0.45 0.57 0.00 -2.33 0.00 0.00 43.42 41.72 1rje n LEU 110 CO 0.52 2.06 0.87 -2.11 -1.33 0.00 0.00 177.39 177.39 1rje n ARG 111 N -0.69 0.16 0.20 3.23 1.85 -1.26 -3.42 116.66 116.72 1rje n ARG 111 Ca 0.45 -0.03 0.08 0.00 -1.00 0.00 0.00 57.85 57.35 1rje n ARG 111 Cb 0.86 -1.50 0.32 0.00 -1.05 0.00 0.00 32.46 31.09 1rje n ARG 111 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1rje h MET 112 N 0.08 0.00 -0.07 2.89 -0.00 -1.99 -3.22 114.93 112.62 1rje h MET 112 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.63 1rje h MET 112 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.05 1rje h MET 112 CO 0.00 0.29 -0.22 -0.07 -0.00 0.00 0.00 176.91 176.91 1rje h LEU 113 N 0.00 0.32 -1.14 -0.10 3.38 -1.94 -2.01 115.31 113.82 1rje h LEU 113 Ca -0.00 -0.61 -0.08 0.00 0.09 0.00 0.00 57.88 57.28 1rje h LEU 113 Cb 0.94 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1rje h LEU 113 CO 0.04 0.88 -0.22 -0.65 0.09 0.00 0.00 178.44 178.57 1rje h PRO 114 N -0.22 0.33 0.00 1.13 0.11 -1.77 -3.17 132.00 128.41 1rje h PRO 114 Ca -0.01 -0.11 -0.07 0.00 0.11 0.00 0.00 66.00 65.92 1rje h PRO 114 Cb 0.85 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 1rje h PRO 114 CO 0.05 0.54 -0.36 -0.07 -0.21 0.00 0.00 178.00 177.95 1rje h LEU 115 N 0.30 0.00 0.19 2.35 3.38 -1.55 -2.82 115.31 117.16 1rje h LEU 115 Ca 0.05 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.71 1rje h LEU 115 Cb 0.56 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.33 1rje h LEU 115 CO 0.04 0.36 -1.44 -0.07 0.09 0.00 0.00 178.44 177.41 1rje h LEU 116 N 0.00 0.61 -0.50 1.67 3.38 -1.37 -2.83 115.31 116.27 1rje h LEU 116 Ca -0.00 -0.71 -0.16 0.00 0.09 0.00 0.00 57.88 57.10 1rje h LEU 116 Cb 0.92 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1rje h LEU 116 CO 0.05 1.56 -0.49 -0.61 0.09 0.00 0.00 178.44 179.04 1rje h GLN 117 N 0.11 0.66 0.20 1.13 4.15 -1.56 -3.31 115.11 116.47 1rje h GLN 117 Ca -0.22 -0.39 -0.31 0.00 0.77 0.00 0.00 58.65 58.50 1rje h GLN 117 Cb 2.08 0.03 0.02 0.00 0.21 0.00 0.00 27.48 29.82 1rje h GLN 117 CO 0.22 1.00 -1.40 0.52 -1.93 0.00 0.00 178.83 177.25 1rje h MET 118 N 0.52 0.42 -4.78 1.69 2.86 -1.62 -3.43 114.93 110.59 1rje h MET 118 Ca 0.02 -0.71 -0.68 0.00 -2.06 0.00 0.00 59.70 56.28 1rje h MET 118 Cb 1.04 0.26 -0.35 0.00 0.06 0.00 0.00 31.60 32.62 1rje h MET 118 CO 0.10 1.34 -0.72 -0.06 1.06 0.00 0.00 176.91 178.62 1rje s PHE 119 N -2.62 3.32 0.14 -0.22 0.08 -1.07 -5.00 117.98 112.60 1rje s PHE 119 Ca -0.07 -2.12 0.20 0.00 0.12 0.00 0.00 56.93 55.06 1rje s PHE 119 Cb 0.05 -2.17 0.71 0.00 -0.57 0.00 0.00 43.02 41.04 1rje s PHE 119 CO 0.92 -0.85 1.74 -1.00 -0.10 0.00 0.00 175.22 175.93 1rje h PRO 120 N 7.91 0.00 -0.56 0.24 0.13 -1.84 -3.12 132.00 134.76 1rje h PRO 120 Ca -0.19 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.92 1rje h PRO 120 Cb 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1rje h PRO 120 CO 0.52 0.33 0.02 0.72 -0.23 0.00 0.00 178.00 179.36 1rje n HIS 121 N -3.47 2.02 -3.65 1.56 8.25 -1.26 -4.93 115.22 113.73 1rje n HIS 121 Ca 0.00 -0.78 -0.36 0.00 -0.26 0.00 0.00 57.72 56.32 1rje n HIS 121 Cb 0.50 -0.51 -0.08 0.00 1.12 0.00 0.00 29.99 31.01 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 -2.80 4.17 0.55 2.41 0.20 -1.18 -3.06 118.68 118.96 1rje s LEU 122 Ca 0.54 0.23 0.06 0.00 0.69 0.00 0.00 54.13 55.64 1rje s LEU 122 Cb 0.41 -2.16 0.06 0.00 -0.43 0.00 0.00 46.19 44.08 1rje s LEU 122 CO 0.15 0.10 0.76 0.00 -0.29 0.00 0.00 176.35 177.07 1rje s ALA 123 N 0.74 4.33 -0.12 5.97 0.00 -0.64 -4.88 121.76 127.17 1rje s ALA 123 Ca 0.10 -1.77 -0.25 0.00 0.00 0.00 0.00 51.96 50.03 1rje s ALA 123 Cb -0.13 -1.72 0.06 0.00 0.00 0.00 0.00 23.12 21.33 1rje s ALA 123 CO 0.02 -0.77 0.61 -0.47 0.00 0.00 0.00 175.76 175.16 1rje s TYR 124 N -2.67 -0.61 -0.31 0.00 5.04 -0.75 -2.40 117.35 115.65 1rje s TYR 124 Ca 0.60 1.23 -0.01 0.00 -2.44 0.00 0.00 57.07 56.44 1rje s TYR 124 Cb -0.08 0.30 0.12 0.00 0.35 0.00 0.00 41.96 42.66 1rje s TYR 124 CO 0.38 -0.47 0.22 0.08 -1.34 0.00 0.00 175.55 174.42 1rje s VAL 125 N -0.63 -0.17 0.20 3.14 1.01 0.17 -1.88 120.40 122.24 1rje s VAL 125 Ca -0.07 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 1rje s VAL 125 Cb -0.02 -0.97 -0.08 0.00 0.00 0.00 0.00 36.38 35.30 1rje s VAL 125 CO 0.06 -0.68 1.14 -1.81 0.00 0.00 0.00 175.10 173.81 1rje s ASP 126 N 1.93 7.19 -0.04 3.32 1.01 -0.29 -1.49 116.67 128.30 1rje s ASP 126 Ca 0.12 2.18 -0.02 0.00 0.71 0.00 0.00 52.55 55.54 1rje s ASP 126 Cb -0.16 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.19 1rje s ASP 126 CO -0.26 -0.28 0.07 -0.63 0.21 0.00 0.00 175.17 174.29 1rje s ILE 127 N -0.32 -0.12 0.34 0.77 1.01 -0.96 -2.31 121.20 119.61 1rje s ILE 127 Ca 0.50 0.38 -0.06 0.00 0.00 0.00 0.00 60.65 61.47 1rje s ILE 127 Cb -0.31 -0.16 0.01 0.00 0.01 0.00 0.00 42.46 42.01 1rje s ILE 127 CO 0.37 0.16 0.53 -0.62 0.00 0.00 0.00 174.94 175.37 1rje s ASP 128 N 1.98 0.64 0.83 3.58 -1.08 -1.17 -1.55 116.67 119.89 1rje s ASP 128 Ca 0.02 -1.36 -0.14 0.00 -0.52 0.00 0.00 52.55 50.55 1rje s ASP 128 Cb -0.12 0.68 0.01 0.00 -1.46 0.00 0.00 42.92 42.04 1rje s ASP 128 CO -0.03 -1.34 0.60 -1.22 0.52 0.00 0.00 175.17 173.69 1rje n TYR 129 N -0.54 -0.69 -0.31 -5.34 4.02 -1.26 -2.16 117.16 110.88 1rje n TYR 129 Ca -0.01 0.31 0.00 0.00 -0.01 0.00 0.00 57.90 58.19 1rje n TYR 129 Cb 0.61 -1.90 0.13 0.00 -0.02 0.00 0.00 39.34 38.17 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 -0.95 0.86 0.62 7.72 -0.73 -1.92 -2.16 115.58 119.02 1rje h ASN 130 Ca -0.45 0.01 -0.15 0.00 1.87 0.00 0.00 56.30 57.58 1rje h ASN 130 Cb 1.31 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 39.71 1rje h ASN 130 CO 0.40 0.57 -0.70 -0.33 -0.37 0.00 0.00 177.43 177.00 1rje h GLU 131 N 1.01 0.07 -0.17 6.67 3.07 -2.00 -2.79 114.58 120.44 1rje h GLU 131 Ca 0.37 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 59.03 1rje h GLU 131 Cb 0.12 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 1rje h GLU 131 CO -0.16 0.74 -0.43 0.77 -1.40 0.00 0.00 179.01 178.53 1rje h SER 132 N 0.04 0.67 1.46 1.42 0.02 -1.79 -3.05 113.55 112.32 1rje h SER 132 Ca -0.01 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 1rje h SER 132 Cb 1.24 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1rje h SER 132 CO 0.10 1.13 0.00 -0.37 -1.14 0.00 0.00 176.83 176.55 1rje h VAL 133 N 0.24 0.00 -0.02 2.27 -1.51 -1.46 -2.44 116.25 113.33 1rje h VAL 133 Ca -0.01 -0.66 -0.19 0.00 -1.23 0.00 0.00 66.70 64.61 1rje h VAL 133 Cb 1.05 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 31.82 1rje h VAL 133 CO 0.09 0.00 -0.83 -0.33 -1.23 0.00 0.00 177.57 175.28 1rje h GLU 134 N 0.00 0.27 -0.01 5.19 4.39 -1.50 -1.77 114.58 121.15 1rje h GLU 134 Ca 0.00 -0.27 -0.23 0.00 0.34 0.00 0.00 59.36 59.20 1rje h GLU 134 Cb 0.73 0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.46 1rje h GLU 134 CO 0.00 0.96 -0.95 1.25 -1.16 0.00 0.00 179.01 179.11 1rje h LEU 135 N 0.17 0.65 -0.72 1.33 5.85 -1.41 -2.86 115.31 118.31 1rje h LEU 135 Ca -0.04 -0.51 -0.14 0.00 0.84 0.00 0.00 57.88 58.03 1rje h LEU 135 Cb 1.43 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1rje h LEU 135 CO 0.13 1.30 -0.55 0.50 -0.34 0.00 0.00 178.44 179.49 1rje h LYS 136 N 0.29 0.26 -0.11 1.25 3.64 -1.48 -2.36 116.57 118.07 1rje h LYS 136 Ca -0.09 -0.16 -0.13 0.00 -1.27 0.00 0.00 60.65 59.00 1rje h LYS 136 Cb 1.58 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.41 1rje h LYS 136 CO 0.17 0.74 -0.49 -0.97 -2.27 0.00 0.00 179.45 176.63 1rje h ASN 137 N 0.20 0.32 0.60 4.20 -1.24 -1.37 -2.34 115.58 115.95 1rje h ASN 137 Ca 0.00 -0.15 -0.16 0.00 0.71 0.00 0.00 56.30 56.69 1rje h ASN 137 Cb 1.03 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.97 1rje h ASN 137 CO 0.09 0.76 -0.74 0.28 -1.29 0.00 0.00 177.43 176.53 1rje h SER 138 N 0.23 0.13 0.53 1.15 0.02 -1.36 -2.92 113.55 111.34 1rje h SER 138 Ca 0.01 -0.09 -0.29 0.00 -0.84 0.00 0.00 61.79 60.58 1rje h SER 138 Cb 0.95 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.47 1rje h SER 138 CO 0.08 0.82 -1.31 0.40 -1.14 0.00 0.00 176.83 175.68 1rje h ILE 139 N 0.07 1.44 -0.04 3.27 2.04 -1.33 -2.58 117.51 120.39 1rje h ILE 139 Ca -0.02 -2.97 -0.18 0.00 1.00 0.00 0.00 64.86 62.70 1rje h ILE 139 Cb 1.30 2.97 -0.01 0.00 -0.74 0.00 0.00 36.82 40.35 1rje h ILE 139 CO 0.11 0.87 -0.76 -0.07 0.00 0.00 0.00 178.15 178.29 1rje h LEU 140 N 0.09 0.33 0.00 1.44 3.38 -1.51 -2.83 115.31 116.21 1rje h LEU 140 Ca -0.17 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 1rje h LEU 140 Cb 2.03 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.68 1rje h LEU 140 CO 0.22 0.97 -0.44 0.03 0.09 0.00 0.00 178.44 179.31 1rje h ARG 141 N 0.17 0.00 0.02 1.13 3.08 -1.60 -2.50 114.38 114.69 1rje h ARG 141 Ca -0.03 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.83 1rje h ARG 141 Cb 1.34 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.37 1rje h ARG 141 CO 0.12 0.01 -0.99 1.49 -1.07 0.00 0.00 179.97 179.52 1rje h GLU 142 N 0.00 0.04 -7.00 0.04 4.57 -1.49 -3.40 114.58 107.34 1rje h GLU 142 Ca -0.00 -0.07 -0.54 0.00 -1.18 0.00 0.00 59.36 57.56 1rje h GLU 142 Cb 1.01 0.03 0.12 0.00 -0.16 0.00 0.00 28.75 29.74 1rje h GLU 142 CO 0.00 1.03 0.67 0.45 -1.18 0.00 0.00 179.01 179.99 1rje s SER 143 N -6.73 5.81 0.04 1.04 0.15 -1.07 -4.95 113.70 107.99 1rje s SER 143 Ca -0.25 2.85 -0.17 0.00 0.70 0.00 0.00 55.95 59.08 1rje s SER 143 Cb 0.03 -2.65 -0.22 0.00 -1.71 0.00 0.00 66.02 61.48 1rje s SER 143 CO 0.65 -1.21 1.17 -0.08 1.20 0.00 0.00 173.24 174.96 1rje h GLU 144 N 2.19 0.55 -0.02 5.44 4.81 -1.91 -2.91 114.58 122.74 1rje h GLU 144 Ca -0.51 -0.55 -0.25 0.00 -0.13 0.00 0.00 59.36 57.92 1rje h GLU 144 Cb 1.27 0.14 0.02 0.00 0.63 0.00 0.00 28.75 30.81 1rje h GLU 144 CO 0.60 1.17 -0.98 0.97 -0.73 0.00 0.00 179.01 180.04 1rje h ILE 145 N 0.14 1.30 -0.07 2.32 2.10 -1.94 -2.79 117.51 118.57 1rje h ILE 145 Ca -0.08 -2.23 -0.15 0.00 1.08 0.00 0.00 64.86 63.48 1rje h ILE 145 Cb 1.40 2.32 -0.01 0.00 -1.09 0.00 0.00 36.82 39.44 1rje h ILE 145 CO 0.14 0.69 -0.60 -0.07 -1.08 0.00 0.00 178.15 177.23 1rje h LEU 146 N 0.39 0.27 0.12 2.19 3.38 -1.83 -2.64 115.31 117.20 1rje h LEU 146 Ca -0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1rje h LEU 146 Cb 1.63 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.30 1rje h LEU 146 CO 0.19 0.81 -0.06 -0.09 0.09 0.00 0.00 178.44 179.39 1rje h ARG 147 N 0.18 -0.15 0.00 1.13 2.43 -1.23 -3.16 114.38 113.58 1rje h ARG 147 Ca -0.01 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1rje h ARG 147 Cb 1.11 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1rje h ARG 147 CO 0.09 0.21 -0.25 0.82 -1.51 0.00 0.00 179.97 179.34 1rje h ILE 148 N -0.54 0.91 -0.37 1.20 2.04 -1.53 -1.18 117.51 118.05 1rje h ILE 148 Ca -0.02 -0.94 -0.15 0.00 1.00 0.00 0.00 64.86 64.75 1rje h ILE 148 Cb 0.44 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1rje h ILE 148 CO 0.03 0.24 -0.36 0.77 0.00 0.00 0.00 178.15 178.83 1rje h SER 149 N 0.00 0.95 0.42 1.72 4.64 -1.52 -3.11 113.55 116.65 1rje h SER 149 Ca -0.00 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1rje h SER 149 Cb 0.53 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1rje h SER 149 CO 0.03 1.22 -0.31 0.18 -0.87 0.00 0.00 176.83 177.08 1rje n LEU 150 N -4.11 0.64 -1.27 5.97 4.77 -1.08 -4.96 117.00 116.97 1rje n LEU 150 Ca -0.03 -0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 55.81 1rje n LEU 150 Cb 0.53 -0.21 0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1rje n LEU 150 CO 0.48 0.13 -0.06 0.61 -1.33 0.00 0.00 177.39 177.22 1rje n GLY 151 N 1.41 0.06 3.96 -0.72 0.00 -0.53 -4.86 105.19 104.51 1rje n GLY 151 Ca 0.09 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.96 3.07 0.67 0.99 1.43 -0.69 -5.02 118.68 116.17 1rje s LEU 152 Ca 0.07 0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.36 1rje s LEU 152 Cb -0.03 -2.88 0.12 0.00 0.03 0.00 0.00 46.19 43.43 1rje s LEU 152 CO 0.08 -1.39 0.92 -0.55 0.23 0.00 0.00 176.35 175.64 1rje s SER 153 N -4.49 4.63 0.17 2.29 0.15 -1.26 -4.75 113.70 110.45 1rje s SER 153 Ca 0.59 -0.74 0.18 0.00 0.70 0.00 0.00 55.95 56.69 1rje s SER 153 Cb -0.10 0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 64.55 1rje s SER 153 CO 0.41 -1.69 1.08 0.07 1.20 0.00 0.00 173.24 174.31 1rje h LYS 154 N -0.22 0.00 -6.13 5.44 -0.00 -1.99 -3.44 116.57 110.23 1rje h LYS 154 Ca -0.31 0.00 -0.51 0.00 -0.00 0.00 0.00 60.65 59.83 1rje h LYS 154 Cb 1.28 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 33.48 1rje h LYS 154 CO 0.39 0.26 -0.47 -1.21 -0.00 0.00 0.00 179.45 178.42 1rje s GLU 155 N -3.05 3.34 -0.83 0.07 2.02 -1.26 -4.76 118.70 114.24 1rje s GLU 155 Ca -0.00 -0.73 -0.25 0.00 0.02 0.00 0.00 54.97 54.01 1rje s GLU 155 Cb 0.08 -2.87 0.04 0.00 0.10 0.00 0.00 34.13 31.49 1rje s GLU 155 CO 0.78 0.47 1.31 -0.51 0.02 0.00 0.00 175.26 177.33 1rje s ASP 156 N -3.57 6.28 -0.20 -0.19 1.11 -1.26 -4.81 116.67 114.03 1rje s ASP 156 Ca 0.34 -0.84 0.15 0.00 0.18 0.00 0.00 52.55 52.38 1rje s ASP 156 Cb -0.10 -2.55 0.43 0.00 1.07 0.00 0.00 42.92 41.77 1rje s ASP 156 CO 0.28 -1.69 1.31 0.35 1.18 0.00 0.00 175.17 176.60 1rje n THR 157 N 6.48 2.21 -1.81 -1.27 -2.24 -1.26 -5.04 114.28 111.35 1rje n THR 157 Ca 0.12 -2.45 -0.29 0.00 -2.27 0.00 0.00 64.05 59.15 1rje n THR 157 Cb 0.49 -0.26 0.15 0.00 -2.10 0.00 0.00 70.33 68.61 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 -3.02 2.22 0.40 6.98 0.00 -1.26 -5.03 121.76 122.05 1rje s ALA 158 Ca 0.39 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.50 1rje s ALA 158 Cb 0.34 -2.89 -0.03 0.00 0.00 0.00 0.00 23.12 20.54 1rje s ALA 158 CO 0.02 -2.20 0.09 0.15 0.00 0.00 0.00 175.76 173.82 1rje s LYS 159 N -5.65 1.90 1.37 0.00 3.01 -1.25 -5.01 119.74 114.11 1rje s LYS 159 Ca 0.68 -2.15 0.00 0.00 -1.01 0.00 0.00 55.97 53.49 1rje s LYS 159 Cb -0.09 -0.81 0.00 0.00 -1.01 0.00 0.00 37.83 35.92 1rje s LYS 159 CO 0.52 -0.39 0.00 -1.13 0.51 0.00 0.00 175.35 174.86 1rje n SER 160 N -1.15 0.00 0.00 2.83 3.41 -1.26 -1.58 113.62 115.88 1rje n SER 160 Ca -0.07 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.67 1rje n SER 160 Cb 0.66 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 65.10 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 14.00 0.01 -2.73 4.33 -0.04 -1.26 -4.90 135.00 144.41 1rje n PRO 161 Ca 0.00 0.01 -0.40 0.00 -0.04 0.00 0.00 63.50 63.07 1rje n PRO 161 Cb 0.00 -1.51 -0.06 0.00 -0.04 0.00 0.00 33.50 31.89 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 -3.01 3.97 -0.04 0.54 0.40 -0.61 -4.16 117.98 115.07 1rje s PHE 162 Ca 0.13 1.91 0.13 0.00 -0.60 0.00 0.00 56.93 58.49 1rje s PHE 162 Cb 0.18 -3.00 -0.21 0.00 0.51 0.00 0.00 43.02 40.50 1rje s PHE 162 CO 0.59 0.40 0.76 -0.07 0.70 0.00 0.00 175.22 177.60 1rje h LEU 163 N 4.14 0.00 -8.09 -0.37 3.38 -1.66 -3.31 115.31 109.40 1rje h LEU 163 Ca -0.45 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.06 1rje h LEU 163 Cb 1.20 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.65 1rje h LEU 163 CO 0.68 0.94 -0.80 -0.63 0.09 0.00 0.00 178.44 178.72 1rje s ILE 164 N -2.65 0.97 -0.47 1.22 1.01 -1.21 -4.40 121.20 115.67 1rje s ILE 164 Ca -0.04 -0.49 0.06 0.00 0.00 0.00 0.00 60.65 60.19 1rje s ILE 164 Cb 0.08 -0.84 0.20 0.00 0.01 0.00 0.00 42.46 41.92 1rje s ILE 164 CO 0.82 0.29 0.62 -0.67 0.00 0.00 0.00 174.94 176.00 1rje n ASP 165 N 3.06 -2.14 -3.86 3.58 2.03 -1.26 -2.19 116.55 115.77 1rje n ASP 165 Ca -0.16 -2.80 -0.30 0.00 0.52 0.00 0.00 54.79 52.04 1rje n ASP 165 Cb 0.55 0.86 -0.15 0.00 -0.72 0.00 0.00 41.12 41.65 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 0.39 1.06 5.28 -0.67 2.00 -1.07 -5.03 119.66 121.62 1rje s GLN 166 Ca 0.32 -1.37 0.00 0.00 -2.00 0.00 0.00 55.36 52.31 1rje s GLN 166 Cb 0.07 -2.49 0.00 0.00 0.80 0.00 0.00 33.01 31.38 1rje s GLN 166 CO -0.13 -0.94 0.00 0.41 -0.50 0.00 0.00 175.29 174.13 1rje n GLY 167 N 4.61 1.56 0.56 2.59 0.00 -1.26 -3.06 105.19 110.18 1rje n GLY 167 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 1.75 -4.34 1.61 1.74 -1.26 -4.98 116.66 111.18 1rje n ARG 168 Ca 0.00 -2.93 -0.19 0.00 -0.77 0.00 0.00 57.85 53.96 1rje n ARG 168 Cb 0.00 -1.65 -0.15 0.00 -1.02 0.00 0.00 32.46 29.64 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 -3.04 0.82 -0.00 -1.55 5.04 -1.17 -1.82 117.35 115.63 1rje s TYR 169 Ca 0.38 -0.18 0.01 0.00 -2.44 0.00 0.00 57.07 54.84 1rje s TYR 169 Cb 0.34 -0.57 -0.00 0.00 0.35 0.00 0.00 41.96 42.08 1rje s TYR 169 CO 0.01 -0.06 -0.05 0.15 -1.34 0.00 0.00 175.55 174.26 1rje s LYS 170 N 0.04 0.40 -0.02 4.97 1.02 -0.79 -2.61 119.74 122.74 1rje s LYS 170 Ca -0.00 -0.17 0.07 0.00 0.02 0.00 0.00 55.97 55.89 1rje s LYS 170 Cb -0.06 -0.39 -0.02 0.00 -0.52 0.00 0.00 37.83 36.84 1rje s LYS 170 CO -0.00 0.10 -0.25 -1.17 -0.92 0.00 0.00 175.35 173.11 1rje s LEU 171 N -0.08 2.05 -0.04 3.17 2.96 -0.93 -1.14 118.68 124.67 1rje s LEU 171 Ca 0.01 -0.45 -0.24 0.00 -0.22 0.00 0.00 54.13 53.24 1rje s LEU 171 Cb -0.02 -1.27 0.05 0.00 0.50 0.00 0.00 46.19 45.44 1rje s LEU 171 CO -0.00 0.30 0.52 0.00 -1.32 0.00 0.00 176.35 175.84 1rje s ALA 172 N -0.53 -1.35 -0.16 5.97 0.00 -0.98 -1.94 121.76 122.78 1rje s ALA 172 Ca 0.08 0.91 -0.12 0.00 0.00 0.00 0.00 51.96 52.83 1rje s ALA 172 Cb -0.10 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 1rje s ALA 172 CO -0.00 -0.32 0.23 0.00 0.00 0.00 0.00 175.76 175.67 1rje s ALA 173 N -1.21 3.66 -0.29 0.00 0.00 -1.26 -3.07 121.76 119.59 1rje s ALA 173 Ca -0.12 -0.53 -0.15 0.00 0.00 0.00 0.00 51.96 51.15 1rje s ALA 173 Cb -0.02 -2.28 0.13 0.00 0.00 0.00 0.00 23.12 20.95 1rje s ALA 173 CO 0.07 0.19 0.89 0.00 0.00 0.00 0.00 175.76 176.92 1rje s ASP 175 N 1.70 6.95 0.17 0.00 -1.08 -1.26 -4.25 116.67 118.90 1rje s ASP 175 Ca -0.08 1.19 0.26 0.00 -0.52 0.00 0.00 52.55 53.41 1rje s ASP 175 Cb -0.05 -2.54 0.90 0.00 -1.46 0.00 0.00 42.92 39.77 1rje s ASP 175 CO -0.17 -0.84 1.80 0.18 0.52 0.00 0.00 175.17 176.66 1rje n LEU 176 N 6.78 0.64 0.17 -1.34 4.77 -1.26 -2.59 117.00 124.16 1rje n LEU 176 Ca 0.12 0.57 0.01 0.00 -0.03 0.00 0.00 56.01 56.68 1rje n LEU 176 Cb 0.47 -0.37 0.30 0.00 -2.33 0.00 0.00 43.42 41.49 1rje n LEU 176 CO 0.57 -0.17 0.66 0.78 -1.33 0.00 0.00 177.39 177.90 1rje h ASN 177 N 0.00 0.01 -3.18 -1.43 -0.26 -1.91 -3.38 115.58 105.43 1rje h ASN 177 Ca 0.00 -0.00 -0.61 0.00 -0.56 0.00 0.00 56.30 55.12 1rje h ASN 177 Cb 0.66 -0.00 -0.13 0.00 -1.06 0.00 0.00 38.32 37.79 1rje h ASN 177 CO 0.00 0.45 0.54 -0.62 -1.06 0.00 0.00 177.43 176.73 1rje s ASP 178 N -6.91 6.32 0.29 5.81 -1.08 -1.07 -4.92 116.67 115.12 1rje s ASP 178 Ca -0.02 -0.41 0.15 0.00 -0.52 0.00 0.00 52.55 51.75 1rje s ASP 178 Cb 0.14 -2.43 0.26 0.00 -1.46 0.00 0.00 42.92 39.43 1rje s ASP 178 CO 0.74 -1.22 1.53 -0.29 0.52 0.00 0.00 175.17 176.45 1rje h ILE 179 N 6.01 1.00 -0.52 4.11 6.09 -1.83 -2.65 117.51 129.72 1rje h ILE 179 Ca -0.26 -2.13 -0.12 0.00 -1.37 0.00 0.00 64.86 60.98 1rje h ILE 179 Cb 1.07 2.30 -0.02 0.00 0.47 0.00 0.00 36.82 40.64 1rje h ILE 179 CO 1.09 0.52 -0.14 0.74 -3.07 0.00 0.00 178.15 177.29 1rje h THR 180 N 0.00 1.27 0.00 2.19 2.02 -1.94 -2.64 112.91 113.81 1rje h THR 180 Ca -0.01 -1.30 -0.09 0.00 0.77 0.00 0.00 66.41 65.79 1rje h THR 180 Cb 1.25 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1rje h THR 180 CO 0.07 0.45 -0.40 -0.08 0.37 0.00 0.00 175.52 175.93 1rje h GLU 181 N 0.88 0.00 -0.10 6.66 4.81 -1.87 -2.98 114.58 121.98 1rje h GLU 181 Ca 0.13 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.14 1rje h GLU 181 Cb 0.71 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.10 1rje h GLU 181 CO 0.05 0.40 -0.83 1.15 -0.73 0.00 0.00 179.01 179.06 1rje h THR 182 N 0.00 1.31 0.00 0.32 2.02 -1.31 -3.06 112.91 112.18 1rje h THR 182 Ca -0.00 -2.09 -0.15 0.00 0.77 0.00 0.00 66.41 64.94 1rje h THR 182 Cb 0.90 2.10 -0.02 0.00 -1.74 0.00 0.00 68.15 69.39 1rje h THR 182 CO 0.05 0.65 -0.70 0.71 0.37 0.00 0.00 175.52 176.60 1rje h THR 183 N 0.44 1.45 -0.58 3.16 1.35 -1.50 -2.74 112.91 114.50 1rje h THR 183 Ca -0.06 -2.46 -0.06 0.00 -0.55 0.00 0.00 66.41 63.27 1rje h THR 183 Cb 1.45 2.35 -0.02 0.00 -1.73 0.00 0.00 68.15 70.20 1rje h THR 183 CO 0.16 0.69 0.13 0.03 -0.25 0.00 0.00 175.52 176.28 1rje h ARG 184 N 0.00 0.94 -0.27 4.72 3.08 -1.55 -2.51 114.38 118.79 1rje h ARG 184 Ca -0.01 -0.23 -0.15 0.00 0.07 0.00 0.00 59.98 59.66 1rje h ARG 184 Cb 1.29 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 1rje h ARG 184 CO 0.09 0.88 -0.43 1.25 -1.07 0.00 0.00 179.97 180.68 1rje h LEU 185 N 0.85 0.73 -0.57 3.04 5.85 -1.52 -3.14 115.31 120.55 1rje h LEU 185 Ca 0.18 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1rje h LEU 185 Cb 0.37 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1rje h LEU 185 CO 0.00 1.06 0.00 -0.07 -0.34 0.00 0.00 178.44 179.10 1rje h LEU 186 N 0.55 0.00 -0.65 2.25 3.38 -1.39 -2.90 115.31 116.55 1rje h LEU 186 Ca 0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1rje h LEU 186 Cb 0.97 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1rje h LEU 186 CO 0.09 0.00 -0.66 0.44 0.09 0.00 0.00 178.44 178.40 1rje h ASP 187 N 0.00 0.08 0.00 -0.43 3.32 -1.39 -2.85 116.42 115.15 1rje h ASP 187 Ca 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1rje h ASP 187 Cb 0.57 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1rje h ASP 187 CO 0.00 0.72 -0.99 1.33 -1.72 0.00 0.00 179.24 178.58 1rje n VAL 188 N -3.78 0.00 0.08 -1.35 0.24 -1.11 -4.48 118.33 107.93 1rje n VAL 188 Ca -0.02 -0.02 0.01 0.00 -2.04 0.00 0.00 64.34 62.27 1rje n VAL 188 Cb 0.65 0.98 -0.01 0.00 -1.47 0.00 0.00 33.84 33.99 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 -1.17 0.16 0.19 0.00 -4.23 -1.08 -5.01 115.64 104.49 1rje s THR 190 Ca 0.01 -1.29 0.07 0.00 -1.18 0.00 0.00 61.69 59.30 1rje s THR 190 Cb 0.01 -0.79 -0.04 0.00 1.34 0.00 0.00 72.50 73.02 1rje s THR 190 CO 0.07 -0.71 0.05 -0.54 -0.54 0.00 0.00 174.62 172.95 1rje s LYS 191 N -2.49 2.55 0.11 3.99 1.02 -1.26 -4.59 119.74 119.06 1rje s LYS 191 Ca -0.06 -1.08 -0.14 0.00 0.02 0.00 0.00 55.97 54.71 1rje s LYS 191 Cb -0.02 -2.42 -0.06 0.00 -0.52 0.00 0.00 37.83 34.81 1rje s LYS 191 CO -0.05 0.45 1.47 -0.09 -0.92 0.00 0.00 175.35 176.21 1rje h ARG 192 N 2.47 0.73 0.00 1.68 2.43 -1.95 -3.31 114.38 116.43 1rje h ARG 192 Ca -0.47 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.36 1rje h ARG 192 Cb 1.21 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1rje h ARG 192 CO 0.60 0.95 0.00 1.05 -1.51 0.00 0.00 179.97 181.05 1rje h GLU 193 N 0.51 0.00 -6.44 0.20 9.09 -1.97 -3.02 114.58 112.95 1rje h GLU 193 Ca 0.07 0.00 -0.54 0.00 0.05 0.00 0.00 59.36 58.94 1rje h GLU 193 Cb 0.75 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.84 1rje h GLU 193 CO 0.06 0.00 0.53 0.42 0.05 0.00 0.00 179.01 180.06 1rje s ILE 194 N -3.28 4.28 0.39 -1.06 1.01 -1.25 -4.79 121.20 116.50 1rje s ILE 194 Ca 0.06 1.63 -0.25 0.00 0.00 0.00 0.00 60.65 62.10 1rje s ILE 194 Cb 0.06 -4.05 -0.12 0.00 0.01 0.00 0.00 42.46 38.37 1rje s ILE 194 CO 0.64 0.11 0.90 -2.65 0.00 0.00 0.00 174.94 173.94 1rje n PRO 195 N 4.09 1.15 -4.09 2.79 -0.02 -1.26 -4.73 135.00 132.94 1rje n PRO 195 Ca 0.08 0.41 -0.19 0.00 -2.02 0.00 0.00 63.50 61.79 1rje n PRO 195 Cb 0.48 -1.87 -0.16 0.00 -0.02 0.00 0.00 33.50 31.93 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 -1.27 0.40 -0.42 3.45 2.01 -0.74 -1.12 115.64 117.95 1rje s THR 196 Ca 0.62 -0.05 -0.08 0.00 0.31 0.00 0.00 61.69 62.49 1rje s THR 196 Cb -0.60 -0.44 0.09 0.00 0.01 0.00 0.00 72.50 71.55 1rje s THR 196 CO 0.58 0.19 0.25 -0.63 -0.69 0.00 0.00 174.62 174.32 1rje s ILE 197 N 0.89 4.06 -0.08 1.82 1.01 -0.78 -1.00 121.20 127.11 1rje s ILE 197 Ca -0.11 -1.53 -0.22 0.00 0.00 0.00 0.00 60.65 58.80 1rje s ILE 197 Cb -0.14 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 1rje s ILE 197 CO -0.00 -0.55 0.63 -0.69 0.00 0.00 0.00 174.94 174.33 1rje s VAL 198 N 1.38 5.09 -0.16 2.92 1.01 -0.75 -2.23 120.40 127.66 1rje s VAL 198 Ca 0.04 1.29 0.01 0.00 0.00 0.00 0.00 61.98 63.32 1rje s VAL 198 Cb -0.23 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.19 1rje s VAL 198 CO 0.01 0.28 -0.19 -0.63 0.00 0.00 0.00 175.10 174.56 1rje s ILE 199 N 0.74 1.93 -0.65 2.22 1.01 -1.09 -1.32 121.20 124.04 1rje s ILE 199 Ca 0.34 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 60.17 1rje s ILE 199 Cb -0.17 -1.74 0.23 0.00 0.01 0.00 0.00 42.46 40.79 1rje s ILE 199 CO 0.16 0.52 0.68 -1.54 0.00 0.00 0.00 174.94 174.75 1rje n SER 200 N 4.46 3.43 -4.58 3.58 3.41 -1.14 -0.79 113.62 122.00 1rje n SER 200 Ca -0.20 -3.36 -0.42 0.00 -0.26 0.00 0.00 58.87 54.63 1rje n SER 200 Cb 0.51 -0.69 -0.02 0.00 -0.26 0.00 0.00 64.21 63.74 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 -2.18 3.53 -1.58 4.33 2.12 -1.26 -2.94 118.70 120.73 1rje s GLU 201 Ca 0.36 0.30 -0.00 0.00 0.36 0.00 0.00 54.97 55.98 1rje s GLU 201 Cb 0.10 -4.01 0.00 0.00 0.26 0.00 0.00 34.13 30.49 1rje s GLU 201 CO -0.05 -1.66 0.06 0.00 -0.54 0.00 0.00 175.26 173.07 1rje n LEU 203 N -2.80 1.86 0.16 0.00 7.94 -1.25 -4.59 117.00 118.32 1rje n LEU 203 Ca -0.21 0.32 0.13 0.00 -1.11 0.00 0.00 56.01 55.14 1rje n LEU 203 Cb 0.66 -0.77 0.52 0.00 0.53 0.00 0.00 43.42 44.36 1rje n LEU 203 CO 0.28 0.42 0.88 -0.07 -1.11 0.00 0.00 177.39 177.79 1rje h LEU 204 N -0.95 0.00 -0.82 -1.96 3.38 -1.88 -2.75 115.31 110.33 1rje h LEU 204 Ca -0.57 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.30 1rje h LEU 204 Cb 1.49 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 1rje h LEU 204 CO -0.35 0.00 -0.20 0.00 0.09 0.00 0.00 178.44 177.99 1rje n TYR 206 N -4.13 0.00 -3.92 0.00 0.53 -1.04 -3.56 117.16 105.04 1rje n TYR 206 Ca 0.00 0.00 -0.25 0.00 -1.02 0.00 0.00 57.90 56.64 1rje n TYR 206 Cb 0.40 -0.25 -0.03 0.00 -1.03 0.00 0.00 39.34 38.44 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 -2.62 3.45 0.89 -0.72 -1.94 -1.16 -4.79 119.30 112.41 1rje s MET 207 Ca 0.25 -0.62 -0.14 0.00 -1.71 0.00 0.00 55.69 53.47 1rje s MET 207 Cb 0.20 -2.93 0.14 0.00 2.01 0.00 0.00 34.83 34.25 1rje s MET 207 CO 0.51 0.48 1.24 -1.01 -0.01 0.00 0.00 175.02 176.22 1rje s HIS 208 N -1.83 2.30 0.25 -0.03 3.76 -1.26 -4.32 115.29 114.16 1rje s HIS 208 Ca 0.35 0.57 0.05 0.00 -0.15 0.00 0.00 55.06 55.88 1rje s HIS 208 Cb -0.10 -3.75 0.29 0.00 1.11 0.00 0.00 32.58 30.12 1rje s HIS 208 CO 0.29 -2.23 1.58 -0.97 -0.85 0.00 0.00 174.74 172.56 1rje h ASN 209 N -1.36 0.24 0.02 1.40 -0.00 -1.94 -2.26 115.58 111.67 1rje h ASN 209 Ca -0.46 -0.13 -0.26 0.00 -0.00 0.00 0.00 56.30 55.46 1rje h ASN 209 Cb 1.29 -0.07 0.02 0.00 -0.00 0.00 0.00 38.32 39.56 1rje h ASN 209 CO 0.53 0.77 -1.01 -1.13 -0.00 0.00 0.00 177.43 176.59 1rje h ASN 210 N 0.16 0.86 0.92 1.15 -1.24 -1.99 -2.66 115.58 112.78 1rje h ASN 210 Ca -0.00 -0.75 -0.15 0.00 0.71 0.00 0.00 56.30 56.10 1rje h ASN 210 Cb 1.07 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.84 1rje h ASN 210 CO 0.09 1.51 -0.71 -0.33 -1.29 0.00 0.00 177.43 176.70 1rje h GLU 211 N 0.31 0.00 0.15 6.67 3.07 -1.91 -2.68 114.58 120.19 1rje h GLU 211 Ca -0.13 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.44 1rje h GLU 211 Cb 1.67 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.59 1rje h GLU 211 CO 0.20 0.71 -1.32 0.66 -1.40 0.00 0.00 179.01 177.86 1rje h SER 212 N 0.00 0.50 1.28 1.42 4.64 -1.50 -2.84 113.55 117.05 1rje h SER 212 Ca -0.01 -0.54 -0.06 0.00 -0.47 0.00 0.00 61.79 60.71 1rje h SER 212 Cb 1.36 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1rje h SER 212 CO 0.09 1.43 -0.29 -0.61 -0.87 0.00 0.00 176.83 176.58 1rje h GLN 213 N 0.09 0.00 0.00 4.77 5.75 -1.54 -2.40 115.11 121.78 1rje h GLN 213 Ca -0.17 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.20 1rje h GLN 213 Cb 2.01 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 30.54 1rje h GLN 213 CO 0.21 0.29 -0.63 1.25 -2.65 0.00 0.00 178.83 177.30 1rje h LEU 214 N 0.00 0.00 -0.23 -2.39 5.85 -1.52 -2.43 115.31 114.60 1rje h LEU 214 Ca -0.00 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.53 1rje h LEU 214 Cb 1.01 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1rje h LEU 214 CO 0.04 0.63 -0.90 0.25 -0.34 0.00 0.00 178.44 178.13 1rje h LEU 215 N 0.00 0.05 0.21 2.25 5.85 -1.30 -2.85 115.31 119.52 1rje h LEU 215 Ca -0.01 -0.05 -0.28 0.00 0.84 0.00 0.00 57.88 58.39 1rje h LEU 215 Cb 1.34 -0.02 0.03 0.00 0.37 0.00 0.00 40.66 42.39 1rje h LEU 215 CO 0.08 0.92 -1.22 0.40 -0.34 0.00 0.00 178.44 178.28 1rje h ILE 216 N 0.02 1.36 -0.05 4.05 2.04 -1.44 -3.03 117.51 120.46 1rje h ILE 216 Ca -0.02 -2.62 -0.16 0.00 1.00 0.00 0.00 64.86 63.05 1rje h ILE 216 Cb 1.57 3.10 -0.01 0.00 -0.74 0.00 0.00 36.82 40.74 1rje h ILE 216 CO 0.12 0.77 -0.70 0.78 0.00 0.00 0.00 178.15 179.12 1rje h ASN 217 N -0.08 0.27 0.04 1.72 2.35 -1.55 -2.84 115.58 115.49 1rje h ASN 217 Ca -0.22 -0.18 -0.12 0.00 -0.55 0.00 0.00 56.30 55.23 1rje h ASN 217 Cb 1.95 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 40.25 1rje h ASN 217 CO 0.22 0.89 -0.50 0.74 -1.65 0.00 0.00 177.43 177.13 1rje h THR 218 N 0.16 1.53 -0.24 2.81 2.02 -1.63 -3.06 112.91 114.49 1rje h THR 218 Ca -0.02 -2.20 -0.20 0.00 0.77 0.00 0.00 66.41 64.76 1rje h THR 218 Cb 1.25 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 70.56 1rje h THR 218 CO 0.11 0.62 -0.63 0.40 0.37 0.00 0.00 175.52 176.38 1rje h ILE 219 N -0.39 1.28 -0.17 3.11 2.04 -1.64 -1.57 117.51 120.18 1rje h ILE 219 Ca -0.07 -1.82 -0.00 0.00 1.00 0.00 0.00 64.86 63.96 1rje h ILE 219 Cb 1.29 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 39.12 1rje h ILE 219 CO 0.10 0.59 0.09 0.24 0.00 0.00 0.00 178.15 179.17 1rje h MET 220 N 0.61 0.23 0.00 2.37 2.86 -1.65 -2.81 114.93 116.55 1rje h MET 220 Ca -0.01 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 1rje h MET 220 Cb 1.24 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.85 1rje h MET 220 CO 0.13 0.22 -0.19 0.77 1.06 0.00 0.00 176.91 178.91 1rje h SER 221 N 0.18 0.00 0.61 1.22 0.02 -1.53 -3.12 113.55 110.93 1rje h SER 221 Ca 0.06 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.89 1rje h SER 221 Cb 0.06 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1rje h SER 221 CO -0.01 0.19 -0.59 0.50 -1.14 0.00 0.00 176.83 175.78 1rje h LYS 222 N 0.00 0.00 -6.40 3.45 3.64 -1.01 -3.44 116.57 112.80 1rje h LYS 222 Ca -0.00 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.76 1rje h LYS 222 Cb 0.54 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.23 1rje h LYS 222 CO 0.02 0.59 -0.70 -0.06 -2.27 0.00 0.00 179.45 177.04 1rje s PHE 223 N -3.66 2.74 -0.14 1.91 0.08 -1.18 -4.68 117.98 113.05 1rje s PHE 223 Ca -0.01 -0.18 -0.13 0.00 0.12 0.00 0.00 56.93 56.73 1rje s PHE 223 Cb 0.13 -1.34 -0.11 0.00 -0.57 0.00 0.00 43.02 41.13 1rje s PHE 223 CO 0.76 0.51 0.20 0.77 -0.10 0.00 0.00 175.22 177.35 1rje h SER 224 N 2.88 0.00 -3.30 1.36 0.02 -1.79 -3.46 113.55 109.26 1rje h SER 224 Ca -0.47 -0.35 -0.63 0.00 -0.84 0.00 0.00 61.79 59.50 1rje h SER 224 Cb 1.20 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.55 1rje h SER 224 CO 0.56 0.85 -0.63 -2.28 -1.14 0.00 0.00 176.83 174.19 1rje s HIS 225 N -2.01 3.11 0.35 3.45 5.65 -1.26 -2.69 115.29 121.88 1rje s HIS 225 Ca -0.13 -0.15 -0.11 0.00 0.25 0.00 0.00 55.06 54.91 1rje s HIS 225 Cb 0.01 -2.00 0.05 0.00 -1.18 0.00 0.00 32.58 29.46 1rje s HIS 225 CO 0.33 0.05 0.66 0.41 -0.65 0.00 0.00 174.74 175.54 1rje n GLY 226 N 3.49 1.26 3.37 1.59 0.00 -1.12 -1.79 105.19 111.99 1rje n GLY 226 Ca -0.17 -1.28 0.02 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.19 -0.48 0.99 2.96 -0.17 -3.08 118.68 117.71 1rje s LEU 227 Ca 0.16 1.13 -0.13 0.00 -0.22 0.00 0.00 54.13 55.07 1rje s LEU 227 Cb -0.04 2.15 0.10 0.00 0.50 0.00 0.00 46.19 48.90 1rje s LEU 227 CO 0.12 -0.22 0.39 0.86 -1.32 0.00 0.00 176.35 176.17 1rje s TRP 228 N 2.86 3.30 -0.74 5.38 -0.11 -0.90 -1.81 118.94 126.91 1rje s TRP 228 Ca 0.07 -1.32 -0.19 0.00 1.22 0.00 0.00 56.10 55.88 1rje s TRP 228 Cb -0.13 -3.35 0.11 0.00 -1.50 0.00 0.00 33.47 28.61 1rje s TRP 228 CO -0.19 -0.90 0.91 0.42 -4.62 0.00 0.00 176.95 172.56 1rje s ILE 229 N 1.53 4.74 -0.24 5.86 1.01 -0.43 -2.62 121.20 131.05 1rje s ILE 229 Ca 0.04 -1.15 -0.07 0.00 0.00 0.00 0.00 60.65 59.47 1rje s ILE 229 Cb -0.26 -4.63 -0.03 0.00 0.01 0.00 0.00 42.46 37.56 1rje s ILE 229 CO 0.03 -1.32 0.05 -0.55 0.00 0.00 0.00 174.94 173.15 1rje s SER 230 N 3.51 5.01 -0.11 3.58 0.15 -0.98 -2.87 113.70 121.99 1rje s SER 230 Ca 0.21 -0.22 -0.03 0.00 0.70 0.00 0.00 55.95 56.61 1rje s SER 230 Cb -0.15 -1.89 -0.03 0.00 -1.71 0.00 0.00 66.02 62.24 1rje s SER 230 CO 0.01 -0.02 0.01 -0.47 1.20 0.00 0.00 173.24 173.98 1rje s TYR 231 N 1.49 3.18 0.13 3.44 5.04 -1.15 -1.97 117.35 127.51 1rje s TYR 231 Ca 0.06 0.13 -0.25 0.00 -2.44 0.00 0.00 57.07 54.56 1rje s TYR 231 Cb -0.15 -1.86 0.07 0.00 0.35 0.00 0.00 41.96 40.37 1rje s TYR 231 CO 0.02 0.37 0.88 -0.51 -1.34 0.00 0.00 175.55 174.98 1rje s ASP 232 N -0.54 -0.27 0.37 4.32 1.01 -1.23 -2.02 116.67 118.31 1rje s ASP 232 Ca 0.09 -0.29 -0.04 0.00 0.71 0.00 0.00 52.55 53.02 1rje s ASP 232 Cb -0.12 0.50 -0.05 0.00 1.01 0.00 0.00 42.92 44.26 1rje s ASP 232 CO 0.02 -0.89 0.64 -2.16 0.21 0.00 0.00 175.17 172.99 1rje s PRO 233 N -3.35 3.60 0.09 8.23 0.04 -1.26 -1.86 135.00 140.48 1rje s PRO 233 Ca 0.09 0.04 0.06 0.00 0.04 0.00 0.00 61.00 61.24 1rje s PRO 233 Cb -0.02 -2.55 -0.03 0.00 0.04 0.00 0.00 34.50 31.94 1rje s PRO 233 CO -0.01 0.06 -0.17 0.96 0.04 0.00 0.00 177.00 177.88 1rje s ILE 234 N -2.34 1.38 -0.83 0.56 -4.36 -0.96 -4.91 121.20 109.74 1rje s ILE 234 Ca 0.45 -1.42 0.23 0.00 -0.26 0.00 0.00 60.65 59.65 1rje s ILE 234 Cb -0.10 -1.30 0.22 0.00 1.25 0.00 0.00 42.46 42.53 1rje s ILE 234 CO 0.35 -0.16 1.72 0.61 0.24 0.00 0.00 174.94 177.70 1rje n GLY 235 N 1.17 -1.36 0.00 6.27 0.00 -1.05 -4.68 105.19 105.53 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 0.73 1.16 0.21 -0.02 0.00 -0.77 -1.66 105.19 104.84 1rje n GLY 236 Ca 0.05 -1.11 -0.06 0.00 0.00 0.00 0.00 46.02 44.89 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 0.48 -3.91 1.61 4.64 -1.62 -3.45 113.55 111.30 1rje h SER 237 Ca 0.00 -0.23 -0.50 0.00 -0.47 0.00 0.00 61.79 60.59 1rje h SER 237 Cb 0.00 -0.14 0.04 0.00 -0.31 0.00 0.00 62.40 61.99 1rje h SER 237 CO 0.00 0.88 0.49 -1.10 -0.87 0.00 0.00 176.83 176.23 1rje s GLN 238 N -4.08 4.23 0.51 4.77 -1.52 -1.26 -4.98 119.66 117.33 1rje s GLN 238 Ca -0.06 1.79 -0.19 0.00 -1.95 0.00 0.00 55.36 54.94 1rje s GLN 238 Cb 0.12 -2.79 -0.07 0.00 -0.22 0.00 0.00 33.01 30.05 1rje s GLN 238 CO 0.81 -0.15 1.05 -1.25 -0.25 0.00 0.00 175.29 175.50 1rje s PRO 239 N -2.11 3.65 0.00 2.91 0.04 -1.26 -3.19 135.00 135.04 1rje s PRO 239 Ca 0.54 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1rje s PRO 239 Cb -0.30 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1rje s PRO 239 CO 0.38 -0.55 0.00 0.09 0.04 0.00 0.00 177.00 176.95 1rje n ASN 240 N -1.23 0.00 -4.61 6.66 4.13 -1.26 -5.02 115.26 113.93 1rje n ASN 240 Ca 0.09 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.93 1rje n ASN 240 Cb 0.52 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.74 1rje n ASN 240 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1rje s ASP 241 N -0.71 6.75 -0.27 6.41 2.15 -1.19 -4.92 116.67 124.90 1rje s ASP 241 Ca 0.00 0.71 0.12 0.00 0.43 0.00 0.00 52.55 53.81 1rje s ASP 241 Cb 0.00 -2.51 0.63 0.00 -0.30 0.00 0.00 42.92 40.74 1rje s ASP 241 CO 0.00 -0.95 1.61 0.54 -0.17 0.00 0.00 175.17 176.20 1rje n ARG 242 N 7.04 3.10 -0.14 4.34 1.74 -1.26 -4.62 116.66 126.85 1rje n ARG 242 Ca 0.10 -3.03 0.01 0.00 -0.77 0.00 0.00 57.85 54.16 1rje n ARG 242 Cb 0.48 -2.01 0.30 0.00 -1.02 0.00 0.00 32.46 30.20 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 2.06 0.81 0.05 -1.55 3.57 -1.92 -0.49 116.94 119.48 1rje h PHE 243 Ca 0.16 0.01 -0.24 0.00 3.53 0.00 0.00 57.97 61.43 1rje h PHE 243 Cb 1.89 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 40.34 1rje h PHE 243 CO 0.96 0.52 -1.14 0.78 -2.23 0.00 0.00 178.31 177.20 1rje h GLY 244 N 0.87 0.12 2.00 2.40 0.00 -1.57 -2.72 103.07 104.18 1rje h GLY 244 Ca 0.23 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 1rje h GLY 244 CO -0.05 0.28 -0.19 0.00 0.00 0.00 0.00 176.54 176.58 1rje h ALA 245 N 0.83 0.93 0.01 3.60 0.00 -1.74 -2.76 119.26 120.13 1rje h ALA 245 Ca -0.08 -0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.38 1rje h ALA 245 Cb 1.86 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.58 1rje h ALA 245 CO 0.16 0.23 -1.60 0.82 0.00 0.00 0.00 179.25 178.86 1rje h ILE 246 N 0.00 0.98 0.04 0.00 2.04 -1.14 -3.09 117.51 116.35 1rje h ILE 246 Ca -0.00 -2.80 -0.23 0.00 1.00 0.00 0.00 64.86 62.82 1rje h ILE 246 Cb 0.94 2.50 -0.00 0.00 -0.74 0.00 0.00 36.82 39.52 1rje h ILE 246 CO 0.02 0.58 -1.02 -0.03 0.00 0.00 0.00 178.15 177.70 1rje h MET 247 N 0.00 0.26 -0.03 2.37 4.05 -1.51 -1.96 114.93 118.12 1rje h MET 247 Ca -0.25 -0.34 -0.20 0.00 -0.28 0.00 0.00 59.70 58.63 1rje h MET 247 Cb 1.98 0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 32.88 1rje h MET 247 CO 0.09 1.08 -0.85 1.96 0.23 0.00 0.00 176.91 179.43 1rje h GLN 248 N 0.12 0.36 -0.02 0.39 4.20 -1.64 -2.54 115.11 115.98 1rje h GLN 248 Ca -0.08 -0.35 -0.18 0.00 0.06 0.00 0.00 58.65 58.10 1rje h GLN 248 Cb 1.70 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.55 1rje h GLN 248 CO 0.16 1.02 -0.80 1.03 -0.67 0.00 0.00 178.83 179.58 1rje h SER 249 N 0.22 0.24 0.23 1.46 0.87 -1.59 -3.13 113.55 111.85 1rje h SER 249 Ca -0.05 -0.18 -0.33 0.00 -1.23 0.00 0.00 61.79 60.00 1rje h SER 249 Cb 1.45 -0.07 0.03 0.00 -0.44 0.00 0.00 62.40 63.37 1rje h SER 249 CO 0.14 0.94 -1.48 -1.13 -0.53 0.00 0.00 176.83 174.77 1rje h ASN 250 N 0.12 0.77 -0.39 6.23 -1.24 -1.39 -2.97 115.58 116.70 1rje h ASN 250 Ca -0.03 -0.93 -0.10 0.00 0.71 0.00 0.00 56.30 55.96 1rje h ASN 250 Cb 1.39 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 40.17 1rje h ASN 250 CO 0.12 1.70 -0.10 -0.07 -1.29 0.00 0.00 177.43 177.79 1rje h LEU 251 N 0.08 0.83 -0.71 0.34 3.38 -1.58 -2.76 115.31 114.89 1rje h LEU 251 Ca -0.27 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.33 1rje h LEU 251 Cb 2.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 1rje h LEU 251 CO 0.24 0.96 -0.31 0.50 0.09 0.00 0.00 178.44 179.91 1rje h LYS 252 N 0.76 0.65 0.47 1.13 1.63 -1.48 -1.01 116.57 118.72 1rje h LYS 252 Ca 0.13 -0.29 -0.02 0.00 -0.85 0.00 0.00 60.65 59.61 1rje h LYS 252 Cb 0.60 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 1rje h LYS 252 CO 0.04 0.88 -0.23 0.93 -3.45 0.00 0.00 179.45 177.62 1rje h GLU 253 N 0.55 -0.61 0.13 1.90 5.08 -1.37 -3.01 114.58 117.25 1rje h GLU 253 Ca 0.06 0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.28 1rje h GLU 253 Cb 0.81 0.14 0.02 0.00 0.50 0.00 0.00 28.75 30.22 1rje h GLU 253 CO 0.07 -0.38 -0.80 0.66 -1.00 0.00 0.00 179.01 177.55 1rje h SER 254 N -1.15 0.48 0.00 1.42 4.64 -1.63 -3.40 113.55 113.91 1rje h SER 254 Ca -0.06 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.32 1rje h SER 254 Cb 0.51 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1rje h SER 254 CO 0.11 1.38 -0.62 0.54 -0.87 0.00 0.00 176.83 177.37 1rje n ARG 255 N -4.13 3.18 -3.50 4.77 5.12 -0.97 -5.02 116.66 116.11 1rje n ARG 255 Ca -0.14 -0.01 -0.19 0.00 -1.93 0.00 0.00 57.85 55.58 1rje n ARG 255 Cb 0.81 -1.02 0.07 0.00 -1.16 0.00 0.00 32.46 31.16 1rje n ARG 255 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1rje n ASN 256 N -1.32 -2.72 -4.32 0.55 4.05 -0.44 -4.98 115.26 106.08 1rje n ASN 256 Ca 0.01 -0.72 -0.24 0.00 0.45 0.00 0.00 54.58 54.08 1rje n ASN 256 Cb 0.17 -4.69 -0.12 0.00 1.23 0.00 0.00 39.78 36.37 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 -6.30 2.35 -0.00 1.20 2.96 -0.83 -4.94 118.68 113.11 1rje s LEU 257 Ca 0.11 -0.75 0.05 0.00 -0.22 0.00 0.00 54.13 53.31 1rje s LEU 257 Cb -0.02 -0.93 -0.01 0.00 0.50 0.00 0.00 46.19 45.73 1rje s LEU 257 CO 0.77 0.05 -0.15 -1.61 -1.32 0.00 0.00 176.35 174.08 1rje s GLU 258 N -2.20 1.22 -0.59 1.98 2.02 -1.26 -3.09 118.70 116.77 1rje s GLU 258 Ca 0.11 -0.59 0.04 0.00 0.02 0.00 0.00 54.97 54.55 1rje s GLU 258 Cb -0.09 -1.19 0.15 0.00 0.10 0.00 0.00 34.13 33.10 1rje s GLU 258 CO 0.05 0.32 0.37 -1.64 0.02 0.00 0.00 175.26 174.39 1rje s MET 259 N -0.48 2.09 0.19 1.61 -1.94 -1.26 -4.52 119.30 115.00 1rje s MET 259 Ca 0.06 -2.88 -0.12 0.00 -1.71 0.00 0.00 55.69 51.03 1rje s MET 259 Cb -0.06 -3.20 0.11 0.00 2.01 0.00 0.00 34.83 33.69 1rje s MET 259 CO -0.00 -1.21 1.85 -1.35 -0.01 0.00 0.00 175.02 174.30 1rje h PRO 260 N 5.98 0.85 -0.94 2.03 0.11 -1.77 -3.08 132.00 135.17 1rje h PRO 260 Ca 0.04 -0.06 -0.58 0.00 0.11 0.00 0.00 66.00 65.51 1rje h PRO 260 Cb 0.83 -0.19 -0.29 0.00 0.11 0.00 0.00 31.00 31.46 1rje h PRO 260 CO 0.67 0.58 0.63 0.25 -0.21 0.00 0.00 178.00 179.93 1rje n THR 261 N -4.62 3.35 0.03 -1.15 -2.24 -1.26 -4.48 114.28 103.91 1rje n THR 261 Ca 0.05 -2.66 -0.20 0.00 -2.27 0.00 0.00 64.05 58.97 1rje n THR 261 Cb 0.03 -0.87 -0.14 0.00 -2.10 0.00 0.00 70.33 67.25 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 1.61 0.41 -0.35 3.22 5.85 -1.85 -3.16 115.31 121.03 1rje h LEU 262 Ca 0.58 -0.95 -0.14 0.00 0.84 0.00 0.00 57.88 58.22 1rje h LEU 262 Cb 1.61 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 1rje h LEU 262 CO 1.30 1.38 -0.65 0.24 -0.34 0.00 0.00 178.44 180.37 1rje h MET 263 N -0.43 0.00 0.14 1.25 2.86 -1.83 -2.78 114.93 114.14 1rje h MET 263 Ca -0.15 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1rje h MET 263 Cb 1.59 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.25 1rje h MET 263 CO 0.13 0.65 -0.07 1.15 1.06 0.00 0.00 176.91 179.83 1rje h THR 264 N 0.00 1.01 -2.57 2.22 2.02 -1.84 -3.30 112.91 110.46 1rje h THR 264 Ca -0.01 -0.72 -0.80 0.00 0.77 0.00 0.00 66.41 65.65 1rje h THR 264 Cb 1.34 1.45 -0.28 0.00 -1.74 0.00 0.00 68.15 68.93 1rje h THR 264 CO 0.08 0.17 0.87 -1.22 0.37 0.00 0.00 175.52 175.79 1rje n TYR 265 N -5.02 2.54 0.88 3.16 4.02 -1.19 -4.80 117.16 116.74 1rje n TYR 265 Ca -0.09 -2.61 0.14 0.00 -0.01 0.00 0.00 57.90 55.33 1rje n TYR 265 Cb 0.22 -1.20 0.55 0.00 -0.02 0.00 0.00 39.34 38.89 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 0.60 0.26 -4.59 7.72 6.94 -1.23 -4.27 115.26 120.70 1rje n ASN 266 Ca 0.36 0.52 -0.27 0.00 -0.02 0.00 0.00 54.58 55.18 1rje n ASN 266 Cb 0.30 -0.59 -0.10 0.00 -2.36 0.00 0.00 39.78 37.02 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 -3.48 3.85 0.48 0.53 1.04 -1.26 -1.42 113.70 113.43 1rje s SER 267 Ca 0.13 -1.24 0.27 0.00 0.48 0.00 0.00 55.95 55.59 1rje s SER 267 Cb 0.17 -0.39 0.87 0.00 0.10 0.00 0.00 66.02 66.77 1rje s SER 267 CO 0.55 -0.31 1.80 0.07 0.98 0.00 0.00 173.24 176.33 1rje h LYS 268 N 1.89 0.00 0.13 4.02 2.10 -1.94 -2.86 116.57 119.92 1rje h LYS 268 Ca -0.43 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 57.92 1rje h LYS 268 Cb 1.25 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.60 1rje h LYS 268 CO 0.74 0.08 -1.26 0.93 -2.00 0.00 0.00 179.45 177.94 1rje h GLU 269 N 0.00 0.56 -0.26 0.07 3.07 -1.96 -2.93 114.58 113.13 1rje h GLU 269 Ca -0.00 -0.78 -0.14 0.00 -0.50 0.00 0.00 59.36 57.94 1rje h GLU 269 Cb 0.77 0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 28.94 1rje h GLU 269 CO 0.01 1.35 -0.40 0.87 -1.40 0.00 0.00 179.01 179.44 1rje h LYS 270 N 0.23 0.62 -0.40 2.33 1.57 -1.92 -2.56 116.57 116.44 1rje h LYS 270 Ca -0.19 -0.32 -0.11 0.00 -1.87 0.00 0.00 60.65 58.17 1rje h LYS 270 Cb 1.94 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.24 1rje h LYS 270 CO 0.24 0.91 -0.20 -0.92 -0.57 0.00 0.00 179.45 178.91 1rje h TYR 271 N 0.51 0.87 0.00 -1.35 3.20 -1.61 -2.99 116.97 115.60 1rje h TYR 271 Ca 0.04 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.72 1rje h TYR 271 Cb 0.92 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.98 1rje h TYR 271 CO 0.04 0.90 0.00 0.00 -1.64 0.00 0.00 178.16 177.46 1rje h ALA 272 N 1.10 1.00 0.00 1.82 0.00 -1.38 -3.09 119.26 118.71 1rje h ALA 272 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1rje h ALA 272 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1rje h ALA 272 CO 0.05 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.17 1rje n SER 273 N -2.87 0.33 0.16 0.00 3.41 -0.98 -2.88 113.62 110.79 1rje n SER 273 Ca 0.02 0.55 0.01 0.00 -0.26 0.00 0.00 58.87 59.19 1rje n SER 273 Cb 0.38 -0.63 0.27 0.00 -0.26 0.00 0.00 64.21 63.97 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 0.01 -1.08 4.33 3.08 -1.65 -2.94 114.38 116.12 1rje h ARG 274 Ca 0.00 -0.01 -0.67 0.00 0.07 0.00 0.00 59.98 59.37 1rje h ARG 274 Cb 0.46 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 30.21 1rje h ARG 274 CO 0.00 0.49 0.67 0.91 -1.07 0.00 0.00 179.97 180.96 1rje n TRP 275 N -3.97 3.16 0.26 3.04 8.01 -1.14 -4.68 117.44 122.12 1rje n TRP 275 Ca -0.02 -2.87 0.16 0.00 -1.31 0.00 0.00 57.50 53.47 1rje n TRP 275 Cb 0.50 -1.27 0.56 0.00 -2.01 0.00 0.00 31.31 29.09 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 2.14 0.00 -0.46 -0.99 4.64 -1.65 -2.94 113.55 114.30 1rje h SER 276 Ca 0.57 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.85 1rje h SER 276 Cb 0.82 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.88 1rje h SER 276 CO 1.47 0.01 0.16 0.00 -0.87 0.00 0.00 176.83 177.60 1rje h ALA 277 N 1.99 1.31 -2.77 5.18 0.00 -1.87 -3.42 119.26 119.68 1rje h ALA 277 Ca -0.00 -0.17 -0.51 0.00 0.00 0.00 0.00 54.91 54.23 1rje h ALA 277 Cb 0.63 -0.21 0.04 0.00 0.00 0.00 0.00 17.79 18.25 1rje h ALA 277 CO 0.00 0.50 0.52 0.00 0.00 0.00 0.00 179.25 180.27 1rje s ALA 278 N -5.26 3.29 0.19 0.00 0.00 -1.11 -4.97 121.76 113.89 1rje s ALA 278 Ca -0.09 0.99 0.08 0.00 0.00 0.00 0.00 51.96 52.94 1rje s ALA 278 Cb 0.16 -3.38 0.06 0.00 0.00 0.00 0.00 23.12 19.96 1rje s ALA 278 CO 0.79 -0.44 1.43 -1.00 0.00 0.00 0.00 175.76 176.54 1rje h PRO 279 N 3.10 0.03 -4.57 0.00 0.13 -1.83 -3.42 132.00 125.44 1rje h PRO 279 Ca -0.48 -0.03 -0.68 0.00 -0.87 0.00 0.00 66.00 63.94 1rje h PRO 279 Cb 1.23 0.01 -0.37 0.00 0.13 0.00 0.00 31.00 31.99 1rje h PRO 279 CO 0.64 0.83 -0.63 1.21 -0.23 0.00 0.00 178.00 179.83 1rje s ASN 280 N -6.80 5.03 -0.17 1.44 2.47 -1.16 -5.07 114.94 110.67 1rje s ASN 280 Ca -0.01 -2.10 0.01 0.00 0.42 0.00 0.00 52.86 51.18 1rje s ASN 280 Cb 0.11 -1.74 0.02 0.00 -1.45 0.00 0.00 41.25 38.20 1rje s ASN 280 CO 0.80 -0.47 -0.17 -0.69 -3.72 0.00 0.00 177.10 172.85 1rje s VAL 281 N 1.02 1.85 0.07 -5.21 1.01 -1.26 -1.47 120.40 116.40 1rje s VAL 281 Ca 0.10 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.29 1rje s VAL 281 Cb -0.21 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1rje s VAL 281 CO -0.06 0.46 -0.12 -0.63 0.00 0.00 0.00 175.10 174.75 1rje s ILE 282 N 1.37 3.24 -0.19 2.22 1.01 -1.10 -5.01 121.20 122.73 1rje s ILE 282 Ca 0.04 -1.18 -0.09 0.00 0.00 0.00 0.00 60.65 59.42 1rje s ILE 282 Cb -0.13 -2.46 0.07 0.00 0.01 0.00 0.00 42.46 39.95 1rje s ILE 282 CO -0.11 0.21 0.44 0.54 0.00 0.00 0.00 174.94 176.02 1rje s VAL 283 N -1.10 -0.20 -0.05 2.92 0.11 -1.26 -1.80 120.40 119.02 1rje s VAL 283 Ca 0.19 0.10 -0.02 0.00 -2.93 0.00 0.00 61.98 59.32 1rje s VAL 283 Cb -0.11 -0.67 0.04 0.00 -1.53 0.00 0.00 36.38 34.11 1rje s VAL 283 CO 0.10 0.04 0.09 0.20 -3.33 0.00 0.00 175.10 172.21 1rje s ASN 284 N 1.76 0.30 0.98 3.54 0.01 -1.18 -5.01 114.94 115.35 1rje s ASN 284 Ca -0.08 0.17 -0.12 0.00 -0.71 0.00 0.00 52.86 52.13 1rje s ASN 284 Cb -0.09 0.05 0.18 0.00 0.41 0.00 0.00 41.25 41.80 1rje s ASN 284 CO -0.14 -0.17 1.08 1.51 -1.51 0.00 0.00 177.10 177.87 1rje s ASP 285 N 1.49 2.57 0.27 -1.22 -4.77 -1.26 -2.34 116.67 111.41 1rje s ASP 285 Ca -0.05 1.65 0.25 0.00 -3.30 0.00 0.00 52.55 51.11 1rje s ASP 285 Cb -0.12 -2.30 0.92 0.00 -1.09 0.00 0.00 42.92 40.33 1rje s ASP 285 CO -0.04 -3.23 1.75 0.24 0.70 0.00 0.00 175.17 174.59 1rje h MET 286 N -1.96 0.00 -0.00 2.11 2.86 -0.89 -2.14 114.93 114.91 1rje h MET 286 Ca -0.52 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 56.89 1rje h MET 286 Cb 1.30 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.96 1rje h MET 286 CO 0.50 0.00 -0.97 2.35 1.06 0.00 0.00 176.91 179.86 1rje h TRP 287 N 0.00 0.72 -0.10 -0.22 2.91 -1.83 -2.34 115.95 115.08 1rje h TRP 287 Ca 0.00 -0.39 -0.12 0.00 1.13 0.00 0.00 58.89 59.51 1rje h TRP 287 Cb 0.55 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 29.11 1rje h TRP 287 CO 0.00 1.21 -0.46 0.93 -1.03 0.00 0.00 178.44 179.09 1rje h GLU 288 N 0.27 0.24 -0.00 2.65 5.08 -1.75 -2.91 114.58 118.16 1rje h GLU 288 Ca -0.09 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 57.99 1rje h GLU 288 Cb 1.61 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.84 1rje h GLU 288 CO 0.17 0.66 -0.71 0.82 -1.00 0.00 0.00 179.01 178.95 1rje h ILE 289 N 0.20 1.50 -0.26 3.13 2.04 -1.44 -2.71 117.51 119.97 1rje h ILE 289 Ca 0.01 -2.43 -0.14 0.00 1.00 0.00 0.00 64.86 63.30 1rje h ILE 289 Cb 0.89 2.31 -0.01 0.00 -0.74 0.00 0.00 36.82 39.27 1rje h ILE 289 CO 0.07 0.69 -0.43 0.15 0.00 0.00 0.00 178.15 178.64 1rje h PHE 290 N 0.01 0.77 0.00 1.37 3.57 -1.26 -2.38 116.94 119.02 1rje h PHE 290 Ca -0.01 -0.23 -0.24 0.00 3.53 0.00 0.00 57.97 61.02 1rje h PHE 290 Cb 1.26 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.80 1rje h PHE 290 CO 0.00 0.96 -1.62 0.09 -2.23 0.00 0.00 178.31 175.51 1rje n ASN 291 N -4.02 0.82 -0.07 0.41 3.02 -1.11 -4.27 115.26 110.03 1rje n ASN 291 Ca -0.02 0.38 -0.15 0.00 -0.03 0.00 0.00 54.58 54.76 1rje n ASN 291 Cb 0.54 0.10 -0.06 0.00 -0.61 0.00 0.00 39.78 39.75 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 -2.49 1.94 0.13 5.41 0.00 -1.02 -4.78 120.51 119.70 1rje n ALA 292 Ca -0.15 -0.60 -0.24 0.00 0.00 0.00 0.00 53.44 52.45 1rje n ALA 292 Cb 0.96 0.27 -0.15 0.00 0.00 0.00 0.00 19.45 20.54 1rje n ALA 292 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1rje h GLN 293 N -0.41 0.57 -6.41 0.00 4.15 -1.61 -3.44 115.11 107.96 1rje h GLN 293 Ca -0.37 -0.91 -0.54 0.00 0.77 0.00 0.00 58.65 57.61 1rje h GLN 293 Cb 1.37 0.33 -0.02 0.00 0.21 0.00 0.00 27.48 29.37 1rje h GLN 293 CO -0.19 1.43 0.39 0.42 -1.93 0.00 0.00 178.83 178.95 1rje s ILE 294 N -2.72 4.78 0.97 2.39 -1.09 -0.93 -5.04 121.20 119.55 1rje s ILE 294 Ca -0.09 2.00 -0.12 0.00 -2.23 0.00 0.00 60.65 60.20 1rje s ILE 294 Cb 0.04 -4.28 0.17 0.00 -1.58 0.00 0.00 42.46 36.81 1rje s ILE 294 CO 0.94 0.15 1.10 -2.16 -1.23 0.00 0.00 174.94 173.75 1rje s PRO 295 N 1.04 0.69 0.33 2.79 0.04 -1.26 -4.80 135.00 133.84 1rje s PRO 295 Ca 0.53 0.51 0.13 0.00 0.04 0.00 0.00 61.00 62.20 1rje s PRO 295 Cb -0.22 -1.77 0.57 0.00 0.04 0.00 0.00 34.50 33.13 1rje s PRO 295 CO 0.28 -2.55 1.73 1.49 0.04 0.00 0.00 177.00 177.99 1rje h GLU 296 N -1.76 0.00 -0.17 4.56 4.57 -1.97 -2.75 114.58 117.06 1rje h GLU 296 Ca -0.53 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 57.54 1rje h GLU 296 Cb 1.32 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.90 1rje h GLU 296 CO 0.58 0.48 -0.35 0.66 -1.18 0.00 0.00 179.01 179.19 1rje h SER 297 N 0.00 0.36 0.13 1.04 4.64 -2.00 -2.58 113.55 115.14 1rje h SER 297 Ca -0.00 -0.14 -0.22 0.00 -0.47 0.00 0.00 61.79 60.95 1rje h SER 297 Cb 0.87 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 62.86 1rje h SER 297 CO 0.06 0.69 -0.87 -0.33 -0.87 0.00 0.00 176.83 175.52 1rje h GLU 298 N 0.30 0.56 -0.00 4.77 4.39 -1.89 -2.97 114.58 119.73 1rje h GLU 298 Ca 0.03 -0.52 -0.08 0.00 0.34 0.00 0.00 59.36 59.13 1rje h GLU 298 Cb 0.77 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 1rje h GLU 298 CO 0.06 1.15 -0.39 0.00 -1.16 0.00 0.00 179.01 178.67 1rje h ARG 299 N 0.35 0.01 -0.08 2.33 3.08 -1.43 -2.67 114.38 115.97 1rje h ARG 299 Ca -0.07 -0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.80 1rje h ARG 299 Cb 1.49 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.53 1rje h ARG 299 CO 0.16 0.39 -0.71 -0.22 -1.07 0.00 0.00 179.97 178.52 1rje h LYS 300 N 0.00 0.39 -0.30 0.04 3.64 -1.48 -2.99 116.57 115.87 1rje h LYS 300 Ca -0.00 -0.31 -0.14 0.00 -1.27 0.00 0.00 60.65 58.93 1rje h LYS 300 Cb 0.69 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1rje h LYS 300 CO 0.05 0.95 -0.37 -0.09 -2.27 0.00 0.00 179.45 177.72 1rje h ARG 301 N 0.27 0.69 0.00 1.90 2.43 -1.33 -2.91 114.38 115.43 1rje h ARG 301 Ca -0.03 -0.34 -0.12 0.00 -0.81 0.00 0.00 59.98 58.69 1rje h ARG 301 Cb 1.28 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 1rje h ARG 301 CO 0.12 0.95 -0.56 -0.07 -1.51 0.00 0.00 179.97 178.90 1rje h LEU 302 N 0.57 0.00 -1.10 3.80 3.38 -1.53 -2.95 115.31 117.48 1rje h LEU 302 Ca 0.05 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1rje h LEU 302 Cb 0.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1rje h LEU 302 CO 0.08 0.56 -0.41 0.03 0.09 0.00 0.00 178.44 178.78 1rje h ARG 303 N 0.00 0.00 0.00 1.13 3.08 -1.41 -3.01 114.38 114.17 1rje h ARG 303 Ca -0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1rje h ARG 303 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 1rje h ARG 303 CO 0.07 0.41 -0.20 0.66 -1.07 0.00 0.00 179.97 179.85 1rje h SER 304 N 0.00 0.00 0.20 7.04 4.64 -1.33 -3.36 113.55 120.75 1rje h SER 304 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1rje h SER 304 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1rje h SER 304 CO 0.05 0.20 -0.10 -0.07 -0.87 0.00 0.00 176.83 176.04 1rje h LEU 305 N 0.00 -0.23 -8.71 5.97 3.38 -1.53 -3.49 115.31 110.70 1rje h LEU 305 Ca -0.00 0.01 -0.30 0.00 0.09 0.00 0.00 57.88 57.68 1rje h LEU 305 Cb 0.88 0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.55 1rje h LEU 305 CO 0.03 0.22 -0.65 -1.10 0.09 0.00 0.00 178.44 177.02 1rje s GLN 306 N -2.43 1.19 -0.58 1.13 -0.21 -1.23 -5.10 119.66 112.42 1rje s GLN 306 Ca -0.04 -1.60 -0.23 0.00 0.02 0.00 0.00 55.36 53.51 1rje s GLN 306 Cb 0.00 -0.24 0.05 0.00 1.00 0.00 0.00 33.01 33.82 1rje s GLN 306 CO 0.12 -0.18 0.93 -0.06 -2.12 0.00 0.00 175.29 173.97 1rje s PHE 307 N -3.71 2.77 -0.87 0.91 0.40 -1.26 -4.67 117.98 111.55 1rje s PHE 307 Ca 0.28 -0.18 -0.21 0.00 -0.60 0.00 0.00 56.93 56.22 1rje s PHE 307 Cb 0.07 -4.09 0.10 0.00 0.51 0.00 0.00 43.02 39.60 1rje s PHE 307 CO 0.07 -1.41 1.14 -1.17 0.70 0.00 0.00 175.22 174.55 1rje s LEU 308 N 3.91 4.60 0.03 -0.37 2.96 -1.26 -4.86 118.68 123.69 1rje s LEU 308 Ca 0.27 -1.65 -0.18 0.00 -0.22 0.00 0.00 54.13 52.35 1rje s LEU 308 Cb -0.14 -2.43 -0.23 0.00 0.50 0.00 0.00 46.19 43.89 1rje s LEU 308 CO 0.16 -1.25 1.14 0.44 -1.32 0.00 0.00 176.35 175.53 1rje h ASP 309 N 9.20 0.67 -3.91 3.68 3.32 -2.01 -3.40 116.42 123.97 1rje h ASP 309 Ca 0.04 -0.74 -0.74 0.00 0.02 0.00 0.00 57.03 55.62 1rje h ASP 309 Cb 1.03 -0.20 -0.31 0.00 0.22 0.00 0.00 39.33 40.07 1rje h ASP 309 CO 1.18 1.32 -0.20 -1.61 -1.72 0.00 0.00 179.24 178.22 1rje s GLU 310 N -3.28 2.94 0.37 3.56 0.41 -1.26 -4.90 118.70 116.54 1rje s GLU 310 Ca -0.12 -2.40 0.18 0.00 -0.41 0.00 0.00 54.97 52.21 1rje s GLU 310 Cb 0.05 -4.02 0.67 0.00 -1.78 0.00 0.00 34.13 29.05 1rje s GLU 310 CO 0.86 -1.22 1.73 1.25 -0.49 0.00 0.00 175.26 177.39 1rje h LEU 311 N 7.50 0.00 -0.50 1.80 5.85 -2.00 -2.83 115.31 125.12 1rje h LEU 311 Ca 0.00 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.56 1rje h LEU 311 Cb 1.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1rje h LEU 311 CO 0.75 0.39 -0.72 -0.08 -0.34 0.00 0.00 178.44 178.44 1rje h GLU 312 N 0.00 0.21 0.00 1.25 4.57 -1.98 -2.36 114.58 116.27 1rje h GLU 312 Ca -0.00 -0.18 -0.07 0.00 -1.18 0.00 0.00 59.36 57.93 1rje h GLU 312 Cb 0.89 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 1rje h GLU 312 CO 0.05 0.84 -0.33 0.93 -1.18 0.00 0.00 179.01 179.32 1rje h GLU 313 N 0.14 0.00 -0.01 1.92 5.08 -1.94 -1.82 114.58 117.95 1rje h GLU 313 Ca -0.02 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.17 1rje h GLU 313 Cb 1.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1rje h GLU 313 CO 0.11 0.33 -0.78 1.25 -1.00 0.00 0.00 179.01 178.92 1rje h LEU 314 N 0.00 0.16 -0.33 1.33 5.85 -1.34 -3.05 115.31 117.92 1rje h LEU 314 Ca -0.00 -0.12 -0.19 0.00 0.84 0.00 0.00 57.88 58.41 1rje h LEU 314 Cb 0.83 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1rje h LEU 314 CO 0.04 0.87 -0.71 0.50 -0.34 0.00 0.00 178.44 178.81 1rje h LYS 315 N 0.08 0.60 -0.32 1.25 3.64 -1.08 -2.28 116.57 118.46 1rje h LYS 315 Ca -0.02 -0.46 -0.15 0.00 -1.27 0.00 0.00 60.65 58.74 1rje h LYS 315 Cb 1.36 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.26 1rje h LYS 315 CO 0.11 1.08 -0.41 0.28 -2.27 0.00 0.00 179.45 178.24 1rje h VAL 316 N 0.42 1.28 -0.07 2.00 2.07 -1.40 -2.51 116.25 118.04 1rje h VAL 316 Ca -0.03 -1.59 -0.08 0.00 0.82 0.00 0.00 66.70 65.81 1rje h VAL 316 Cb 1.30 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1rje h VAL 316 CO 0.13 0.52 -0.28 -0.03 0.02 0.00 0.00 177.57 177.94 1rje h MET 317 N 0.64 0.31 0.00 1.57 1.85 -1.59 -3.35 114.93 114.36 1rje h MET 317 Ca 0.05 -0.24 0.00 0.00 -0.61 0.00 0.00 59.70 58.90 1rje h MET 317 Cb 0.98 0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.06 1rje h MET 317 CO 0.09 0.88 0.00 1.96 -0.40 0.00 0.00 176.91 179.44 1rje h GLN 318 N -0.19 0.00 0.00 0.39 1.08 -1.43 -2.59 115.11 112.36 1rje h GLN 318 Ca -0.02 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 1rje h GLN 318 Cb 0.92 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 1rje h GLN 318 CO 0.06 0.00 -0.18 1.79 -0.95 0.00 0.00 178.83 179.55 1rje h THR 319 N 0.00 0.38 -0.65 -0.54 1.35 -1.58 -2.42 112.91 109.44 1rje h THR 319 Ca 0.00 -1.18 -0.29 0.00 -0.55 0.00 0.00 66.41 64.39 1rje h THR 319 Cb 0.78 1.89 -0.17 0.00 -1.73 0.00 0.00 68.15 68.91 1rje h THR 319 CO 0.00 0.18 0.37 1.41 -0.25 0.00 0.00 175.52 177.23 1rje n HIS 320 N -3.24 2.05 -4.04 4.73 8.25 -0.98 -4.82 115.22 117.17 1rje n HIS 320 Ca 0.01 -1.26 -0.10 0.00 -0.26 0.00 0.00 57.72 56.12 1rje n HIS 320 Cb 0.48 -0.67 -0.11 0.00 1.12 0.00 0.00 29.99 30.81 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 0.48 0.20 4.41 1.51 -1.14 -2.26 117.35 118.22 1rje s TYR 321 Ca 0.40 -0.67 -0.04 0.00 -1.01 0.00 0.00 57.07 55.76 1rje s TYR 321 Cb 0.33 -0.32 -0.03 0.00 -0.11 0.00 0.00 41.96 41.84 1rje s TYR 321 CO 0.09 -0.20 0.21 0.96 -1.11 0.00 0.00 175.55 175.50 1rje s ILE 322 N -2.15 0.01 -0.22 2.71 -4.36 -0.78 -1.98 121.20 114.43 1rje s ILE 322 Ca -0.07 -1.83 -0.04 0.00 -0.26 0.00 0.00 60.65 58.44 1rje s ILE 322 Cb -0.05 -2.38 0.08 0.00 1.25 0.00 0.00 42.46 41.37 1rje s ILE 322 CO -0.03 -0.04 0.13 -0.22 0.24 0.00 0.00 174.94 175.02 1rje s LEU 323 N -3.11 0.34 0.05 0.37 2.96 -0.99 -3.47 118.68 114.83 1rje s LEU 323 Ca 0.33 -0.83 -0.04 0.00 -0.22 0.00 0.00 54.13 53.37 1rje s LEU 323 Cb 0.05 -0.18 -0.05 0.00 0.50 0.00 0.00 46.19 46.51 1rje s LEU 323 CO 0.10 -0.38 0.27 -0.32 -1.32 0.00 0.00 176.35 174.70 1rje s MET 324 N 2.15 3.54 -0.31 1.98 -2.45 -0.83 -3.07 119.30 120.31 1rje s MET 324 Ca 0.05 -0.19 -0.02 0.00 -1.25 0.00 0.00 55.69 54.28 1rje s MET 324 Cb -0.16 -3.02 0.12 0.00 1.25 0.00 0.00 34.83 33.02 1rje s MET 324 CO -0.21 0.60 0.17 0.15 1.05 0.00 0.00 175.02 176.79 1rje s LYS 325 N -2.17 0.32 -0.52 4.11 1.02 -0.75 -2.31 119.74 119.45 1rje s LYS 325 Ca 0.32 -0.77 -0.14 0.00 0.02 0.00 0.00 55.97 55.41 1rje s LYS 325 Cb -0.13 -1.15 0.12 0.00 -0.52 0.00 0.00 37.83 36.15 1rje s LYS 325 CO 0.21 -1.09 0.45 0.00 -0.92 0.00 0.00 175.35 174.01 1rje s ALA 326 N 1.77 3.58 -0.11 5.17 0.00 -1.08 -2.72 121.76 128.37 1rje s ALA 326 Ca 0.12 -2.50 -0.14 0.00 0.00 0.00 0.00 51.96 49.44 1rje s ALA 326 Cb -0.18 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 1rje s ALA 326 CO -0.24 -1.97 0.34 -0.65 0.00 0.00 0.00 175.76 173.24 1rje s GLN 327 N 1.54 4.12 0.13 0.00 -0.21 -0.55 -2.11 119.66 122.59 1rje s GLN 327 Ca 0.04 0.21 0.01 0.00 0.02 0.00 0.00 55.36 55.63 1rje s GLN 327 Cb -0.29 -3.36 -0.04 0.00 1.00 0.00 0.00 33.01 30.32 1rje s GLN 327 CO 0.02 0.38 -0.01 1.67 -2.12 0.00 0.00 175.29 175.23 1rje s TRP 328 N -0.00 1.00 -0.48 0.91 -2.14 -1.18 -3.00 118.94 114.04 1rje s TRP 328 Ca 0.20 -1.03 0.06 0.00 2.66 0.00 0.00 56.10 57.99 1rje s TRP 328 Cb -0.14 -0.58 0.23 0.00 -3.10 0.00 0.00 33.47 29.88 1rje s TRP 328 CO 0.07 -0.26 0.81 1.58 -2.66 0.00 0.00 176.95 176.49 1rje n HIS 329 N -0.13 -3.03 -2.27 1.66 -0.00 -1.25 -2.79 115.22 107.41 1rje n HIS 329 Ca -0.09 -1.94 -0.25 0.00 0.46 0.00 0.00 57.72 55.90 1rje n HIS 329 Cb 0.62 1.30 0.08 0.00 -0.12 0.00 0.00 29.99 31.88 1rje n HIS 329 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1rje s HIS 330 N 0.49 2.56 -0.40 1.57 -3.43 -1.09 -4.99 115.29 110.01 1rje s HIS 330 Ca 0.32 0.27 0.03 0.00 -0.80 0.00 0.00 55.06 54.88 1rje s HIS 330 Cb 0.18 -3.23 0.16 0.00 -1.43 0.00 0.00 32.58 28.26 1rje s HIS 330 CO -0.20 -1.54 0.30 -1.01 -2.00 0.00 0.00 174.74 170.29 1rje s HIS 331 N -3.26 1.01 -1.18 0.38 3.76 -1.26 -4.77 115.29 109.98 1rje s HIS 331 Ca 0.62 -2.13 0.24 0.00 -0.15 0.00 0.00 55.06 53.64 1rje s HIS 331 Cb -0.09 -0.94 0.23 0.00 1.11 0.00 0.00 32.58 32.89 1rje s HIS 331 CO 0.45 -0.83 1.22 0.72 -0.85 0.00 0.00 174.74 175.46 1rje n HIS 332 N 3.19 0.00 -3.25 1.40 8.25 -1.26 -5.01 115.22 118.54 1rje n HIS 332 Ca 0.24 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.55 1rje n HIS 332 Cb 0.44 -0.13 0.07 0.00 1.12 0.00 0.00 29.99 31.50 1rje n HIS 332 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1rje n HIS 333 N -1.27 -2.35 1.26 4.41 8.25 -1.26 -5.27 115.22 118.98 1rje n HIS 333 Ca 0.06 0.86 0.13 0.00 -0.26 0.00 0.00 57.72 58.51 1rje n HIS 333 Cb 0.35 -4.29 0.32 0.00 1.12 0.00 0.00 29.99 27.49 1rje n HIS 333 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70