#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r85 n LYS 2 N 0.00 0.43 -3.87 0.03 2.85 -1.26 -4.61 118.16 111.73 2r85 n LYS 2 Ca 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 2r85 n LYS 2 Cb 0.00 -1.37 -0.12 0.00 -0.65 0.00 0.00 35.03 32.89 2r85 n LYS 2 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2r85 s VAL 3 N -2.00 0.05 0.10 0.58 1.01 -1.26 -4.94 120.40 113.93 2r85 s VAL 3 Ca 0.15 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.76 2r85 s VAL 3 Cb 0.07 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 2r85 s VAL 3 CO 0.12 -0.21 0.21 -0.13 0.00 0.00 0.00 175.10 175.08 2r85 s ARG 4 N -0.68 3.32 -0.21 2.72 0.52 -0.57 -4.67 118.95 119.38 2r85 s ARG 4 Ca -0.08 -0.55 -0.09 0.00 -0.52 0.00 0.00 55.73 54.49 2r85 s ARG 4 Cb -0.05 -2.94 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 2r85 s ARG 4 CO 0.00 0.57 0.10 0.42 0.02 0.00 0.00 175.30 176.41 2r85 s ILE 5 N -1.58 4.99 0.09 1.52 1.01 -0.61 -0.65 121.20 125.98 2r85 s ILE 5 Ca 0.34 0.04 0.09 0.00 0.00 0.00 0.00 60.65 61.12 2r85 s ILE 5 Cb -0.12 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 2r85 s ILE 5 CO 0.27 0.41 -0.24 0.00 0.00 0.00 0.00 174.94 175.38 2r85 s ALA 6 N 0.70 2.07 0.09 9.38 0.00 0.03 -1.22 121.76 132.80 2r85 s ALA 6 Ca 0.05 -1.28 -0.15 0.00 0.00 0.00 0.00 51.96 50.58 2r85 s ALA 6 Cb -0.13 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.67 2r85 s ALA 6 CO 0.02 0.46 0.36 -0.08 0.00 0.00 0.00 175.76 176.52 2r85 s THR 7 N -0.99 0.08 0.35 0.00 -1.32 -0.58 -0.89 115.64 112.30 2r85 s THR 7 Ca 0.10 -0.65 -0.28 0.00 -1.21 0.00 0.00 61.69 59.65 2r85 s THR 7 Cb -0.10 -1.12 -0.10 0.00 -1.51 0.00 0.00 72.50 69.67 2r85 s THR 7 CO 0.04 -0.36 1.27 -0.47 -2.21 0.00 0.00 174.62 172.89 2r85 s TYR 8 N -3.40 3.05 -1.46 9.09 5.04 -1.26 -1.82 117.35 126.59 2r85 s TYR 8 Ca 0.01 1.46 -0.13 0.00 -2.44 0.00 0.00 57.07 55.96 2r85 s TYR 8 Cb 0.01 -3.61 0.04 0.00 0.35 0.00 0.00 41.96 38.76 2r85 s TYR 8 CO -0.09 -1.72 2.27 0.00 -1.34 0.00 0.00 175.55 174.67 2r85 n ALA 9 N 0.61 5.72 -3.88 3.97 0.00 0.75 -4.51 120.51 123.16 2r85 n ALA 9 Ca 0.01 -3.88 -0.01 0.00 0.00 0.00 0.00 53.44 49.56 2r85 n ALA 9 Cb 0.43 -3.49 0.01 0.00 0.00 0.00 0.00 19.45 16.41 2r85 n ALA 9 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2r85 s SER 10 N 2.94 -0.01 0.00 0.00 1.04 -1.26 -4.77 113.70 111.64 2r85 s SER 10 Ca 0.49 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.41 2r85 s SER 10 Cb 0.14 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2r85 s SER 10 CO -0.08 -0.76 0.00 1.57 0.98 0.00 0.00 173.24 174.94 2r85 n HIS 11 N -0.72 0.00 -1.97 5.02 -0.00 -1.26 -2.39 115.22 113.90 2r85 n HIS 11 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 2r85 n HIS 11 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.59 2r85 n HIS 11 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 2r85 n SER 12 N 1.96 0.00 -0.07 0.26 3.41 -1.26 -4.75 113.62 113.17 2r85 n SER 12 Ca 0.00 -1.11 0.02 0.00 -0.26 0.00 0.00 58.87 57.53 2r85 n SER 12 Cb 0.00 -0.02 0.35 0.00 -0.26 0.00 0.00 64.21 64.27 2r85 n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2r85 h ALA 13 N 0.00 1.57 0.10 7.33 0.00 -1.70 -0.84 119.26 125.72 2r85 h ALA 13 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2r85 h ALA 13 Cb 1.04 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2r85 h ALA 13 CO 0.00 0.37 -0.07 -0.07 0.00 0.00 0.00 179.25 179.48 2r85 h LEU 14 N 0.69 -0.18 -0.50 0.00 3.38 -1.93 -0.19 115.31 116.58 2r85 h LEU 14 Ca 0.18 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2r85 h LEU 14 Cb -0.00 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2r85 h LEU 14 CO -0.03 -0.11 0.31 -0.61 0.09 0.00 0.00 178.44 178.09 2r85 h GLN 15 N -0.17 0.68 -0.06 1.13 4.15 -1.87 -0.70 115.11 118.26 2r85 h GLN 15 Ca -0.01 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 2r85 h GLN 15 Cb 0.15 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 2r85 h GLN 15 CO -0.00 0.48 0.03 0.82 -1.93 0.00 0.00 178.83 178.23 2r85 h ILE 16 N 0.67 1.10 -0.06 2.39 2.04 -0.99 -1.04 117.51 121.62 2r85 h ILE 16 Ca 0.18 -0.28 -0.18 0.00 1.00 0.00 0.00 64.86 65.58 2r85 h ILE 16 Cb -0.03 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2r85 h ILE 16 CO -0.04 0.08 -0.74 -0.07 0.00 0.00 0.00 178.15 177.38 2r85 h LEU 17 N -0.02 0.42 -0.65 1.44 3.38 -0.95 -0.79 115.31 118.15 2r85 h LEU 17 Ca 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2r85 h LEU 17 Cb 0.11 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2r85 h LEU 17 CO -0.00 1.02 0.38 0.50 0.09 0.00 0.00 178.44 180.43 2r85 h LYS 18 N 0.24 0.89 -0.67 1.13 1.63 -1.08 -0.13 116.57 118.58 2r85 h LYS 18 Ca -0.03 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 2r85 h LYS 18 Cb 1.32 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 32.73 2r85 h LYS 18 CO 0.12 0.64 0.42 0.78 -3.45 0.00 0.00 179.45 177.97 2r85 h GLY 19 N 0.88 0.95 0.99 5.01 0.00 -0.85 -0.49 103.07 109.57 2r85 h GLY 19 Ca 0.23 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2r85 h GLY 19 CO -0.04 0.37 0.22 0.00 0.00 0.00 0.00 176.54 177.09 2r85 h ALA 20 N 1.22 0.43 -0.37 3.60 0.00 -0.80 -2.31 119.26 121.03 2r85 h ALA 20 Ca 0.24 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2r85 h ALA 20 Cb -0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2r85 h ALA 20 CO -0.05 -0.11 0.10 0.87 0.00 0.00 0.00 179.25 180.06 2r85 h LYS 21 N 0.45 0.54 0.00 0.00 1.79 -0.62 -1.50 116.57 117.24 2r85 h LYS 21 Ca 0.13 -0.08 -0.06 0.00 -2.18 0.00 0.00 60.65 58.46 2r85 h LYS 21 Cb -0.05 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.50 2r85 h LYS 21 CO -0.03 0.49 -0.27 -0.44 -1.08 0.00 0.00 179.45 178.12 2r85 h ASP 22 N 0.54 0.00 -0.56 0.86 3.45 -0.75 -2.91 116.42 117.04 2r85 h ASP 22 Ca 0.13 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.59 2r85 h ASP 22 Cb 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.96 2r85 h ASP 22 CO -0.01 0.27 0.00 -0.62 -1.57 0.00 0.00 179.24 177.31 2r85 n GLU 23 N -3.75 2.57 -0.57 3.56 -0.58 -0.73 -4.96 120.64 116.19 2r85 n GLU 23 Ca -0.01 -2.42 0.00 0.00 -0.42 0.00 0.00 57.16 54.31 2r85 n GLU 23 Cb 0.37 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 2r85 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2r85 n GLY 24 N 1.57 0.66 3.88 0.62 0.00 -0.93 -5.02 105.19 105.98 2r85 n GLY 24 Ca 0.22 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 2r85 n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2r85 s PHE 25 N -2.00 3.50 0.44 1.61 0.08 -0.64 -4.58 117.98 116.39 2r85 s PHE 25 Ca 0.00 0.72 -0.21 0.00 0.12 0.00 0.00 56.93 57.56 2r85 s PHE 25 Cb 0.00 -2.13 -0.10 0.00 -0.57 0.00 0.00 43.02 40.22 2r85 s PHE 25 CO 0.00 0.42 0.97 -1.21 -0.10 0.00 0.00 175.22 175.30 2r85 s GLU 26 N -2.46 4.13 0.08 0.44 2.02 -1.26 -4.05 118.70 117.60 2r85 s GLU 26 Ca 0.40 1.18 0.08 0.00 0.02 0.00 0.00 54.97 56.65 2r85 s GLU 26 Cb -0.12 -2.16 -0.03 0.00 0.10 0.00 0.00 34.13 31.91 2r85 s GLU 26 CO 0.22 -0.13 -0.20 0.95 0.02 0.00 0.00 175.26 176.12 2r85 s THR 27 N -2.13 1.62 -0.04 3.63 -4.23 -1.26 -1.57 115.64 111.65 2r85 s THR 27 Ca 0.63 -1.41 0.01 0.00 -1.18 0.00 0.00 61.69 59.74 2r85 s THR 27 Cb -0.11 -1.46 0.02 0.00 1.34 0.00 0.00 72.50 72.30 2r85 s THR 27 CO 0.15 -0.01 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.56 2r85 s ILE 28 N -1.06 0.49 -0.00 2.99 1.01 -0.36 -1.59 121.20 122.67 2r85 s ILE 28 Ca 0.06 -0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.65 2r85 s ILE 28 Cb -0.10 -0.53 -0.03 0.00 0.01 0.00 0.00 42.46 41.81 2r85 s ILE 28 CO 0.03 0.22 -0.06 0.00 0.00 0.00 0.00 174.94 175.13 2r85 s ALA 29 N 1.01 3.05 -0.01 9.38 0.00 -0.32 -1.52 121.76 133.34 2r85 s ALA 29 Ca -0.10 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.88 2r85 s ALA 29 Cb -0.14 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.82 2r85 s ALA 29 CO -0.01 0.61 -0.05 -0.59 0.00 0.00 0.00 175.76 175.73 2r85 s PHE 30 N -0.99 0.47 -2.34 0.00 -0.71 -0.75 -1.00 117.98 112.65 2r85 s PHE 30 Ca 0.17 -0.09 0.00 0.00 -1.04 0.00 0.00 56.93 55.97 2r85 s PHE 30 Cb -0.11 -0.34 0.00 0.00 -1.21 0.00 0.00 43.02 41.36 2r85 s PHE 30 CO 0.07 -0.03 0.00 0.41 -1.34 0.00 0.00 175.22 174.33 2r85 n GLY 31 N 3.14 -0.56 3.79 1.99 0.00 -0.66 -0.18 105.19 112.71 2r85 n GLY 31 Ca -0.15 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 2r85 n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2r85 s SER 32 N -4.00 6.53 0.52 1.61 1.04 -1.26 -2.66 113.70 115.48 2r85 s SER 32 Ca 0.00 2.00 0.17 0.00 0.48 0.00 0.00 55.95 58.59 2r85 s SER 32 Cb 0.00 -2.57 1.28 0.00 0.10 0.00 0.00 66.02 64.82 2r85 s SER 32 CO 0.00 -0.65 2.14 0.28 0.98 0.00 0.00 173.24 175.99 2r85 h SER 33 N 2.02 0.00 -0.38 7.02 0.02 -1.94 -2.90 113.55 117.39 2r85 h SER 33 Ca -0.49 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.45 2r85 h SER 33 Cb 1.22 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.74 2r85 h SER 33 CO 0.61 0.00 0.21 0.50 -1.14 0.00 0.00 176.83 177.01 2r85 h LYS 34 N 0.00 0.55 -0.03 3.45 3.64 -2.00 -2.92 116.57 119.26 2r85 h LYS 34 Ca 0.02 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2r85 h LYS 34 Cb 0.07 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2r85 h LYS 34 CO -0.00 0.42 -0.07 1.33 -2.27 0.00 0.00 179.45 178.85 2r85 n VAL 35 N -4.42 0.00 -0.26 2.00 0.24 -1.10 -4.51 118.33 110.27 2r85 n VAL 35 Ca 0.03 -0.45 0.07 0.00 -2.04 0.00 0.00 64.34 61.94 2r85 n VAL 35 Cb 0.10 1.41 0.19 0.00 -1.47 0.00 0.00 33.84 34.07 2r85 n VAL 35 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2r85 h LYS 36 N 4.25 0.14 -0.26 7.34 3.64 -1.52 -1.01 116.57 129.15 2r85 h LYS 36 Ca 0.00 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 2r85 h LYS 36 Cb 0.94 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 2r85 h LYS 36 CO 0.00 0.09 0.18 -1.35 -2.27 0.00 0.00 179.45 176.10 2r85 h PRO 37 N 0.15 0.13 -0.95 1.90 0.11 -1.82 -2.24 132.00 129.28 2r85 h PRO 37 Ca 0.44 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.58 2r85 h PRO 37 Cb 0.79 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.82 2r85 h PRO 37 CO -0.64 0.09 0.62 1.25 -0.21 0.00 0.00 178.00 179.11 2r85 h LEU 38 N 0.14 1.02 -0.51 2.35 5.85 -1.50 0.77 115.31 123.43 2r85 h LEU 38 Ca 0.11 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2r85 h LEU 38 Cb 0.28 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2r85 h LEU 38 CO -0.02 0.70 -0.59 -1.22 -0.34 0.00 0.00 178.44 176.97 2r85 n TYR 39 N -4.49 0.00 0.00 1.25 4.02 -0.88 -1.34 117.16 115.72 2r85 n TYR 39 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 2r85 n TYR 39 Cb 0.10 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 2r85 n TYR 39 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2r85 n THR 40 N -0.73 0.00 0.04 -0.72 -2.24 -0.99 -1.58 114.28 108.06 2r85 n THR 40 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2r85 n THR 40 Cb 0.39 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 2r85 n THR 40 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2r85 n LYS 41 N -0.98 0.00 -0.16 -0.78 4.81 0.13 -4.51 118.16 116.67 2r85 n LYS 41 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 2r85 n LYS 41 Cb 0.02 -0.39 -0.00 0.00 0.02 0.00 0.00 35.03 34.68 2r85 n LYS 41 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 2r85 h TYR 42 N 0.00 1.14 -2.79 5.64 -1.99 -1.30 -3.36 116.97 114.31 2r85 h TYR 42 Ca 0.00 -0.28 -0.59 0.00 2.00 0.00 0.00 58.73 59.86 2r85 h TYR 42 Cb 0.00 -0.27 -0.40 0.00 2.00 0.00 0.00 36.73 38.07 2r85 h TYR 42 CO 0.00 1.10 -0.80 -0.06 -0.00 0.00 0.00 178.16 178.41 2r85 s PHE 43 N -4.68 1.27 -0.87 4.88 0.40 -0.45 -5.05 117.98 113.47 2r85 s PHE 43 Ca -0.11 -1.93 -0.25 0.00 -0.60 0.00 0.00 56.93 54.04 2r85 s PHE 43 Cb 0.12 -1.35 -0.07 0.00 0.51 0.00 0.00 43.02 42.23 2r85 s PHE 43 CO 0.87 -0.81 2.07 -1.25 0.70 0.00 0.00 175.22 176.80 2r85 s PRO 44 N 0.85 2.29 0.00 0.24 0.04 -1.26 -3.77 135.00 133.38 2r85 s PRO 44 Ca 0.17 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.13 2r85 s PRO 44 Cb -0.23 -4.99 0.00 0.00 0.04 0.00 0.00 34.50 29.32 2r85 s PRO 44 CO -0.02 -3.68 0.00 1.33 0.04 0.00 0.00 177.00 174.67 2r85 n VAL 45 N 8.13 0.00 -3.67 -0.36 0.24 -0.78 -4.99 118.33 116.91 2r85 n VAL 45 Ca 0.42 -0.26 -0.38 0.00 -2.04 0.00 0.00 64.34 62.08 2r85 n VAL 45 Cb 0.46 0.78 -0.12 0.00 -1.47 0.00 0.00 33.84 33.49 2r85 n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2r85 s ALA 46 N -1.14 3.24 0.23 2.33 0.00 -0.62 -4.62 121.76 121.18 2r85 s ALA 46 Ca 0.00 -1.41 0.02 0.00 0.00 0.00 0.00 51.96 50.57 2r85 s ALA 46 Cb 0.00 -2.34 0.25 0.00 0.00 0.00 0.00 23.12 21.03 2r85 s ALA 46 CO 0.00 -0.92 1.58 -0.44 0.00 0.00 0.00 175.76 175.98 2r85 h ASP 47 N 8.33 0.41 -4.23 0.00 3.32 -1.67 -3.43 116.42 119.15 2r85 h ASP 47 Ca -0.32 -0.21 -0.55 0.00 0.02 0.00 0.00 57.03 55.98 2r85 h ASP 47 Cb 1.14 -0.12 -0.30 0.00 0.22 0.00 0.00 39.33 40.28 2r85 h ASP 47 CO 0.61 0.85 -0.83 -0.31 -1.72 0.00 0.00 179.24 177.84 2r85 s TYR 48 N -3.97 1.59 -0.15 4.55 1.51 -0.62 -5.01 117.35 115.25 2r85 s TYR 48 Ca -0.05 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 55.67 2r85 s TYR 48 Cb 0.12 -1.03 0.02 0.00 -0.11 0.00 0.00 41.96 40.96 2r85 s TYR 48 CO 0.81 -0.06 -0.13 0.12 -1.11 0.00 0.00 175.55 175.18 2r85 s PHE 49 N -0.31 2.08 -0.22 2.71 5.36 -1.26 -1.18 117.98 125.16 2r85 s PHE 49 Ca 0.04 -1.17 -0.07 0.00 -0.96 0.00 0.00 56.93 54.78 2r85 s PHE 49 Cb -0.08 -1.54 -0.03 0.00 -0.34 0.00 0.00 43.02 41.03 2r85 s PHE 49 CO -0.00 -0.65 0.06 0.42 -1.46 0.00 0.00 175.22 173.59 2r85 s ILE 50 N 1.52 4.42 -0.23 3.12 1.01 -0.17 -5.00 121.20 125.86 2r85 s ILE 50 Ca 0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.51 2r85 s ILE 50 Cb -0.13 -3.03 -0.06 0.00 0.01 0.00 0.00 42.46 39.25 2r85 s ILE 50 CO -0.10 0.38 2.97 -0.62 0.00 0.00 0.00 174.94 177.57 2r85 n GLU 51 N 4.43 2.08 -4.05 2.79 1.02 -1.26 -1.66 120.64 124.00 2r85 n GLU 51 Ca -0.16 -1.58 -0.12 0.00 -0.02 0.00 0.00 57.16 55.28 2r85 n GLU 51 Cb 0.52 -1.95 -0.11 0.00 -0.02 0.00 0.00 31.44 29.87 2r85 n GLU 51 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2r85 s GLU 52 N -0.55 0.48 0.14 3.49 2.02 -1.09 -4.71 118.70 118.48 2r85 s GLU 52 Ca 0.55 -0.73 -0.18 0.00 0.02 0.00 0.00 54.97 54.63 2r85 s GLU 52 Cb 0.32 -0.21 -0.01 0.00 0.10 0.00 0.00 34.13 34.32 2r85 s GLU 52 CO -0.10 0.03 1.77 -0.22 0.02 0.00 0.00 175.26 176.76 2r85 h LYS 53 N 4.54 0.28 -1.52 1.61 3.64 -1.88 -2.67 116.57 120.56 2r85 h LYS 53 Ca -0.35 -0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 58.75 2r85 h LYS 53 Cb 1.20 -0.06 -0.25 0.00 -0.41 0.00 0.00 32.23 32.71 2r85 h LYS 53 CO 0.41 0.19 -0.61 -0.47 -2.27 0.00 0.00 179.45 176.69 2r85 s TYR 54 N -6.17 -0.83 -1.38 1.91 5.04 -1.26 -4.74 117.35 109.93 2r85 s TYR 54 Ca -0.13 -0.64 -0.14 0.00 -2.44 0.00 0.00 57.07 53.72 2r85 s TYR 54 Cb 0.10 -0.10 0.08 0.00 0.35 0.00 0.00 41.96 42.39 2r85 s TYR 54 CO 0.70 -1.08 2.01 -0.35 -1.34 0.00 0.00 175.55 175.50 2r85 n PRO 55 N 3.84 3.11 -0.00 4.97 -0.04 -1.26 -4.82 135.00 140.79 2r85 n PRO 55 Ca 0.15 -3.00 -0.09 0.00 -0.04 0.00 0.00 63.50 60.52 2r85 n PRO 55 Cb 0.51 -3.23 -0.03 0.00 -0.04 0.00 0.00 33.50 30.71 2r85 n PRO 55 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2r85 h GLU 56 N 6.30 -0.19 -0.71 0.54 4.81 -1.99 -0.76 114.58 122.59 2r85 h GLU 56 Ca 0.49 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.73 2r85 h GLU 56 Cb 0.69 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.08 2r85 h GLU 56 CO 1.71 -0.12 0.40 1.49 -0.73 0.00 0.00 179.01 181.76 2r85 h GLU 57 N -0.19 0.98 -0.58 1.92 4.81 -2.00 -0.74 114.58 118.79 2r85 h GLU 57 Ca 0.10 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 2r85 h GLU 57 Cb 0.33 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 2r85 h GLU 57 CO -0.25 0.73 -0.05 1.49 -0.73 0.00 0.00 179.01 180.20 2r85 h GLU 58 N 0.98 1.05 -0.65 1.92 4.81 -1.91 -1.94 114.58 118.83 2r85 h GLU 58 Ca 0.25 -0.36 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 2r85 h GLU 58 Cb 0.02 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 2r85 h GLU 58 CO -0.04 1.06 0.23 -0.07 -0.73 0.00 0.00 179.01 179.46 2r85 h LEU 59 N 0.94 0.93 -0.67 1.64 3.38 -0.75 -1.28 115.31 119.50 2r85 h LEU 59 Ca 0.16 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2r85 h LEU 59 Cb 0.62 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2r85 h LEU 59 CO 0.04 0.87 0.35 -0.07 0.09 0.00 0.00 178.44 179.72 2r85 h LEU 60 N 0.93 0.85 -1.50 1.67 3.38 -1.03 -1.79 115.31 117.83 2r85 h LEU 60 Ca 0.21 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2r85 h LEU 60 Cb 0.26 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2r85 h LEU 60 CO -0.01 0.72 -0.07 -1.13 0.09 0.00 0.00 178.44 178.04 2r85 h ASN 61 N 0.92 0.22 -0.11 -0.43 -0.00 -1.02 -1.98 115.58 113.18 2r85 h ASN 61 Ca 0.23 -0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.50 2r85 h ASN 61 Cb 0.07 -0.06 0.00 0.00 -0.00 0.00 0.00 38.32 38.34 2r85 h ASN 61 CO -0.03 0.33 0.00 0.18 -0.00 0.00 0.00 177.43 177.91 2r85 n LEU 62 N -4.33 1.18 -3.70 0.34 4.77 -0.51 -4.92 117.00 109.83 2r85 n LEU 62 Ca -0.01 -0.49 -0.26 0.00 -0.03 0.00 0.00 56.01 55.23 2r85 n LEU 62 Cb 0.22 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.30 2r85 n LEU 62 CO 0.37 0.24 0.19 0.59 -1.33 0.00 0.00 177.39 177.46 2r85 n ASN 63 N -0.00 -5.61 -4.80 -1.43 3.02 -0.74 -4.31 115.26 101.39 2r85 n ASN 63 Ca 0.16 -0.63 -0.35 0.00 -0.03 0.00 0.00 54.58 53.73 2r85 n ASN 63 Cb 0.25 -4.65 -0.06 0.00 -0.61 0.00 0.00 39.78 34.71 2r85 n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2r85 s ALA 64 N -3.32 3.09 -0.13 5.41 0.00 -0.71 -1.51 121.76 124.59 2r85 s ALA 64 Ca 0.58 0.52 -0.01 0.00 0.00 0.00 0.00 51.96 53.05 2r85 s ALA 64 Cb -0.27 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 2r85 s ALA 64 CO 0.76 0.04 -0.12 0.08 0.00 0.00 0.00 175.76 176.53 2r85 s VAL 65 N -1.87 3.15 -0.17 0.00 1.01 0.18 -4.29 120.40 118.41 2r85 s VAL 65 Ca 0.58 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.73 2r85 s VAL 65 Cb -0.15 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2r85 s VAL 65 CO 0.20 0.52 0.58 -0.69 0.00 0.00 0.00 175.10 175.71 2r85 s VAL 66 N 0.36 5.07 -0.32 2.92 1.01 0.08 -0.79 120.40 128.74 2r85 s VAL 66 Ca -0.10 1.11 -0.18 0.00 0.00 0.00 0.00 61.98 62.81 2r85 s VAL 66 Cb -0.16 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 2r85 s VAL 66 CO 0.05 0.18 0.51 -0.69 0.00 0.00 0.00 175.10 175.15 2r85 s VAL 67 N 1.49 5.04 0.02 2.92 1.01 -0.06 -0.64 120.40 130.18 2r85 s VAL 67 Ca 0.28 0.54 -0.30 0.00 0.00 0.00 0.00 61.98 62.49 2r85 s VAL 67 Cb -0.16 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 2r85 s VAL 67 CO 0.11 -0.10 1.23 -2.16 0.00 0.00 0.00 175.10 174.19 2r85 s PRO 68 N 2.36 4.38 0.97 2.72 0.04 -1.26 -4.55 135.00 139.66 2r85 s PRO 68 Ca 0.19 1.78 -0.14 0.00 0.04 0.00 0.00 61.00 62.87 2r85 s PRO 68 Cb -0.15 -3.44 0.18 0.00 0.04 0.00 0.00 34.50 31.12 2r85 s PRO 68 CO 0.12 -0.37 1.18 0.95 0.04 0.00 0.00 177.00 178.92 2r85 s THR 69 N 1.62 1.92 -1.82 1.26 -4.23 -1.26 -4.48 115.64 108.66 2r85 s THR 69 Ca 0.59 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 61.31 2r85 s THR 69 Cb -0.28 -2.78 0.54 0.00 1.34 0.00 0.00 72.50 71.32 2r85 s THR 69 CO 0.27 0.00 1.67 0.61 -0.54 0.00 0.00 174.62 176.63 2r85 n GLY 70 N -2.42 -0.77 0.21 3.99 0.00 -1.17 -2.86 105.19 102.16 2r85 n GLY 70 Ca 0.10 -0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.06 2r85 n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2r85 n SER 71 N -1.09 1.50 -0.03 1.61 3.41 -1.26 -4.89 113.62 112.86 2r85 n SER 71 Ca 0.14 -2.64 -0.09 0.00 -0.26 0.00 0.00 58.87 56.02 2r85 n SER 71 Cb 0.10 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.69 2r85 n SER 71 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2r85 h PHE 72 N 0.00 0.09 -0.21 7.33 3.57 -1.90 -2.35 116.94 123.47 2r85 h PHE 72 Ca 0.00 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.39 2r85 h PHE 72 Cb 1.12 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 2r85 h PHE 72 CO 0.03 0.04 -0.38 0.28 -2.23 0.00 0.00 178.31 176.06 2r85 h VAL 73 N 0.13 1.30 -0.80 1.41 2.07 -1.90 -2.16 116.25 116.30 2r85 h VAL 73 Ca 0.08 -1.52 0.07 0.00 0.82 0.00 0.00 66.70 66.15 2r85 h VAL 73 Cb 0.06 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 2r85 h VAL 73 CO -0.09 0.47 0.48 0.00 0.02 0.00 0.00 177.57 178.45 2r85 h ALA 74 N 1.19 1.11 0.00 1.67 0.00 -1.80 0.47 119.26 121.90 2r85 h ALA 74 Ca 0.04 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 2r85 h ALA 74 Cb 0.85 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2r85 h ALA 74 CO 0.07 0.17 -1.06 0.45 0.00 0.00 0.00 179.25 178.89 2r85 h HIS 75 N 0.85 0.00 0.00 0.00 -0.00 -1.30 -3.39 115.15 111.32 2r85 h HIS 75 Ca 0.36 0.00 -0.24 0.00 -0.00 0.00 0.00 60.37 60.49 2r85 h HIS 75 Cb 0.22 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.59 2r85 h HIS 75 CO -0.05 0.71 -1.89 1.28 -0.00 0.00 0.00 177.93 177.98 2r85 n LEU 76 N -3.13 0.28 0.00 2.43 4.32 -0.83 -5.09 117.00 114.99 2r85 n LEU 76 Ca -0.05 -0.01 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 2r85 n LEU 76 Cb 0.86 0.23 0.00 0.00 -1.62 0.00 0.00 43.42 42.89 2r85 n LEU 76 CO 0.43 0.36 0.00 0.61 -1.22 0.00 0.00 177.39 177.58 2r85 n GLY 77 N 2.25 0.25 0.31 -0.72 0.00 0.16 -4.54 105.19 102.90 2r85 n GLY 77 Ca -0.22 -1.46 0.01 0.00 0.00 0.00 0.00 46.02 44.34 2r85 n GLY 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2r85 h ILE 78 N 0.00 1.02 -0.33 -0.61 6.09 -1.96 -2.57 117.51 119.16 2r85 h ILE 78 Ca 0.00 -0.31 -0.01 0.00 -1.37 0.00 0.00 64.86 63.17 2r85 h ILE 78 Cb 0.00 0.03 -0.02 0.00 0.47 0.00 0.00 36.82 37.30 2r85 h ILE 78 CO 0.00 0.17 0.16 -0.33 -3.07 0.00 0.00 178.15 175.08 2r85 h GLU 79 N 0.91 0.47 -0.48 2.19 4.39 -1.97 0.51 114.58 120.61 2r85 h GLU 79 Ca 0.36 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 2r85 h GLU 79 Cb 0.19 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 2r85 h GLU 79 CO -0.18 0.43 0.30 1.25 -1.16 0.00 0.00 179.01 179.65 2r85 h LEU 80 N 0.40 0.57 -0.26 1.33 5.85 -1.75 -1.79 115.31 119.67 2r85 h LEU 80 Ca 0.11 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2r85 h LEU 80 Cb 0.10 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2r85 h LEU 80 CO -0.02 0.45 0.05 0.58 -0.34 0.00 0.00 178.44 179.17 2r85 h VAL 81 N 0.65 1.22 -0.40 1.05 2.07 -1.25 -1.69 116.25 117.90 2r85 h VAL 81 Ca 0.17 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 2r85 h VAL 81 Cb -0.02 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2r85 h VAL 81 CO -0.03 0.24 0.21 -0.33 0.02 0.00 0.00 177.57 177.68 2r85 h GLU 82 N 0.25 0.55 -0.34 1.57 5.08 -0.73 -2.65 114.58 118.31 2r85 h GLU 82 Ca 0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2r85 h GLU 82 Cb 0.31 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2r85 h GLU 82 CO 0.00 0.42 0.00 0.09 -1.00 0.00 0.00 179.01 178.52 2r85 n ASN 83 N -4.42 3.03 -4.77 1.42 4.13 -0.69 -4.98 115.26 108.97 2r85 n ASN 83 Ca 0.03 -1.93 -0.40 0.00 1.68 0.00 0.00 54.58 53.95 2r85 n ASN 83 Cb 0.10 -0.22 -0.00 0.00 -1.54 0.00 0.00 39.78 38.13 2r85 n ASN 83 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2r85 s MET 84 N -1.57 4.03 0.20 3.52 0.23 -0.65 -4.92 119.30 120.14 2r85 s MET 84 Ca 0.37 2.44 0.23 0.00 -1.03 0.00 0.00 55.69 57.70 2r85 s MET 84 Cb 0.21 -2.89 0.07 0.00 -1.53 0.00 0.00 34.83 30.69 2r85 s MET 84 CO 0.30 -0.55 1.11 0.87 -2.03 0.00 0.00 175.02 174.73 2r85 h LYS 85 N 2.86 0.00 -6.56 3.16 1.57 -1.91 -3.46 116.57 112.22 2r85 h LYS 85 Ca -0.50 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.75 2r85 h LYS 85 Cb 1.24 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.56 2r85 h LYS 85 CO 0.63 0.00 0.55 0.08 -0.57 0.00 0.00 179.45 180.15 2r85 s VAL 86 N -3.33 3.85 0.42 0.50 1.01 -1.26 -4.98 120.40 116.62 2r85 s VAL 86 Ca 0.01 1.42 -0.25 0.00 0.00 0.00 0.00 61.98 63.16 2r85 s VAL 86 Cb 0.10 -3.91 -0.10 0.00 0.00 0.00 0.00 36.38 32.47 2r85 s VAL 86 CO 0.77 0.16 1.20 -2.65 0.00 0.00 0.00 175.10 174.59 2r85 n PRO 87 N 3.29 1.76 -4.82 2.72 -0.02 -1.26 -4.81 135.00 131.87 2r85 n PRO 87 Ca 0.07 0.63 -0.31 0.00 -2.02 0.00 0.00 63.50 61.87 2r85 n PRO 87 Cb 0.46 -2.29 -0.17 0.00 -0.02 0.00 0.00 33.50 31.48 2r85 n PRO 87 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2r85 s TYR 88 N -1.22 2.37 -0.46 6.00 5.04 -0.58 -0.74 117.35 127.76 2r85 s TYR 88 Ca 0.62 -1.07 -0.29 0.00 -2.44 0.00 0.00 57.07 53.89 2r85 s TYR 88 Cb -0.52 -1.62 0.03 0.00 0.35 0.00 0.00 41.96 40.19 2r85 s TYR 88 CO 0.57 -0.48 1.11 0.12 -1.34 0.00 0.00 175.55 175.53 2r85 s PHE 89 N 0.66 2.85 0.00 4.97 5.36 0.19 -1.12 117.98 130.89 2r85 s PHE 89 Ca -0.12 0.72 0.00 0.00 -0.96 0.00 0.00 56.93 56.57 2r85 s PHE 89 Cb -0.16 -4.33 0.00 0.00 -0.34 0.00 0.00 43.02 38.18 2r85 s PHE 89 CO 0.03 -1.22 0.00 0.41 -1.46 0.00 0.00 175.22 172.98 2r85 n GLY 90 N 4.78 0.59 3.44 13.12 0.00 -0.98 -4.45 105.19 121.69 2r85 n GLY 90 Ca 0.11 -2.32 -0.41 0.00 0.00 0.00 0.00 46.02 43.40 2r85 n GLY 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2r85 s ASN 91 N -1.04 5.92 0.37 1.61 2.47 -1.26 -3.26 114.94 119.75 2r85 s ASN 91 Ca 0.00 -0.82 0.14 0.00 0.42 0.00 0.00 52.86 52.60 2r85 s ASN 91 Cb 0.00 -2.10 0.97 0.00 -1.45 0.00 0.00 41.25 38.68 2r85 s ASN 91 CO 0.00 -0.37 1.78 0.11 -3.72 0.00 0.00 177.10 174.90 2r85 h LYS 92 N 8.52 0.51 -0.07 0.43 1.57 -1.92 -1.91 116.57 123.70 2r85 h LYS 92 Ca -0.28 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.49 2r85 h LYS 92 Cb 1.12 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 2r85 h LYS 92 CO 0.68 0.34 0.06 0.00 -0.57 0.00 0.00 179.45 179.96 2r85 h ARG 93 N 0.52 0.00 0.00 3.15 3.08 -1.93 -2.02 114.38 117.19 2r85 h ARG 93 Ca 0.57 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.60 2r85 h ARG 93 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 2r85 h ARG 93 CO -0.32 0.00 -0.10 0.28 -1.07 0.00 0.00 179.97 178.76 2r85 h VAL 94 N 0.00 0.75 -0.70 2.04 2.07 -1.62 -3.21 116.25 115.58 2r85 h VAL 94 Ca 0.03 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.23 2r85 h VAL 94 Cb 0.15 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 2r85 h VAL 94 CO -0.00 0.10 0.39 -0.07 0.02 0.00 0.00 177.57 178.01 2r85 h LEU 95 N 0.00 0.58 -0.37 2.57 3.38 -1.55 -0.32 115.31 119.59 2r85 h LEU 95 Ca -0.00 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 2r85 h LEU 95 Cb 0.22 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2r85 h LEU 95 CO 0.01 0.37 -0.41 0.03 0.09 0.00 0.00 178.44 178.53 2r85 h ARG 96 N 0.71 0.93 -0.03 1.13 3.08 -1.78 -2.97 114.38 115.46 2r85 h ARG 96 Ca 0.32 -0.51 -0.07 0.00 0.07 0.00 0.00 59.98 59.79 2r85 h ARG 96 Cb 0.21 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2r85 h ARG 96 CO -0.19 1.16 -0.29 -1.49 -1.07 0.00 0.00 179.97 178.09 2r85 h TRP 97 N 0.75 0.06 0.00 3.04 4.06 -1.38 -1.50 115.95 120.97 2r85 h TRP 97 Ca 0.05 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.99 2r85 h TRP 97 Cb 1.01 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 29.15 2r85 h TRP 97 CO 0.07 0.34 -0.43 1.05 -3.56 0.00 0.00 178.44 175.90 2r85 h GLU 98 N 0.05 0.00 0.00 0.49 4.11 -1.12 -2.55 114.58 115.55 2r85 h GLU 98 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2r85 h GLU 98 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2r85 h GLU 98 CO 0.04 0.00 -0.20 0.43 0.07 0.00 0.00 179.01 179.35 2r85 n SER 99 N -2.58 0.45 -4.64 3.06 7.64 -1.01 -4.80 113.62 111.74 2r85 n SER 99 Ca 0.03 0.16 -0.55 0.00 1.01 0.00 0.00 58.87 59.52 2r85 n SER 99 Cb 0.49 -0.57 -0.07 0.00 -1.01 0.00 0.00 64.21 63.06 2r85 n SER 99 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2r85 n ASP 100 N -2.92 1.87 -0.25 6.43 2.03 -0.60 -4.82 116.55 118.30 2r85 n ASP 100 Ca -0.03 1.10 -0.01 0.00 0.52 0.00 0.00 54.79 56.37 2r85 n ASP 100 Cb 0.10 -1.15 0.10 0.00 -0.72 0.00 0.00 41.12 39.46 2r85 n ASP 100 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2r85 h ARG 101 N 5.63 0.72 -0.35 -0.67 2.43 -1.91 0.19 114.38 120.42 2r85 h ARG 101 Ca -0.47 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 58.51 2r85 h ARG 101 Cb 1.33 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 2r85 h ARG 101 CO 0.86 0.48 -0.34 -0.91 -1.51 0.00 0.00 179.97 178.54 2r85 h ASN 102 N 0.74 0.91 -0.45 -3.80 2.35 -1.96 -1.47 115.58 111.90 2r85 h ASN 102 Ca 0.31 -0.47 -0.09 0.00 -0.55 0.00 0.00 56.30 55.51 2r85 h ASN 102 Cb 0.17 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 2r85 h ASN 102 CO -0.18 1.19 -0.06 -0.07 -1.65 0.00 0.00 177.43 176.66 2r85 h LEU 103 N 0.64 0.84 -0.40 1.61 3.38 -1.79 -1.61 115.31 117.98 2r85 h LEU 103 Ca 0.06 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.69 2r85 h LEU 103 Cb 0.93 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2r85 h LEU 103 CO 0.09 0.98 0.26 -0.08 0.09 0.00 0.00 178.44 179.77 2r85 h GLU 104 N 0.68 0.51 -0.71 1.13 4.81 -0.52 -0.59 114.58 119.89 2r85 h GLU 104 Ca 0.12 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2r85 h GLU 104 Cb 0.59 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 2r85 h GLU 104 CO 0.04 0.34 0.44 -0.09 -0.73 0.00 0.00 179.01 179.00 2r85 h ARG 105 N 0.53 0.95 -0.56 1.92 2.43 -1.18 -1.43 114.38 117.03 2r85 h ARG 105 Ca 0.15 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2r85 h ARG 105 Cb -0.04 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.28 2r85 h ARG 105 CO -0.04 0.66 0.29 -0.22 -1.51 0.00 0.00 179.97 179.15 2r85 h LYS 106 N 0.96 0.80 0.09 0.20 3.64 -0.96 -0.97 116.57 120.33 2r85 h LYS 106 Ca 0.26 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2r85 h LYS 106 Cb -0.06 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 2r85 h LYS 106 CO -0.05 0.63 -0.05 2.35 -2.27 0.00 0.00 179.45 180.06 2r85 h TRP 107 N 0.76 -0.12 -0.01 1.91 2.91 -0.84 -1.08 115.95 119.49 2r85 h TRP 107 Ca 0.20 -0.00 -0.08 0.00 1.13 0.00 0.00 58.89 60.13 2r85 h TRP 107 Cb 0.08 0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 28.75 2r85 h TRP 107 CO -0.01 -0.06 -0.38 -0.07 -1.03 0.00 0.00 178.44 176.89 2r85 h LEU 108 N -0.14 0.02 -0.16 0.65 4.07 -1.16 -1.04 115.31 117.55 2r85 h LEU 108 Ca -0.01 -0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.86 2r85 h LEU 108 Cb 0.11 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 41.84 2r85 h LEU 108 CO 0.02 0.40 -0.19 0.50 -1.08 0.00 0.00 178.44 178.10 2r85 h LYS 109 N 0.02 0.41 -0.65 1.13 3.64 -1.06 -0.41 116.57 119.65 2r85 h LYS 109 Ca -0.00 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.15 2r85 h LYS 109 Cb 0.69 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 2r85 h LYS 109 CO 0.05 0.80 0.39 -0.22 -2.27 0.00 0.00 179.45 178.21 2r85 h LYS 110 N 0.05 0.88 -0.03 1.90 3.64 -0.87 -1.56 116.57 120.59 2r85 h LYS 110 Ca 0.02 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2r85 h LYS 110 Cb 0.74 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2r85 h LYS 110 CO 0.05 0.62 0.00 0.00 -2.27 0.00 0.00 179.45 177.84 2r85 n ALA 111 N -2.44 2.60 -3.73 5.00 0.00 -0.42 -4.91 120.51 116.61 2r85 n ALA 111 Ca 0.06 -0.20 -0.25 0.00 0.00 0.00 0.00 53.44 53.06 2r85 n ALA 111 Cb 0.07 -1.29 0.05 0.00 0.00 0.00 0.00 19.45 18.28 2r85 n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r85 n GLY 112 N 0.88 -0.43 3.71 0.00 0.00 -0.59 -4.61 105.19 104.15 2r85 n GLY 112 Ca 0.16 0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.99 2r85 n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r85 s ILE 113 N -3.42 5.31 0.04 -0.61 -1.09 -0.18 -5.05 121.20 116.20 2r85 s ILE 113 Ca 0.38 0.46 -0.30 0.00 -2.23 0.00 0.00 60.65 58.96 2r85 s ILE 113 Cb -0.18 -3.60 -0.08 0.00 -1.58 0.00 0.00 42.46 37.01 2r85 s ILE 113 CO 0.79 0.37 1.73 -0.60 -1.23 0.00 0.00 174.94 176.00 2r85 s ARG 114 N 0.68 4.18 0.10 2.79 6.06 -1.26 -4.68 118.95 126.82 2r85 s ARG 114 Ca 0.14 2.38 0.02 0.00 -2.50 0.00 0.00 55.73 55.77 2r85 s ARG 114 Cb -0.13 -3.78 -0.04 0.00 0.06 0.00 0.00 34.95 31.05 2r85 s ARG 114 CO 0.04 -0.81 -0.07 0.14 -2.50 0.00 0.00 175.30 172.09 2r85 s VAL 115 N 3.29 0.77 0.26 7.11 -7.23 -1.26 -0.81 120.40 122.51 2r85 s VAL 115 Ca 0.77 -1.90 -0.31 0.00 -1.81 0.00 0.00 61.98 58.73 2r85 s VAL 115 Cb -0.39 -1.64 -0.11 0.00 0.56 0.00 0.00 36.38 34.79 2r85 s VAL 115 CO 0.34 -0.82 1.61 -2.84 -0.31 0.00 0.00 175.10 173.08 2r85 s PRO 116 N -3.66 4.14 0.32 4.82 0.02 -1.26 -4.95 135.00 134.42 2r85 s PRO 116 Ca 0.11 2.54 -0.29 0.00 0.02 0.00 0.00 61.00 63.38 2r85 s PRO 116 Cb 0.04 -3.06 -0.11 0.00 0.02 0.00 0.00 34.50 31.40 2r85 s PRO 116 CO -0.04 -0.64 1.44 -2.00 -0.33 0.00 0.00 177.00 175.43 2r85 s GLU 117 N 0.09 4.22 -0.15 5.54 2.12 -1.26 -4.73 118.70 124.53 2r85 s GLU 117 Ca 0.66 2.40 -0.09 0.00 0.36 0.00 0.00 54.97 58.30 2r85 s GLU 117 Cb -0.47 -3.04 -0.05 0.00 0.26 0.00 0.00 34.13 30.83 2r85 s GLU 117 CO 0.42 -0.42 0.16 0.08 -0.54 0.00 0.00 175.26 174.96 2r85 s VAL 118 N -0.69 5.43 -0.22 3.70 1.01 -1.26 0.03 120.40 128.40 2r85 s VAL 118 Ca 0.55 0.25 -0.07 0.00 0.00 0.00 0.00 61.98 62.71 2r85 s VAL 118 Cb -0.43 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 2r85 s VAL 118 CO 0.53 0.53 0.04 -0.31 0.00 0.00 0.00 175.10 175.89 2r85 s TYR 119 N -0.34 3.10 -0.10 5.22 2.02 -0.13 -4.98 117.35 122.15 2r85 s TYR 119 Ca 0.12 -0.31 0.15 0.00 -0.37 0.00 0.00 57.07 56.66 2r85 s TYR 119 Cb -0.12 -2.15 -0.08 0.00 -0.40 0.00 0.00 41.96 39.21 2r85 s TYR 119 CO 0.02 -0.20 1.08 0.93 -1.57 0.00 0.00 175.55 175.81 2r85 h GLU 120 N 7.62 0.00 -4.69 -0.62 4.39 -1.99 -3.38 114.58 115.92 2r85 h GLU 120 Ca -0.37 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 58.73 2r85 h GLU 120 Cb 1.18 0.00 -0.36 0.00 -0.10 0.00 0.00 28.75 29.47 2r85 h GLU 120 CO 0.61 0.47 -0.83 0.34 -1.16 0.00 0.00 179.01 178.44 2r85 s ASP 121 N -6.16 2.63 0.54 1.42 -1.08 -1.26 -5.01 116.67 107.74 2r85 s ASP 121 Ca -0.00 -0.47 0.22 0.00 -0.52 0.00 0.00 52.55 51.78 2r85 s ASP 121 Cb 0.08 -1.16 1.40 0.00 -1.46 0.00 0.00 42.92 41.78 2r85 s ASP 121 CO 0.79 -0.04 2.08 -0.65 0.52 0.00 0.00 175.17 177.87 2r85 h PRO 122 N 7.89 0.00 0.00 4.34 0.11 -2.00 -0.74 132.00 141.60 2r85 h PRO 122 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2r85 h PRO 122 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2r85 h PRO 122 CO 0.52 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.06 2r85 n ASP 123 N -4.34 0.00 -0.37 -2.05 10.43 -1.26 -2.11 116.55 116.85 2r85 n ASP 123 Ca 0.03 0.32 0.13 0.00 2.57 0.00 0.00 54.79 57.84 2r85 n ASP 123 Cb 0.36 -0.41 0.36 0.00 1.84 0.00 0.00 41.12 43.26 2r85 n ASP 123 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 2r85 n ASP 124 N -1.41 1.36 -4.68 -2.24 8.00 -0.28 -4.87 116.55 112.44 2r85 n ASP 124 Ca 0.05 -1.17 -0.42 0.00 0.71 0.00 0.00 54.79 53.96 2r85 n ASP 124 Cb 0.15 0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.36 2r85 n ASP 124 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2r85 s ILE 125 N -2.35 3.02 0.00 0.53 1.01 -0.90 -4.84 121.20 117.67 2r85 s ILE 125 Ca 0.27 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.24 2r85 s ILE 125 Cb 0.20 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.46 2r85 s ILE 125 CO 0.47 -0.01 0.15 -1.84 0.00 0.00 0.00 174.94 173.70 2r85 n GLU 126 N 6.37 1.77 -3.93 2.79 0.00 -1.26 -4.14 120.64 122.23 2r85 n GLU 126 Ca 0.17 -0.15 -0.08 0.00 0.00 0.00 0.00 57.16 57.10 2r85 n GLU 126 Cb 0.41 -0.54 -0.08 0.00 0.00 0.00 0.00 31.44 31.22 2r85 n GLU 126 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 2r85 s LYS 127 N -0.29 0.82 0.25 3.44 -2.85 -1.26 -5.03 119.74 114.82 2r85 s LYS 127 Ca 0.00 -1.06 -0.30 0.00 -1.00 0.00 0.00 55.97 53.61 2r85 s LYS 127 Cb 0.00 0.31 -0.14 0.00 -2.06 0.00 0.00 37.83 35.94 2r85 s LYS 127 CO 0.00 -0.25 1.25 -2.30 0.10 0.00 0.00 175.35 174.15 2r85 n PRO 128 N -0.04 1.70 -4.35 1.78 -0.02 -1.26 -4.78 135.00 128.03 2r85 n PRO 128 Ca -0.14 0.60 -0.22 0.00 -2.02 0.00 0.00 63.50 61.73 2r85 n PRO 128 Cb 0.62 -2.15 -0.11 0.00 -0.02 0.00 0.00 33.50 31.84 2r85 n PRO 128 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2r85 s VAL 129 N -0.44 1.89 -0.18 -1.45 -7.23 0.03 -1.92 120.40 111.11 2r85 s VAL 129 Ca 0.66 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.74 2r85 s VAL 129 Cb -0.70 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 2r85 s VAL 129 CO 0.54 -0.35 0.12 -0.51 -0.31 0.00 0.00 175.10 174.59 2r85 s ILE 130 N -2.18 5.28 -0.20 -0.62 2.07 0.60 -1.02 121.20 125.13 2r85 s ILE 130 Ca 0.18 0.14 -0.06 0.00 -1.41 0.00 0.00 60.65 59.50 2r85 s ILE 130 Cb -0.05 -3.38 -0.03 0.00 0.13 0.00 0.00 42.46 39.13 2r85 s ILE 130 CO 0.07 0.48 0.04 -0.69 -1.91 0.00 0.00 174.94 172.93 2r85 s VAL 131 N 0.08 4.37 -0.49 4.00 1.01 0.10 -1.52 120.40 127.94 2r85 s VAL 131 Ca 0.08 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2r85 s VAL 131 Cb -0.11 -2.98 0.13 0.00 0.00 0.00 0.00 36.38 33.42 2r85 s VAL 131 CO -0.00 0.43 0.25 -0.54 0.00 0.00 0.00 175.10 175.24 2r85 s LYS 132 N 0.78 2.02 0.39 2.72 1.02 0.50 -2.25 119.74 124.92 2r85 s LYS 132 Ca 0.02 -2.32 -0.25 0.00 0.02 0.00 0.00 55.97 53.44 2r85 s LYS 132 Cb -0.14 -3.44 -0.09 0.00 -0.52 0.00 0.00 37.83 33.64 2r85 s LYS 132 CO 0.02 -1.08 1.11 -2.14 -0.92 0.00 0.00 175.35 172.33 2r85 s PRO 133 N 0.24 4.16 -0.39 -1.68 0.02 -1.26 -1.48 135.00 134.61 2r85 s PRO 133 Ca 0.14 1.69 -0.06 0.00 0.02 0.00 0.00 61.00 62.79 2r85 s PRO 133 Cb -0.22 -2.67 0.08 0.00 0.02 0.00 0.00 34.50 31.70 2r85 s PRO 133 CO -0.03 -0.18 0.19 -1.01 -0.33 0.00 0.00 177.00 175.63 2r85 s HIS 134 N -1.49 3.38 0.00 6.54 3.76 -0.31 -4.82 115.29 122.35 2r85 s HIS 134 Ca 0.56 -1.80 0.00 0.00 -0.15 0.00 0.00 55.06 53.67 2r85 s HIS 134 Cb -0.27 -2.82 0.00 0.00 1.11 0.00 0.00 32.58 30.61 2r85 s HIS 134 CO 0.34 -0.86 0.15 0.41 -0.85 0.00 0.00 174.74 173.93 2r85 n GLY 139 N 4.78 0.00 3.61 -2.22 0.00 -1.26 -4.94 105.19 105.16 2r85 n GLY 139 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 2r85 n GLY 139 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2r85 s LYS 140 N -0.80 3.41 -1.00 1.61 2.47 -1.26 -2.53 119.74 121.65 2r85 s LYS 140 Ca 0.00 2.01 0.00 0.00 -1.56 0.00 0.00 55.97 56.42 2r85 s LYS 140 Cb 0.00 -4.28 0.00 0.00 -1.46 0.00 0.00 37.83 32.09 2r85 s LYS 140 CO 0.00 -1.78 0.00 0.41 0.16 0.00 0.00 175.35 174.14 2r85 n GLY 141 N 5.38 1.08 3.77 5.54 0.00 -1.26 -4.43 105.19 115.26 2r85 n GLY 141 Ca 0.26 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 2r85 n GLY 141 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2r85 s TYR 142 N -2.36 2.91 0.11 1.61 1.51 -1.05 -4.61 117.35 115.47 2r85 s TYR 142 Ca 0.00 1.29 -0.08 0.00 -1.01 0.00 0.00 57.07 57.27 2r85 s TYR 142 Cb 0.00 -3.80 -0.01 0.00 -0.11 0.00 0.00 41.96 38.04 2r85 s TYR 142 CO 0.00 -2.30 0.19 -0.59 -1.11 0.00 0.00 175.55 171.75 2r85 s PHE 143 N -1.00 0.26 0.13 2.71 -0.71 -0.96 -4.99 117.98 113.43 2r85 s PHE 143 Ca 0.51 -0.68 -0.05 0.00 -1.04 0.00 0.00 56.93 55.68 2r85 s PHE 143 Cb -0.42 -0.09 -0.05 0.00 -1.21 0.00 0.00 43.02 41.24 2r85 s PHE 143 CO 0.55 -0.58 0.37 -0.51 -1.34 0.00 0.00 175.22 173.71 2r85 s LEU 144 N -2.90 4.27 0.00 -1.99 1.43 -1.26 0.02 118.68 118.26 2r85 s LEU 144 Ca 0.09 0.58 0.03 0.00 -1.03 0.00 0.00 54.13 53.80 2r85 s LEU 144 Cb 0.05 -3.28 -0.01 0.00 0.03 0.00 0.00 46.19 42.98 2r85 s LEU 144 CO -0.08 0.06 -0.11 0.00 0.23 0.00 0.00 176.35 176.46 2r85 s ALA 145 N -1.64 0.90 -0.05 4.21 0.00 -0.19 -4.93 121.76 120.06 2r85 s ALA 145 Ca 0.40 -0.54 0.06 0.00 0.00 0.00 0.00 51.96 51.88 2r85 s ALA 145 Cb -0.12 -0.19 -0.24 0.00 0.00 0.00 0.00 23.12 22.56 2r85 s ALA 145 CO 0.24 0.20 0.66 0.87 0.00 0.00 0.00 175.76 177.73 2r85 h LYS 146 N 5.61 0.09 -2.66 0.00 1.57 -1.89 0.13 116.57 119.43 2r85 h LYS 146 Ca -0.33 -0.15 0.11 0.00 -1.87 0.00 0.00 60.65 58.40 2r85 h LYS 146 Cb 1.18 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.51 2r85 h LYS 146 CO 0.48 0.76 0.45 0.16 -0.57 0.00 0.00 179.45 180.73 2r85 s ASP 147 N -6.45 -0.05 0.21 0.86 3.84 -1.26 -4.14 116.67 109.68 2r85 s ASP 147 Ca -0.09 -0.75 -0.08 0.00 -0.00 0.00 0.00 52.55 51.63 2r85 s ASP 147 Cb 0.08 0.62 0.28 0.00 -1.38 0.00 0.00 42.92 42.51 2r85 s ASP 147 CO 0.82 -1.20 1.78 -0.65 -0.00 0.00 0.00 175.17 175.92 2r85 h PRO 148 N 2.00 0.57 -0.41 2.11 0.11 -1.75 0.06 132.00 134.69 2r85 h PRO 148 Ca -0.27 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 2r85 h PRO 148 Cb 1.23 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2r85 h PRO 148 CO 0.34 0.38 0.21 0.93 -0.21 0.00 0.00 178.00 179.65 2r85 h GLU 149 N 0.59 0.59 -0.64 1.05 3.07 -1.96 -0.85 114.58 116.42 2r85 h GLU 149 Ca 0.32 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 59.08 2r85 h GLU 149 Cb 0.30 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.07 2r85 h GLU 149 CO -0.24 0.49 0.31 0.22 -1.40 0.00 0.00 179.01 178.39 2r85 h ASP 150 N 0.53 0.83 0.00 1.42 -0.00 -1.90 -2.05 116.42 115.26 2r85 h ASP 150 Ca 0.14 -0.13 0.01 0.00 -0.00 0.00 0.00 57.03 57.06 2r85 h ASP 150 Cb 0.09 -0.21 -0.02 0.00 -0.00 0.00 0.00 39.33 39.18 2r85 h ASP 150 CO -0.02 0.73 -0.07 0.15 -0.00 0.00 0.00 179.24 180.02 2r85 h PHE 151 N 0.88 -0.19 -0.38 0.28 3.57 -0.53 -1.91 116.94 118.66 2r85 h PHE 151 Ca 0.22 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.63 2r85 h PHE 151 Cb 0.11 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2r85 h PHE 151 CO 0.00 -0.12 -0.15 -1.49 -2.23 0.00 0.00 178.31 174.32 2r85 h TRP 152 N -0.13 0.77 -0.62 0.41 4.06 -1.04 0.29 115.95 119.69 2r85 h TRP 152 Ca 0.03 -0.15 0.03 0.00 2.06 0.00 0.00 58.89 60.86 2r85 h TRP 152 Cb 0.17 -0.20 -0.04 0.00 -1.00 0.00 0.00 29.16 28.09 2r85 h TRP 152 CO -0.14 0.81 0.38 0.00 -3.56 0.00 0.00 178.44 175.93 2r85 h ARG 153 N 0.63 0.72 -0.07 0.49 3.08 -1.28 -1.41 114.38 116.54 2r85 h ARG 153 Ca 0.10 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 59.92 2r85 h ARG 153 Cb 0.62 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 2r85 h ARG 153 CO 0.04 0.48 -0.75 0.87 -1.07 0.00 0.00 179.97 179.54 2r85 h LYS 154 N 0.74 0.39 -0.65 0.04 1.57 -0.82 -1.56 116.57 116.27 2r85 h LYS 154 Ca 0.25 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2r85 h LYS 154 Cb 0.02 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 2r85 h LYS 154 CO -0.10 0.97 0.36 0.00 -0.57 0.00 0.00 179.45 180.11 2r85 h ALA 155 N 0.93 1.40 0.10 3.86 0.00 -0.23 0.22 119.26 125.54 2r85 h ALA 155 Ca -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2r85 h ALA 155 Cb 1.33 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2r85 h ALA 155 CO 0.13 0.49 -0.05 1.49 0.00 0.00 0.00 179.25 181.31 2r85 h GLU 156 N 0.91 -0.14 -0.22 0.00 4.81 -1.09 -1.25 114.58 117.61 2r85 h GLU 156 Ca 0.23 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 2r85 h GLU 156 Cb 0.02 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2r85 h GLU 156 CO -0.04 0.25 0.02 -0.22 -0.73 0.00 0.00 179.01 178.29 2r85 h LYS 157 N -0.56 0.38 0.00 1.92 3.64 -1.07 -1.83 116.57 119.05 2r85 h LYS 157 Ca -0.01 -0.11 -0.30 0.00 -1.27 0.00 0.00 60.65 58.95 2r85 h LYS 157 Cb 0.45 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.18 2r85 h LYS 157 CO 0.02 0.55 -1.77 1.19 -2.27 0.00 0.00 179.45 177.17 2r85 n PHE 158 N -4.69 0.92 0.12 1.91 3.72 0.76 -4.53 117.46 115.67 2r85 n PHE 158 Ca -0.04 0.33 0.01 0.00 -0.05 0.00 0.00 57.45 57.71 2r85 n PHE 158 Cb 0.22 -1.17 0.00 0.00 -0.94 0.00 0.00 39.48 37.59 2r85 n PHE 158 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2r85 n LEU 159 N -3.03 0.80 -0.27 4.37 4.77 -0.55 -5.01 117.00 118.08 2r85 n LEU 159 Ca -0.18 -0.80 -0.04 0.00 -0.03 0.00 0.00 56.01 54.96 2r85 n LEU 159 Cb 1.06 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.14 2r85 n LEU 159 CO 0.45 0.18 -0.03 0.61 -1.33 0.00 0.00 177.39 177.27 2r85 n GLY 160 N 0.51 0.65 3.64 -0.72 0.00 -0.69 -4.95 105.19 103.64 2r85 n GLY 160 Ca 0.01 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 2r85 n GLY 160 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r85 s ILE 161 N -2.04 4.58 -0.46 -0.61 -1.09 -0.72 -4.88 121.20 115.98 2r85 s ILE 161 Ca 0.00 1.69 0.06 0.00 -2.23 0.00 0.00 60.65 60.17 2r85 s ILE 161 Cb 0.00 -4.36 -0.03 0.00 -1.58 0.00 0.00 42.46 36.50 2r85 s ILE 161 CO 0.00 -0.40 0.40 0.29 -1.23 0.00 0.00 174.94 174.00 2r85 n LYS 162 N 6.68 3.40 -3.89 2.79 5.02 -1.26 -3.35 118.16 127.55 2r85 n LYS 162 Ca 0.11 -0.29 -0.11 0.00 -2.02 0.00 0.00 58.31 55.99 2r85 n LYS 162 Cb 0.47 -0.89 -0.13 0.00 -0.02 0.00 0.00 35.03 34.46 2r85 n LYS 162 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2r85 s ARG 163 N -1.23 0.13 0.36 1.97 0.52 -1.26 -5.06 118.95 114.38 2r85 s ARG 163 Ca 0.04 -0.16 0.05 0.00 -0.52 0.00 0.00 55.73 55.13 2r85 s ARG 163 Cb 0.05 0.05 0.68 0.00 0.52 0.00 0.00 34.95 36.25 2r85 s ARG 163 CO 0.19 -0.02 1.95 0.87 0.02 0.00 0.00 175.30 178.31 2r85 h LYS 164 N 5.61 0.58 0.00 3.54 1.57 -2.00 -1.58 116.57 124.29 2r85 h LYS 164 Ca -0.27 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2r85 h LYS 164 Cb 1.21 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2r85 h LYS 164 CO 0.47 0.50 0.00 1.05 -0.57 0.00 0.00 179.45 180.89 2r85 h GLU 165 N 0.57 0.00 -0.00 3.15 9.09 -2.03 -2.91 114.58 122.45 2r85 h GLU 165 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.55 2r85 h GLU 165 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 2r85 h GLU 165 CO -0.01 0.00 -0.35 -0.25 0.05 0.00 0.00 179.01 178.45 2r85 n ASP 166 N -2.30 0.38 -4.70 3.06 8.00 -0.60 -4.87 116.55 115.53 2r85 n ASP 166 Ca 0.01 -0.08 -0.42 0.00 0.71 0.00 0.00 54.79 55.01 2r85 n ASP 166 Cb 0.18 0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 2r85 n ASP 166 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2r85 s LEU 167 N -2.97 4.34 0.20 0.64 2.96 -1.10 -5.00 118.68 117.74 2r85 s LEU 167 Ca 0.13 2.23 -0.15 0.00 -0.22 0.00 0.00 54.13 56.11 2r85 s LEU 167 Cb 0.18 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.31 2r85 s LEU 167 CO 0.64 -0.71 0.47 -1.59 -1.32 0.00 0.00 176.35 173.84 2r85 s LYS 168 N 1.95 1.38 -1.34 1.98 -2.85 -1.26 -5.01 119.74 114.60 2r85 s LYS 168 Ca 0.65 -1.02 -0.04 0.00 -1.00 0.00 0.00 55.97 54.56 2r85 s LYS 168 Cb -0.34 0.48 0.02 0.00 -2.06 0.00 0.00 37.83 35.93 2r85 s LYS 168 CO 0.28 -0.57 0.91 0.09 0.10 0.00 0.00 175.35 176.17 2r85 n ASN 169 N -0.33 -2.99 -4.02 0.03 3.02 -1.26 -4.90 115.26 104.81 2r85 n ASN 169 Ca -0.07 -0.72 -0.11 0.00 -0.03 0.00 0.00 54.58 53.65 2r85 n ASN 169 Cb 0.62 -4.44 -0.11 0.00 -0.61 0.00 0.00 39.78 35.24 2r85 n ASN 169 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2r85 s ILE 170 N -3.46 0.29 -0.05 2.41 -4.36 -1.26 -1.16 121.20 113.60 2r85 s ILE 170 Ca 0.24 -1.02 0.02 0.00 -0.26 0.00 0.00 60.65 59.63 2r85 s ILE 170 Cb -0.11 -0.45 -0.03 0.00 1.25 0.00 0.00 42.46 43.12 2r85 s ILE 170 CO 0.78 -0.47 -0.09 -1.10 0.24 0.00 0.00 174.94 174.30 2r85 s GLN 171 N -1.61 2.63 -0.13 0.37 -0.21 -0.55 -4.97 119.66 115.20 2r85 s GLN 171 Ca -0.13 -0.63 0.01 0.00 0.02 0.00 0.00 55.36 54.64 2r85 s GLN 171 Cb -0.09 -2.50 0.02 0.00 1.00 0.00 0.00 33.01 31.43 2r85 s GLN 171 CO -0.01 0.64 -0.14 0.42 -2.12 0.00 0.00 175.29 174.08 2r85 s ILE 172 N -0.81 1.48 0.07 1.08 1.01 -1.26 -0.37 121.20 122.40 2r85 s ILE 172 Ca 0.13 -0.60 0.05 0.00 0.00 0.00 0.00 60.65 60.22 2r85 s ILE 172 Cb -0.11 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 2r85 s ILE 172 CO 0.02 0.44 -0.13 -1.10 0.00 0.00 0.00 174.94 174.17 2r85 s GLN 173 N 1.28 0.79 0.08 2.79 -0.21 -0.58 -0.95 119.66 122.86 2r85 s GLN 173 Ca -0.00 -0.95 -0.36 0.00 0.02 0.00 0.00 55.36 54.07 2r85 s GLN 173 Cb -0.14 -0.74 -0.15 0.00 1.00 0.00 0.00 33.01 32.98 2r85 s GLN 173 CO -0.06 0.16 1.48 -1.91 -2.12 0.00 0.00 175.29 172.83 2r85 n GLU 174 N 1.23 1.54 -2.83 2.91 2.13 0.10 -0.29 120.64 125.43 2r85 n GLU 174 Ca -0.21 0.56 -0.42 0.00 0.66 0.00 0.00 57.16 57.75 2r85 n GLU 174 Cb 0.54 -2.25 -0.04 0.00 0.27 0.00 0.00 31.44 29.96 2r85 n GLU 174 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2r85 s TYR 175 N 1.03 3.46 -0.22 4.31 5.04 -0.81 -4.62 117.35 125.54 2r85 s TYR 175 Ca 0.84 1.37 0.01 0.00 -2.44 0.00 0.00 57.07 56.85 2r85 s TYR 175 Cb -0.86 -3.06 0.05 0.00 0.35 0.00 0.00 41.96 38.44 2r85 s TYR 175 CO 0.45 -0.22 -0.11 0.08 -1.34 0.00 0.00 175.55 174.41 2r85 s VAL 176 N 2.05 1.81 -0.26 3.14 1.01 -1.26 -4.89 120.40 121.99 2r85 s VAL 176 Ca 0.42 -1.19 -0.17 0.00 0.00 0.00 0.00 61.98 61.04 2r85 s VAL 176 Cb -0.17 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 2r85 s VAL 176 CO 0.14 0.13 0.48 -0.22 0.00 0.00 0.00 175.10 175.62 2r85 s LEU 177 N 1.31 4.05 0.20 3.92 2.96 -1.26 -5.03 118.68 124.83 2r85 s LEU 177 Ca -0.03 0.46 -0.23 0.00 -0.22 0.00 0.00 54.13 54.11 2r85 s LEU 177 Cb -0.17 -2.60 0.07 0.00 0.50 0.00 0.00 46.19 43.99 2r85 s LEU 177 CO -0.08 -0.26 0.98 -0.83 -1.32 0.00 0.00 176.35 174.85 2r85 s GLY 178 N 1.57 0.01 0.01 7.98 0.00 -1.26 -4.49 107.32 111.14 2r85 s GLY 178 Ca 0.19 -0.21 -0.22 0.00 0.00 0.00 0.00 44.72 44.49 2r85 s GLY 178 CO 0.09 1.17 0.65 -1.34 0.00 0.00 0.00 173.10 173.67 2r85 s VAL 179 N -2.62 4.84 0.23 1.40 -7.23 -0.66 -4.69 120.40 111.67 2r85 s VAL 179 Ca 0.17 1.36 -0.31 0.00 -1.81 0.00 0.00 61.98 61.39 2r85 s VAL 179 Cb -0.02 -3.99 -0.12 0.00 0.56 0.00 0.00 36.38 32.81 2r85 s VAL 179 CO 0.05 0.41 1.69 -2.84 -0.31 0.00 0.00 175.10 174.10 2r85 s PRO 180 N -0.19 4.12 0.02 4.82 0.02 -1.26 -1.12 135.00 141.41 2r85 s PRO 180 Ca 0.33 2.60 0.01 0.00 0.02 0.00 0.00 61.00 63.96 2r85 s PRO 180 Cb -0.19 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.26 2r85 s PRO 180 CO 0.19 -0.73 -0.04 0.14 -0.33 0.00 0.00 177.00 176.23 2r85 s VAL 181 N 0.89 0.26 -0.40 3.83 -7.23 -0.37 -4.79 120.40 112.59 2r85 s VAL 181 Ca 0.72 -0.65 0.02 0.00 -1.81 0.00 0.00 61.98 60.26 2r85 s VAL 181 Cb -0.49 -0.32 0.15 0.00 0.56 0.00 0.00 36.38 36.28 2r85 s VAL 181 CO 0.36 -0.26 0.27 -0.31 -0.31 0.00 0.00 175.10 174.85 2r85 s TYR 182 N -0.91 1.10 0.20 2.82 1.51 -0.69 -2.41 117.35 118.98 2r85 s TYR 182 Ca -0.08 -2.02 -0.30 0.00 -1.01 0.00 0.00 57.07 53.66 2r85 s TYR 182 Cb -0.07 -1.10 -0.08 0.00 -0.11 0.00 0.00 41.96 40.60 2r85 s TYR 182 CO -0.00 -0.81 1.19 -2.14 -1.11 0.00 0.00 175.55 172.67 2r85 s PRO 183 N 0.55 4.50 -0.22 -1.71 0.02 -1.25 -1.94 135.00 134.95 2r85 s PRO 183 Ca 0.23 1.87 -0.06 0.00 0.02 0.00 0.00 61.00 63.06 2r85 s PRO 183 Cb -0.13 -3.23 -0.03 0.00 0.02 0.00 0.00 34.50 31.13 2r85 s PRO 183 CO -0.07 -0.06 0.03 -1.01 -0.33 0.00 0.00 177.00 175.56 2r85 s HIS 184 N -0.17 3.07 0.32 6.54 3.76 0.50 -3.18 115.29 126.13 2r85 s HIS 184 Ca 0.52 -0.42 0.09 0.00 -0.15 0.00 0.00 55.06 55.10 2r85 s HIS 184 Cb -0.33 -2.15 -0.04 0.00 1.11 0.00 0.00 32.58 31.17 2r85 s HIS 184 CO 0.37 -0.27 0.09 0.71 -0.85 0.00 0.00 174.74 174.80 2r85 s TYR 185 N 1.23 2.70 -0.06 1.40 1.51 0.36 -0.16 117.35 124.32 2r85 s TYR 185 Ca 0.04 -0.34 -0.02 0.00 -1.01 0.00 0.00 57.07 55.74 2r85 s TYR 185 Cb -0.15 -1.50 0.04 0.00 -0.11 0.00 0.00 41.96 40.24 2r85 s TYR 185 CO 0.02 0.43 0.10 0.12 -1.11 0.00 0.00 175.55 175.12 2r85 s PHE 186 N -2.40 -0.07 -0.28 2.71 5.36 -0.33 -2.08 117.98 120.88 2r85 s PHE 186 Ca 0.36 0.40 -0.10 0.00 -0.96 0.00 0.00 56.93 56.62 2r85 s PHE 186 Cb -0.03 -0.29 -0.03 0.00 -0.34 0.00 0.00 43.02 42.33 2r85 s PHE 186 CO 0.22 -0.19 0.15 -0.47 -1.46 0.00 0.00 175.22 173.47 2r85 s TYR 187 N 1.82 3.17 -0.34 10.12 5.04 -0.46 -0.63 117.35 136.08 2r85 s TYR 187 Ca -0.01 -0.18 -0.24 0.00 -2.44 0.00 0.00 57.07 54.20 2r85 s TYR 187 Cb -0.12 -2.34 0.01 0.00 0.35 0.00 0.00 41.96 39.85 2r85 s TYR 187 CO -0.04 -0.29 0.83 0.45 -1.34 0.00 0.00 175.55 175.16 2r85 s SER 188 N 1.69 6.64 0.21 4.32 0.15 0.40 -0.22 113.70 126.89 2r85 s SER 188 Ca 0.06 0.57 -0.00 0.00 0.70 0.00 0.00 55.95 57.28 2r85 s SER 188 Cb -0.16 -2.42 0.17 0.00 -1.71 0.00 0.00 66.02 61.89 2r85 s SER 188 CO 0.08 -0.72 1.52 0.50 1.20 0.00 0.00 173.24 175.83 2r85 h LYS 189 N 8.31 0.43 -0.37 5.44 3.64 -1.93 0.11 116.57 132.18 2r85 h LYS 189 Ca -0.24 -0.28 0.01 0.00 -1.27 0.00 0.00 60.65 58.87 2r85 h LYS 189 Cb 1.09 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 2r85 h LYS 189 CO 0.92 0.88 0.24 0.28 -2.27 0.00 0.00 179.45 179.50 2r85 h VAL 190 N 0.32 1.08 -0.01 2.00 2.07 -1.93 -3.13 116.25 116.65 2r85 h VAL 190 Ca 0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2r85 h VAL 190 Cb 1.10 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2r85 h VAL 190 CO 0.10 0.09 -0.50 0.54 0.02 0.00 0.00 177.57 177.82 2r85 n ARG 191 N -4.84 0.99 -3.77 1.57 1.74 -1.22 -4.99 116.66 106.14 2r85 n ARG 191 Ca 0.00 -0.78 -0.24 0.00 -0.77 0.00 0.00 57.85 56.06 2r85 n ARG 191 Cb 0.03 -1.48 0.03 0.00 -1.02 0.00 0.00 32.46 30.02 2r85 n ARG 191 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2r85 n GLU 192 N -0.33 -5.12 -3.88 5.56 1.02 0.33 -5.00 120.64 113.24 2r85 n GLU 192 Ca 0.09 0.61 -0.10 0.00 -0.02 0.00 0.00 57.16 57.74 2r85 n GLU 192 Cb 0.43 -5.27 -0.09 0.00 -0.02 0.00 0.00 31.44 26.49 2r85 n GLU 192 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2r85 s GLU 193 N -6.19 0.61 -0.09 3.49 2.02 -0.95 -5.00 118.70 112.59 2r85 s GLU 193 Ca 0.21 -0.61 -0.02 0.00 0.02 0.00 0.00 54.97 54.57 2r85 s GLU 193 Cb -0.10 0.25 -0.03 0.00 0.10 0.00 0.00 34.13 34.34 2r85 s GLU 193 CO 0.82 -0.16 0.00 -1.17 0.02 0.00 0.00 175.26 174.77 2r85 s LEU 194 N -1.93 3.58 0.07 1.80 2.96 -1.26 -0.45 118.68 123.45 2r85 s LEU 194 Ca -0.07 0.14 0.08 0.00 -0.22 0.00 0.00 54.13 54.06 2r85 s LEU 194 Cb -0.03 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 2r85 s LEU 194 CO -0.03 0.38 -0.22 -1.61 -1.32 0.00 0.00 176.35 173.55 2r85 s GLU 195 N -0.86 1.31 -0.26 1.98 2.02 0.20 -5.00 118.70 118.08 2r85 s GLU 195 Ca 0.13 -1.07 -0.18 0.00 0.02 0.00 0.00 54.97 53.87 2r85 s GLU 195 Cb -0.11 -1.52 -0.03 0.00 0.10 0.00 0.00 34.13 32.57 2r85 s GLU 195 CO 0.02 0.37 0.51 -1.17 0.02 0.00 0.00 175.26 175.02 2r85 s LEU 196 N -1.53 4.06 -0.08 1.80 2.96 -1.26 -1.19 118.68 123.43 2r85 s LEU 196 Ca 0.08 0.50 0.02 0.00 -0.22 0.00 0.00 54.13 54.51 2r85 s LEU 196 Cb -0.09 -2.66 -0.25 0.00 0.50 0.00 0.00 46.19 43.69 2r85 s LEU 196 CO 0.03 -0.29 0.51 0.23 -1.32 0.00 0.00 176.35 175.51 2r85 n MET 197 N 5.55 0.70 0.00 1.98 2.81 0.77 -4.61 117.12 124.31 2r85 n MET 197 Ca -0.04 0.28 0.00 0.00 -1.81 0.00 0.00 57.70 56.13 2r85 n MET 197 Cb 0.50 -1.75 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 2r85 n MET 197 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2r85 n SER 198 N -3.28 0.00 -3.81 7.83 3.41 -1.20 -4.10 113.62 112.47 2r85 n SER 198 Ca -0.25 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.24 2r85 n SER 198 Cb 1.05 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.89 2r85 n SER 198 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2r85 s ILE 199 N -2.00 0.02 0.25 -1.33 1.01 -1.26 -0.37 121.20 117.52 2r85 s ILE 199 Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.52 2r85 s ILE 199 Cb 0.00 -0.34 -0.04 0.00 0.01 0.00 0.00 42.46 42.09 2r85 s ILE 199 CO 0.00 -0.08 0.15 1.51 0.00 0.00 0.00 174.94 176.52 2r85 s ASP 200 N -0.23 0.77 -0.31 3.58 -4.77 -0.82 -2.59 116.67 112.30 2r85 s ASP 200 Ca -0.03 -1.48 0.03 0.00 -3.30 0.00 0.00 52.55 47.77 2r85 s ASP 200 Cb -0.03 0.38 0.08 0.00 -1.09 0.00 0.00 42.92 42.26 2r85 s ASP 200 CO 0.01 -0.87 -0.01 -0.60 0.70 0.00 0.00 175.17 174.40 2r85 s ARG 201 N -3.97 1.85 0.56 2.11 6.06 0.72 -1.70 118.95 124.58 2r85 s ARG 201 Ca 0.39 -1.64 -0.19 0.00 -2.50 0.00 0.00 55.73 51.78 2r85 s ARG 201 Cb 0.06 -3.11 -0.07 0.00 0.06 0.00 0.00 34.95 31.89 2r85 s ARG 201 CO 0.16 -0.79 0.82 0.54 -2.50 0.00 0.00 175.30 173.53 2r85 n ARG 202 N 4.36 0.83 -4.01 5.12 1.74 -1.26 -1.51 116.66 121.93 2r85 n ARG 202 Ca -0.04 0.32 -0.34 0.00 -0.77 0.00 0.00 57.85 57.02 2r85 n ARG 202 Cb 0.42 -1.99 -0.15 0.00 -1.02 0.00 0.00 32.46 29.72 2r85 n ARG 202 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2r85 s TYR 203 N -1.54 2.95 0.03 -1.55 5.04 0.14 -4.81 117.35 117.61 2r85 s TYR 203 Ca 0.71 -1.50 0.06 0.00 -2.44 0.00 0.00 57.07 53.90 2r85 s TYR 203 Cb -0.45 -2.01 -0.02 0.00 0.35 0.00 0.00 41.96 39.83 2r85 s TYR 203 CO 0.51 -0.73 -0.16 -1.21 -1.34 0.00 0.00 175.55 172.62 2r85 s GLU 204 N 1.33 1.15 -0.03 4.97 2.02 -1.26 -0.76 118.70 126.12 2r85 s GLU 204 Ca 0.03 -0.76 0.06 0.00 0.02 0.00 0.00 54.97 54.31 2r85 s GLU 204 Cb -0.15 -1.17 -0.01 0.00 0.10 0.00 0.00 34.13 32.90 2r85 s GLU 204 CO -0.07 0.30 -0.20 0.45 0.02 0.00 0.00 175.26 175.76 2r85 s SER 205 N -0.95 2.43 0.00 -0.19 0.15 0.42 -0.94 113.70 114.61 2r85 s SER 205 Ca 0.04 -0.39 0.25 0.00 0.70 0.00 0.00 55.95 56.56 2r85 s SER 205 Cb -0.08 -0.47 0.94 0.00 -1.71 0.00 0.00 66.02 64.70 2r85 s SER 205 CO 0.01 0.22 1.67 -0.46 1.20 0.00 0.00 173.24 175.88 2r85 n ASN 206 N 2.83 1.56 -0.35 5.45 0.23 -0.84 -0.86 115.26 123.27 2r85 n ASN 206 Ca -0.17 -1.58 0.06 0.00 -0.53 0.00 0.00 54.58 52.37 2r85 n ASN 206 Cb 0.53 -0.04 0.23 0.00 -2.08 0.00 0.00 39.78 38.41 2r85 n ASN 206 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 2r85 h VAL 207 N 2.30 0.92 -0.00 3.53 3.04 -1.30 0.24 116.25 124.98 2r85 h VAL 207 Ca 0.00 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 2r85 h VAL 207 Cb 0.49 -0.14 0.00 0.00 -2.01 0.00 0.00 31.29 29.64 2r85 h VAL 207 CO 0.00 0.18 -0.01 0.47 -1.01 0.00 0.00 177.57 177.20 2r85 n ASP 208 N -4.63 0.14 0.03 3.17 8.00 -0.12 -3.12 116.55 120.02 2r85 n ASP 208 Ca 0.18 -0.77 0.09 0.00 0.71 0.00 0.00 54.79 55.00 2r85 n ASP 208 Cb 0.34 -0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.26 2r85 n ASP 208 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2r85 n ALA 209 N -0.99 2.57 0.19 2.24 0.00 0.05 -4.52 120.51 120.05 2r85 n ALA 209 Ca 0.20 -0.46 0.06 0.00 0.00 0.00 0.00 53.44 53.24 2r85 n ALA 209 Cb 0.18 -0.86 0.32 0.00 0.00 0.00 0.00 19.45 19.08 2r85 n ALA 209 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2r85 h ILE 210 N 0.00 0.80 0.00 0.00 3.07 -1.45 -2.61 117.51 117.33 2r85 h ILE 210 Ca -0.04 -1.53 -0.00 0.00 1.55 0.00 0.00 64.86 64.84 2r85 h ILE 210 Cb 1.11 1.96 -0.00 0.00 -0.27 0.00 0.00 36.82 39.62 2r85 h ILE 210 CO 0.00 0.35 -0.00 1.23 -1.05 0.00 0.00 178.15 178.68 2r85 h GLY 211 N 2.28 0.00 1.40 0.16 0.00 -1.79 -0.45 103.07 104.66 2r85 h GLY 211 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2r85 h GLY 211 CO 0.05 0.00 -0.07 0.54 0.00 0.00 0.00 176.54 177.06 2r85 n ARG 212 N -3.43 0.40 -3.64 4.80 1.74 -0.98 -4.75 116.66 110.80 2r85 n ARG 212 Ca -0.03 -0.07 -0.38 0.00 -0.77 0.00 0.00 57.85 56.60 2r85 n ARG 212 Cb 0.08 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.91 2r85 n ARG 212 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2r85 s ILE 213 N -2.65 4.96 0.56 0.55 1.01 -0.18 -5.07 121.20 120.38 2r85 s ILE 213 Ca 0.25 0.02 -0.21 0.00 0.00 0.00 0.00 60.65 60.71 2r85 s ILE 213 Cb 0.20 -3.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 2r85 s ILE 213 CO 0.49 0.26 1.23 -2.65 0.00 0.00 0.00 174.94 174.27 2r85 n PRO 214 N 5.02 1.39 -0.27 2.79 -0.02 -1.26 -4.75 135.00 137.89 2r85 n PRO 214 Ca -0.15 0.52 0.07 0.00 -2.02 0.00 0.00 63.50 61.92 2r85 n PRO 214 Cb 0.52 -2.43 0.21 0.00 -0.02 0.00 0.00 33.50 31.78 2r85 n PRO 214 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2r85 h ALA 215 N 1.09 1.15 -0.88 3.55 0.00 -1.96 -1.69 119.26 120.51 2r85 h ALA 215 Ca -0.50 0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.58 2r85 h ALA 215 Cb 1.33 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 2r85 h ALA 215 CO 0.55 -0.22 0.56 -0.22 0.00 0.00 0.00 179.25 179.93 2r85 h LYS 216 N 0.46 1.04 -0.25 0.00 3.64 -2.00 -1.20 116.57 118.26 2r85 h LYS 216 Ca 0.44 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.58 2r85 h LYS 216 Cb 0.70 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2r85 h LYS 216 CO -0.42 0.69 -0.58 -0.44 -2.27 0.00 0.00 179.45 176.43 2r85 h ASP 217 N 1.08 0.90 -0.89 4.20 3.32 -1.69 -3.14 116.42 120.19 2r85 h ASP 217 Ca 0.36 -0.50 0.02 0.00 0.02 0.00 0.00 57.03 56.94 2r85 h ASP 217 Cb 0.05 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.30 2r85 h ASP 217 CO -0.13 1.28 0.58 1.56 -1.72 0.00 0.00 179.24 180.81 2r85 h GLN 218 N 0.61 1.11 0.00 3.56 4.20 -0.73 -3.13 115.11 120.74 2r85 h GLN 218 Ca 0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2r85 h GLN 218 Cb 1.18 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.71 2r85 h GLN 218 CO 0.12 0.74 0.00 -0.07 -0.67 0.00 0.00 178.83 178.95 2r85 h LEU 219 N 1.15 0.00 -0.22 1.46 3.38 -1.19 -1.68 115.31 118.21 2r85 h LEU 219 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2r85 h LEU 219 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2r85 h LEU 219 CO -0.10 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.81 2r85 n GLU 220 N -2.42 0.15 -4.34 1.13 1.02 -1.18 -4.83 120.64 110.16 2r85 n GLU 220 Ca 0.01 0.24 -0.22 0.00 -0.02 0.00 0.00 57.16 57.18 2r85 n GLU 220 Cb 0.22 -1.72 -0.11 0.00 -0.02 0.00 0.00 31.44 29.82 2r85 n GLU 220 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2r85 s PHE 221 N -3.13 1.85 -0.67 -0.32 0.08 -0.63 -5.09 117.98 110.07 2r85 s PHE 221 Ca 0.09 -0.46 -0.24 0.00 0.12 0.00 0.00 56.93 56.43 2r85 s PHE 221 Cb 0.12 -0.92 0.05 0.00 -0.57 0.00 0.00 43.02 41.71 2r85 s PHE 221 CO 0.46 0.35 1.07 0.34 -0.10 0.00 0.00 175.22 177.34 2r85 s ASP 222 N -2.70 6.19 0.26 1.36 2.15 -1.26 -4.99 116.67 117.68 2r85 s ASP 222 Ca 0.16 -0.74 -0.30 0.00 0.43 0.00 0.00 52.55 52.11 2r85 s ASP 222 Cb -0.06 -2.47 -0.10 0.00 -0.30 0.00 0.00 42.92 40.00 2r85 s ASP 222 CO 0.07 -1.55 1.42 -0.04 -0.17 0.00 0.00 175.17 174.90 2r85 s MET 223 N 4.60 4.27 -0.51 4.34 -1.94 -1.26 -4.98 119.30 123.82 2r85 s MET 223 Ca 0.27 2.30 0.01 0.00 -1.71 0.00 0.00 55.69 56.56 2r85 s MET 223 Cb -0.14 -3.10 0.13 0.00 2.01 0.00 0.00 34.83 33.74 2r85 s MET 223 CO 0.13 -0.39 0.27 0.34 -0.01 0.00 0.00 175.02 175.36 2r85 s ASP 224 N 0.22 4.79 0.00 3.03 2.15 -1.26 -5.05 116.67 120.56 2r85 s ASP 224 Ca 0.58 -2.70 -0.29 0.00 0.43 0.00 0.00 52.55 50.56 2r85 s ASP 224 Cb -0.42 -1.73 -0.03 0.00 -0.30 0.00 0.00 42.92 40.44 2r85 s ASP 224 CO 0.45 -0.34 0.94 -0.63 -0.17 0.00 0.00 175.17 175.43 2r85 s ILE 225 N 0.16 4.85 0.19 4.11 -1.09 -1.26 -4.91 121.20 123.25 2r85 s ILE 225 Ca 0.15 1.98 0.08 0.00 -2.23 0.00 0.00 60.65 60.63 2r85 s ILE 225 Cb -0.23 -4.28 -0.04 0.00 -1.58 0.00 0.00 42.46 36.32 2r85 s ILE 225 CO -0.03 0.19 -0.16 0.42 -1.23 0.00 0.00 174.94 174.12 2r85 s THR 226 N 0.87 1.83 -0.18 2.92 -4.23 -1.26 -4.68 115.64 110.92 2r85 s THR 226 Ca 0.50 -2.10 0.16 0.00 -1.18 0.00 0.00 61.69 59.06 2r85 s THR 226 Cb -0.21 -1.97 0.44 0.00 1.34 0.00 0.00 72.50 72.10 2r85 s THR 226 CO 0.27 -0.46 1.19 -1.22 -0.54 0.00 0.00 174.62 173.86 2r85 n TYR 227 N -0.11 0.75 -1.81 3.99 4.01 -1.22 -1.45 117.16 121.33 2r85 n TYR 227 Ca -0.10 -1.49 -0.42 0.00 -0.16 0.00 0.00 57.90 55.73 2r85 n TYR 227 Cb 0.59 -0.24 -0.03 0.00 -0.31 0.00 0.00 39.34 39.35 2r85 n TYR 227 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2r85 s THR 228 N -2.78 2.47 -0.09 -0.72 2.01 -0.04 -4.69 115.64 111.79 2r85 s THR 228 Ca 0.38 0.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.29 2r85 s THR 228 Cb 0.38 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 2r85 s THR 228 CO -0.07 0.01 1.21 -0.69 -0.69 0.00 0.00 174.62 174.39 2r85 s VAL 229 N 1.82 4.29 -0.13 3.82 1.01 -1.26 -0.44 120.40 129.51 2r85 s VAL 229 Ca 0.75 1.60 0.03 0.00 0.00 0.00 0.00 61.98 64.36 2r85 s VAL 229 Cb -0.46 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 31.79 2r85 s VAL 229 CO 0.33 -0.04 -0.08 -0.38 0.00 0.00 0.00 175.10 174.92 2r85 n ILE 230 N 4.84 0.77 -2.48 2.22 2.08 0.06 -4.95 119.36 121.90 2r85 n ILE 230 Ca 0.12 -0.33 0.00 0.00 0.56 0.00 0.00 62.75 63.09 2r85 n ILE 230 Cb 0.46 -0.92 0.00 0.00 -0.75 0.00 0.00 39.64 38.43 2r85 n ILE 230 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2r85 n GLY 231 N 2.73 1.87 3.20 7.39 0.00 -0.90 -5.01 105.19 114.47 2r85 n GLY 231 Ca -0.22 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 2r85 n GLY 231 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2r85 s ASN 232 N 2.00 -0.27 -0.10 1.61 0.01 -1.26 -0.68 114.94 116.24 2r85 s ASN 232 Ca 0.00 0.45 0.04 0.00 -0.71 0.00 0.00 52.86 52.63 2r85 s ASN 232 Cb 0.00 0.53 0.00 0.00 0.41 0.00 0.00 41.25 42.19 2r85 s ASN 232 CO 0.00 -0.20 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.53 2r85 s ILE 233 N -0.28 1.97 0.29 0.60 1.01 -0.57 -4.91 121.20 119.32 2r85 s ILE 233 Ca -0.04 -0.96 -0.29 0.00 0.00 0.00 0.00 60.65 59.36 2r85 s ILE 233 Cb -0.03 -1.71 -0.10 0.00 0.01 0.00 0.00 42.46 40.63 2r85 s ILE 233 CO 0.01 0.54 1.17 -2.16 0.00 0.00 0.00 174.94 174.50 2r85 s PRO 234 N 0.46 4.55 0.13 2.79 0.04 -1.26 -0.20 135.00 141.50 2r85 s PRO 234 Ca -0.17 1.93 0.01 0.00 0.04 0.00 0.00 61.00 62.82 2r85 s PRO 234 Cb -0.17 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 2r85 s PRO 234 CO 0.07 0.08 -0.02 0.96 0.04 0.00 0.00 177.00 178.12 2r85 s ILE 235 N -1.10 0.62 0.22 0.56 -4.36 -1.07 -4.82 121.20 111.25 2r85 s ILE 235 Ca 0.46 -1.95 0.10 0.00 -0.26 0.00 0.00 60.65 59.01 2r85 s ILE 235 Cb -0.34 -1.91 -0.04 0.00 1.25 0.00 0.00 42.46 41.42 2r85 s ILE 235 CO 0.44 -0.66 -0.15 0.68 0.24 0.00 0.00 174.94 175.49 2r85 s VAL 236 N -3.69 2.80 0.32 8.37 -7.23 -1.26 -4.32 120.40 115.40 2r85 s VAL 236 Ca 0.18 -1.98 -0.02 0.00 -1.81 0.00 0.00 61.98 58.35 2r85 s VAL 236 Cb 0.06 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 2r85 s VAL 236 CO -0.00 -0.21 0.55 -0.76 -0.31 0.00 0.00 175.10 174.37 2r85 s LEU 237 N -3.04 4.02 0.04 1.32 1.43 -1.26 -5.05 118.68 116.15 2r85 s LEU 237 Ca 0.25 0.58 -0.37 0.00 -1.03 0.00 0.00 54.13 53.57 2r85 s LEU 237 Cb -0.07 -3.43 -0.16 0.00 0.03 0.00 0.00 46.19 42.56 2r85 s LEU 237 CO 0.14 -0.25 1.42 -1.14 0.23 0.00 0.00 176.35 176.74 2r85 n ARG 238 N -1.39 1.25 -0.17 1.70 0.63 -1.26 -4.87 116.66 112.55 2r85 n ARG 238 Ca -0.03 0.45 0.05 0.00 -0.92 0.00 0.00 57.85 57.40 2r85 n ARG 238 Cb 0.55 -2.11 0.34 0.00 0.45 0.00 0.00 32.46 31.69 2r85 n ARG 238 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 2r85 h GLU 239 N 5.08 0.76 0.00 -0.14 4.81 -2.03 -1.21 114.58 121.85 2r85 h GLU 239 Ca -0.47 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2r85 h GLU 239 Cb 1.33 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2r85 h GLU 239 CO 0.81 0.50 0.00 -1.13 -0.73 0.00 0.00 179.01 178.47 2r85 n SER 240 N -4.47 0.17 0.07 1.04 3.41 -1.26 -1.86 113.62 110.72 2r85 n SER 240 Ca 0.09 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 2r85 n SER 240 Cb 0.18 -0.58 0.21 0.00 -0.26 0.00 0.00 64.21 63.76 2r85 n SER 240 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2r85 n LEU 241 N -1.69 0.71 -0.18 1.04 4.77 -0.46 -4.43 117.00 116.76 2r85 n LEU 241 Ca 0.03 0.28 -0.09 0.00 -0.03 0.00 0.00 56.01 56.19 2r85 n LEU 241 Cb 0.17 -0.21 0.01 0.00 -2.33 0.00 0.00 43.42 41.06 2r85 n LEU 241 CO 0.14 -0.07 0.85 -0.07 -1.33 0.00 0.00 177.39 176.91 2r85 h LEU 242 N 0.00 0.83 -0.45 2.23 3.38 -1.47 -2.73 115.31 117.09 2r85 h LEU 242 Ca 0.00 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.73 2r85 h LEU 242 Cb 0.74 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 2r85 h LEU 242 CO 0.00 0.89 0.22 -0.03 0.09 0.00 0.00 178.44 179.62 2r85 h MET 243 N 0.74 0.43 -0.03 1.13 4.05 -1.77 0.14 114.93 119.62 2r85 h MET 243 Ca 0.15 -0.03 -0.12 0.00 -0.28 0.00 0.00 59.70 59.42 2r85 h MET 243 Cb 0.43 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 2r85 h MET 243 CO 0.01 0.29 -0.55 -0.44 0.23 0.00 0.00 176.91 176.45 2r85 h ASP 244 N 0.45 0.11 -0.47 1.39 3.32 -1.83 0.13 116.42 119.52 2r85 h ASP 244 Ca 0.19 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 2r85 h ASP 244 Cb 0.10 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2r85 h ASP 244 CO -0.14 0.64 0.09 0.58 -1.72 0.00 0.00 179.24 178.70 2r85 h VAL 245 N 0.08 1.24 -0.30 -1.35 2.07 -1.07 -1.45 116.25 115.47 2r85 h VAL 245 Ca -0.00 -0.88 -0.10 0.00 0.82 0.00 0.00 66.70 66.54 2r85 h VAL 245 Cb 1.00 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2r85 h VAL 245 CO 0.08 0.31 -0.20 0.40 0.02 0.00 0.00 177.57 178.18 2r85 h ILE 246 N 0.64 1.30 -0.74 4.57 2.04 -0.43 -2.68 117.51 122.20 2r85 h ILE 246 Ca 0.14 -1.33 0.01 0.00 1.00 0.00 0.00 64.86 64.68 2r85 h ILE 246 Cb 0.36 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 2r85 h ILE 246 CO 0.01 0.43 0.49 -0.33 0.00 0.00 0.00 178.15 178.75 2r85 h GLU 247 N 0.42 0.95 -0.45 2.37 5.08 -0.70 -0.92 114.58 121.34 2r85 h GLU 247 Ca 0.06 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2r85 h GLU 247 Cb 0.75 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2r85 h GLU 247 CO 0.06 0.63 0.29 0.00 -1.00 0.00 0.00 179.01 178.99 2r85 h ALA 248 N 1.54 0.57 -0.69 3.43 0.00 -1.10 -1.17 119.26 121.84 2r85 h ALA 248 Ca 0.28 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.18 2r85 h ALA 248 Cb -0.08 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 2r85 h ALA 248 CO -0.07 0.01 0.44 0.78 0.00 0.00 0.00 179.25 180.42 2r85 h GLY 249 N 0.60 0.99 1.01 0.00 0.00 -0.99 -1.36 103.07 103.32 2r85 h GLY 249 Ca 0.16 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2r85 h GLY 249 CO -0.04 0.29 0.48 0.83 0.00 0.00 0.00 176.54 178.10 2r85 h GLU 250 N 0.87 1.01 -0.37 4.80 4.39 -0.73 -1.83 114.58 122.72 2r85 h GLU 250 Ca 0.27 -0.08 -0.12 0.00 0.34 0.00 0.00 59.36 59.78 2r85 h GLU 250 Cb -0.01 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.41 2r85 h GLU 250 CO -0.10 0.70 -0.25 0.00 -1.16 0.00 0.00 179.01 178.20 2r85 h ARG 251 N 1.03 0.74 -0.44 2.33 3.08 -0.80 -1.03 114.38 119.30 2r85 h ARG 251 Ca 0.27 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2r85 h ARG 251 Cb -0.07 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 2r85 h ARG 251 CO -0.06 0.92 0.20 0.28 -1.07 0.00 0.00 179.97 180.24 2r85 h VAL 252 N 0.65 1.19 -0.20 2.04 2.07 -0.98 -0.61 116.25 120.40 2r85 h VAL 252 Ca 0.09 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 2r85 h VAL 252 Cb 0.76 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2r85 h VAL 252 CO 0.06 0.21 0.11 0.58 0.02 0.00 0.00 177.57 178.55 2r85 h VAL 253 N 0.57 1.12 -0.72 2.57 2.07 -1.10 -1.96 116.25 118.78 2r85 h VAL 253 Ca 0.15 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2r85 h VAL 253 Cb 0.14 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2r85 h VAL 253 CO -0.02 0.11 0.38 0.50 0.02 0.00 0.00 177.57 178.56 2r85 h LYS 254 N 0.21 1.02 -0.77 1.57 3.64 -1.03 -1.61 116.57 119.60 2r85 h LYS 254 Ca 0.07 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 2r85 h LYS 254 Cb 0.08 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 2r85 h LYS 254 CO -0.01 0.77 0.39 0.00 -2.27 0.00 0.00 179.45 178.33 2r85 h ALA 255 N 1.19 1.24 -0.16 5.00 0.00 -1.00 -2.44 119.26 123.08 2r85 h ALA 255 Ca 0.25 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2r85 h ALA 255 Cb 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2r85 h ALA 255 CO -0.04 0.60 -0.30 0.00 0.00 0.00 0.00 179.25 179.51 2r85 h ALA 256 N 1.34 1.20 -0.48 0.00 0.00 -0.77 -1.08 119.26 119.48 2r85 h ALA 256 Ca 0.27 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2r85 h ALA 256 Cb 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2r85 h ALA 256 CO -0.04 0.52 0.31 0.93 0.00 0.00 0.00 179.25 180.98 2r85 h GLU 257 N 0.27 0.63 0.00 0.00 5.08 -0.82 -0.65 114.58 119.08 2r85 h GLU 257 Ca 0.04 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 2r85 h GLU 257 Cb 0.67 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 2r85 h GLU 257 CO 0.05 0.42 -1.44 1.49 -1.00 0.00 0.00 179.01 178.53 2r85 h GLU 258 N 0.64 0.00 0.03 2.33 4.81 -1.33 -3.37 114.58 117.69 2r85 h GLU 258 Ca 0.17 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 59.05 2r85 h GLU 258 Cb -0.07 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 2r85 h GLU 258 CO -0.04 0.38 -2.18 1.28 -0.73 0.00 0.00 179.01 177.72 2r85 n LEU 259 N -2.96 1.65 -0.25 1.64 4.77 -0.45 -4.81 117.00 116.58 2r85 n LEU 259 Ca -0.11 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2r85 n LEU 259 Cb 0.90 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2r85 n LEU 259 CO 0.44 0.68 0.23 1.15 -1.33 0.00 0.00 177.39 178.56 2r85 n MET 260 N -3.13 0.00 -0.74 3.23 0.00 -0.54 -5.00 117.12 110.93 2r85 n MET 260 Ca -0.33 -0.65 0.00 0.00 0.00 0.00 0.00 57.70 56.72 2r85 n MET 260 Cb 1.06 -0.43 0.00 0.00 0.00 0.00 0.00 33.22 33.85 2r85 n MET 260 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2r85 n GLY 261 N 0.00 0.60 0.00 3.17 0.00 -1.09 -4.71 105.19 103.16 2r85 n GLY 261 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2r85 n GLY 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r85 n GLY 262 N -2.74 2.68 2.97 -0.02 0.00 -0.36 -4.89 105.19 102.82 2r85 n GLY 262 Ca 0.00 -1.95 -0.25 0.00 0.00 0.00 0.00 46.02 43.82 2r85 n GLY 262 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2r85 s LEU 263 N 0.00 1.44 0.14 0.99 2.96 -1.26 -4.77 118.68 118.18 2r85 s LEU 263 Ca 0.00 -0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 53.59 2r85 s LEU 263 Cb 0.00 -0.79 -0.03 0.00 0.50 0.00 0.00 46.19 45.87 2r85 s LEU 263 CO 0.00 -0.03 0.13 -1.66 -1.32 0.00 0.00 176.35 173.47 2r85 s TRP 264 N 1.07 0.66 0.00 5.38 -2.14 -1.26 -4.92 118.94 117.73 2r85 s TRP 264 Ca -0.07 -1.04 0.00 0.00 2.66 0.00 0.00 56.10 57.65 2r85 s TRP 264 Cb -0.14 -0.31 0.00 0.00 -3.10 0.00 0.00 33.47 29.91 2r85 s TRP 264 CO -0.01 -0.58 0.00 0.41 -2.66 0.00 0.00 176.95 174.11 2r85 n GLY 265 N -0.12 -1.68 3.80 3.67 0.00 0.69 -4.65 105.19 106.91 2r85 n GLY 265 Ca -0.07 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 2r85 n GLY 265 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2r85 s PRO 266 N 0.00 3.91 0.35 1.61 0.04 -1.26 -1.35 135.00 138.29 2r85 s PRO 266 Ca 0.00 1.28 -0.17 0.00 0.04 0.00 0.00 61.00 62.15 2r85 s PRO 266 Cb 0.00 -2.12 0.04 0.00 0.04 0.00 0.00 34.50 32.46 2r85 s PRO 266 CO 0.00 -0.33 0.74 -0.59 0.04 0.00 0.00 177.00 176.87 2r85 s PHE 267 N -2.06 0.07 -0.16 0.56 -0.12 -0.88 -3.25 117.98 112.13 2r85 s PHE 267 Ca 0.65 -0.65 -0.15 0.00 -0.05 0.00 0.00 56.93 56.73 2r85 s PHE 267 Cb -0.14 0.73 0.04 0.00 -0.63 0.00 0.00 43.02 43.03 2r85 s PHE 267 CO 0.19 -1.43 0.44 0.00 -0.05 0.00 0.00 175.22 174.37 2r85 s LEU 269 N 0.21 3.74 -0.23 0.00 1.43 -1.19 -1.15 118.68 121.49 2r85 s LEU 269 Ca -0.00 -0.01 -0.07 0.00 -1.03 0.00 0.00 54.13 53.01 2r85 s LEU 269 Cb -0.03 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 2r85 s LEU 269 CO 0.01 0.08 0.07 -1.61 0.23 0.00 0.00 176.35 175.13 2r85 s GLU 270 N 0.91 3.74 0.00 1.70 2.02 0.00 -3.75 118.70 123.32 2r85 s GLU 270 Ca 0.04 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 54.59 2r85 s GLU 270 Cb -0.14 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.79 2r85 s GLU 270 CO 0.03 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.64 2r85 n GLY 271 N 4.59 2.32 3.12 -1.39 0.00 -1.01 -0.24 105.19 112.59 2r85 n GLY 271 Ca -0.16 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 2r85 n GLY 271 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2r85 s VAL 272 N -1.57 0.65 -0.22 1.61 -7.23 -0.23 -1.23 120.40 112.18 2r85 s VAL 272 Ca 0.00 -1.50 -0.07 0.00 -1.81 0.00 0.00 61.98 58.60 2r85 s VAL 272 Cb 0.00 -1.14 -0.03 0.00 0.56 0.00 0.00 36.38 35.77 2r85 s VAL 272 CO 0.00 -0.60 0.05 -0.36 -0.31 0.00 0.00 175.10 173.88 2r85 s PHE 273 N -2.42 3.11 0.70 2.82 0.40 -0.27 -1.03 117.98 121.28 2r85 s PHE 273 Ca 0.01 -0.31 -0.10 0.00 -0.60 0.00 0.00 56.93 55.92 2r85 s PHE 273 Cb -0.03 -2.17 0.03 0.00 0.51 0.00 0.00 43.02 41.36 2r85 s PHE 273 CO -0.02 -0.22 1.07 0.95 0.70 0.00 0.00 175.22 177.70 2r85 s THR 274 N 1.22 3.10 -0.29 0.64 -4.23 -0.38 -1.65 115.64 114.05 2r85 s THR 274 Ca 0.04 0.21 0.22 0.00 -1.18 0.00 0.00 61.69 60.98 2r85 s THR 274 Cb -0.14 -3.33 0.22 0.00 1.34 0.00 0.00 72.50 70.59 2r85 s THR 274 CO 0.03 -0.41 1.66 -2.65 -0.54 0.00 0.00 174.62 172.71 2r85 n PRO 275 N -2.98 0.15 -0.55 3.99 -0.02 -1.26 -1.31 135.00 133.02 2r85 n PRO 275 Ca 0.07 0.58 0.06 0.00 -2.02 0.00 0.00 63.50 62.19 2r85 n PRO 275 Cb 0.58 -1.93 0.28 0.00 -0.02 0.00 0.00 33.50 32.42 2r85 n PRO 275 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2r85 n ASP 276 N -2.24 4.05 -1.61 2.55 8.00 -1.26 -4.92 116.55 121.12 2r85 n ASP 276 Ca -0.01 -2.49 -0.14 0.00 0.71 0.00 0.00 54.79 52.86 2r85 n ASP 276 Cb 0.08 -0.56 -0.01 0.00 -0.02 0.00 0.00 41.12 40.61 2r85 n ASP 276 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2r85 n LEU 277 N 0.65 -1.62 -4.72 0.64 4.77 -0.43 -5.01 117.00 111.28 2r85 n LEU 277 Ca 0.20 0.01 -0.35 0.00 -0.03 0.00 0.00 56.01 55.83 2r85 n LEU 277 Cb 0.81 -2.18 -0.08 0.00 -2.33 0.00 0.00 43.42 39.64 2r85 n LEU 277 CO 0.21 -0.19 -0.14 -0.70 -1.33 0.00 0.00 177.39 175.24 2r85 s GLU 278 N -4.63 4.19 -0.30 3.23 2.12 -1.25 -4.90 118.70 117.16 2r85 s GLU 278 Ca 0.00 -0.16 -0.21 0.00 0.36 0.00 0.00 54.97 54.96 2r85 s GLU 278 Cb 0.00 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.95 2r85 s GLU 278 CO 0.00 0.26 0.67 0.12 -0.54 0.00 0.00 175.26 175.77 2r85 s PHE 279 N 0.46 3.21 -0.18 5.30 5.36 -1.26 -1.25 117.98 129.63 2r85 s PHE 279 Ca 0.10 0.65 -0.02 0.00 -0.96 0.00 0.00 56.93 56.70 2r85 s PHE 279 Cb -0.12 -3.04 -0.01 0.00 -0.34 0.00 0.00 43.02 39.52 2r85 s PHE 279 CO -0.00 -0.49 -0.10 0.08 -1.46 0.00 0.00 175.22 173.25 2r85 s VAL 280 N 2.69 3.06 -0.19 3.12 1.01 -0.20 -4.61 120.40 125.28 2r85 s VAL 280 Ca 0.27 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 2r85 s VAL 280 Cb -0.15 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 2r85 s VAL 280 CO 0.12 0.48 0.20 -0.69 0.00 0.00 0.00 175.10 175.21 2r85 s VAL 281 N 0.99 5.36 -0.14 2.92 1.01 0.01 -1.06 120.40 129.49 2r85 s VAL 281 Ca -0.01 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.34 2r85 s VAL 281 Cb -0.15 -3.54 -0.24 0.00 0.00 0.00 0.00 36.38 32.45 2r85 s VAL 281 CO -0.01 0.41 0.30 0.49 0.00 0.00 0.00 175.10 176.29 2r85 n PHE 282 N 3.61 0.84 -3.71 5.22 0.99 0.67 -4.26 117.46 120.82 2r85 n PHE 282 Ca -0.14 0.21 -0.13 0.00 -0.00 0.00 0.00 57.45 57.40 2r85 n PHE 282 Cb 0.52 -1.12 -0.07 0.00 -1.00 0.00 0.00 39.48 37.81 2r85 n PHE 282 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 2r85 s GLU 283 N -2.55 0.84 -0.13 -1.08 2.02 -1.01 -5.03 118.70 111.76 2r85 s GLU 283 Ca -0.19 -0.35 -0.03 0.00 0.02 0.00 0.00 54.97 54.43 2r85 s GLU 283 Cb 0.07 0.37 -0.03 0.00 0.10 0.00 0.00 34.13 34.65 2r85 s GLU 283 CO 0.76 -0.27 -0.04 -1.50 0.02 0.00 0.00 175.26 174.22 2r85 s ILE 284 N -2.22 3.87 -0.35 -1.63 2.07 -1.26 -0.82 121.20 120.86 2r85 s ILE 284 Ca -0.07 -0.38 -0.07 0.00 -1.41 0.00 0.00 60.65 58.72 2r85 s ILE 284 Cb -0.02 -2.67 0.04 0.00 0.13 0.00 0.00 42.46 39.95 2r85 s ILE 284 CO -0.01 0.52 0.13 -0.44 -1.91 0.00 0.00 174.94 173.23 2r85 s SER 285 N 0.06 5.40 -0.36 4.50 0.01 -0.30 -4.89 113.70 118.12 2r85 s SER 285 Ca -0.00 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.10 2r85 s SER 285 Cb -0.13 -1.90 0.35 0.00 0.21 0.00 0.00 66.02 64.54 2r85 s SER 285 CO 0.03 -0.35 1.82 0.00 0.41 0.00 0.00 173.24 175.14 2r85 n ALA 286 N 4.84 5.00 -2.94 1.44 0.00 -1.26 -0.58 120.51 127.01 2r85 n ALA 286 Ca -0.12 -2.01 -0.14 0.00 0.00 0.00 0.00 53.44 51.17 2r85 n ALA 286 Cb 0.45 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 2r85 n ALA 286 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2r85 s ARG 287 N -2.25 1.88 0.28 0.00 0.52 -1.20 -4.78 118.95 113.40 2r85 s ARG 287 Ca 0.38 -1.69 -0.30 0.00 -0.52 0.00 0.00 55.73 53.60 2r85 s ARG 287 Cb 0.31 0.45 -0.13 0.00 0.52 0.00 0.00 34.95 36.10 2r85 s ARG 287 CO 0.03 -0.78 1.37 1.51 0.02 0.00 0.00 175.30 177.45 2r85 n ILE 288 N -0.54 1.34 -4.20 1.52 3.06 -1.25 -3.96 119.36 115.32 2r85 n ILE 288 Ca 0.00 -0.33 -0.25 0.00 -2.50 0.00 0.00 62.75 59.67 2r85 n ILE 288 Cb 0.62 -1.52 -0.07 0.00 0.54 0.00 0.00 39.64 39.20 2r85 n ILE 288 CO 0.00 0.00 0.00 0.68 -2.50 0.00 0.00 176.55 174.73 2r85 s VAL 289 N -0.43 3.82 0.49 9.51 -7.23 -1.26 -3.06 120.40 122.23 2r85 s VAL 289 Ca 0.63 -1.50 0.26 0.00 -1.81 0.00 0.00 61.98 59.57 2r85 s VAL 289 Cb -0.61 -2.97 0.30 0.00 0.56 0.00 0.00 36.38 33.66 2r85 s VAL 289 CO 0.54 -0.20 2.14 0.00 -0.31 0.00 0.00 175.10 177.27 2r85 h ALA 290 N 2.35 1.46 -0.21 1.32 0.00 -1.95 -2.07 119.26 120.17 2r85 h ALA 290 Ca -0.47 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.43 2r85 h ALA 290 Cb 1.22 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2r85 h ALA 290 CO 0.59 0.10 0.20 0.78 0.00 0.00 0.00 179.25 180.92 2r85 h GLY 291 N 0.45 0.00 2.00 0.00 0.00 -1.95 -0.05 103.07 103.51 2r85 h GLY 291 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2r85 h GLY 291 CO 0.01 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 175.64 2r85 h THR 292 N 0.00 0.00 -0.03 4.70 1.35 -1.79 -2.99 112.91 114.15 2r85 h THR 292 Ca 0.10 -0.33 0.01 0.00 -0.55 0.00 0.00 66.41 65.63 2r85 h THR 292 Cb 0.50 1.25 -0.00 0.00 -1.73 0.00 0.00 68.15 68.17 2r85 h THR 292 CO -0.00 0.00 0.05 0.78 -0.25 0.00 0.00 175.52 176.10 2r85 h ASN 293 N 0.00 0.00 0.40 5.36 2.35 -1.19 -1.36 115.58 121.13 2r85 h ASN 293 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 2r85 h ASN 293 Cb 0.36 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 2r85 h ASN 293 CO 0.00 0.00 -0.17 0.40 -1.65 0.00 0.00 177.43 176.01 2r85 h ILE 294 N 0.00 0.73 -0.78 2.81 2.04 -1.72 -3.33 117.51 117.26 2r85 h ILE 294 Ca 0.01 -0.71 -0.49 0.00 1.00 0.00 0.00 64.86 64.67 2r85 h ILE 294 Cb 0.12 1.43 -0.28 0.00 -0.74 0.00 0.00 36.82 37.36 2r85 h ILE 294 CO -0.00 0.17 0.22 0.49 0.00 0.00 0.00 178.15 179.03 2r85 n PHE 295 N -3.76 2.55 -0.34 1.37 3.72 -0.51 -4.56 117.46 115.92 2r85 n PHE 295 Ca -0.02 -2.28 0.10 0.00 -0.05 0.00 0.00 57.45 55.20 2r85 n PHE 295 Cb 0.28 -0.88 0.27 0.00 -0.94 0.00 0.00 39.48 38.22 2r85 n PHE 295 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2r85 h VAL 296 N 1.26 0.78 -0.80 -4.37 2.07 -1.74 -0.31 116.25 113.15 2r85 h VAL 296 Ca 0.46 -0.28 -0.48 0.00 0.82 0.00 0.00 66.70 67.22 2r85 h VAL 296 Cb 1.55 -0.10 -0.24 0.00 -1.52 0.00 0.00 31.29 30.98 2r85 h VAL 296 CO 1.02 0.15 0.62 -3.20 0.02 0.00 0.00 177.57 176.18 2r85 n ASN 297 N -4.74 5.52 -0.01 0.57 5.15 -1.26 -4.30 115.26 116.20 2r85 n ASN 297 Ca 0.21 -3.41 0.00 0.00 -0.60 0.00 0.00 54.58 50.78 2r85 n ASN 297 Cb 0.47 -0.90 -0.00 0.00 -0.53 0.00 0.00 39.78 38.82 2r85 n ASN 297 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2r85 n GLY 298 N -0.62 -2.27 3.32 8.20 0.00 -0.13 -4.67 105.19 109.03 2r85 n GLY 298 Ca 0.49 -1.54 -0.17 0.00 0.00 0.00 0.00 46.02 44.81 2r85 n GLY 298 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2r85 s SER 299 N -2.06 1.30 0.56 1.61 1.04 -1.26 -4.53 113.70 110.35 2r85 s SER 299 Ca 0.00 -1.44 0.37 0.00 0.48 0.00 0.00 55.95 55.36 2r85 s SER 299 Cb 0.00 0.24 2.02 0.00 0.10 0.00 0.00 66.02 68.39 2r85 s SER 299 CO 0.00 -0.79 2.14 -0.65 0.98 0.00 0.00 173.24 174.92 2r85 h PRO 300 N 2.33 0.00 0.05 4.02 0.11 -1.94 -1.78 132.00 134.79 2r85 h PRO 300 Ca -0.37 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.44 2r85 h PRO 300 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 2r85 h PRO 300 CO 0.58 0.00 -1.68 0.66 -0.21 0.00 0.00 178.00 177.35 2r85 n TYR 301 N -2.81 1.04 0.14 0.65 4.01 -1.26 -4.11 117.16 114.81 2r85 n TYR 301 Ca -0.02 0.33 0.01 0.00 -0.16 0.00 0.00 57.90 58.06 2r85 n TYR 301 Cb 0.07 -1.12 0.35 0.00 -0.31 0.00 0.00 39.34 38.32 2r85 n TYR 301 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 2r85 h THR 302 N -0.52 1.23 0.00 -0.72 1.35 -1.65 -2.03 112.91 110.57 2r85 h THR 302 Ca -0.41 -1.09 0.00 0.00 -0.55 0.00 0.00 66.41 64.36 2r85 h THR 302 Cb 1.64 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.53 2r85 h THR 302 CO -0.09 0.32 0.00 0.79 -0.25 0.00 0.00 175.52 176.29 2r85 n TRP 303 N -4.17 0.00 0.21 4.73 7.02 -0.69 -0.89 117.44 123.65 2r85 n TRP 303 Ca -0.01 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.57 2r85 n TRP 303 Cb 0.36 -0.33 0.26 0.00 -2.42 0.00 0.00 31.31 29.18 2r85 n TRP 303 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2r85 h LEU 304 N 0.00 0.00 -0.17 -0.99 3.38 -1.51 -3.40 115.31 112.61 2r85 h LEU 304 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2r85 h LEU 304 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2r85 h LEU 304 CO 0.00 0.16 0.00 -2.11 0.09 0.00 0.00 178.44 176.58 2r85 n ARG 305 N -3.18 1.72 -4.39 1.13 1.85 -0.47 -5.07 116.66 108.26 2r85 n ARG 305 Ca 0.02 -0.09 -0.24 0.00 -1.00 0.00 0.00 57.85 56.54 2r85 n ARG 305 Cb 0.53 -0.42 -0.11 0.00 -1.05 0.00 0.00 32.46 31.41 2r85 n ARG 305 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2r85 s TYR 306 N -0.27 2.09 -2.18 2.89 2.02 -0.07 -5.04 117.35 116.78 2r85 s TYR 306 Ca 0.00 -0.40 0.20 0.00 -0.37 0.00 0.00 57.07 56.50 2r85 s TYR 306 Cb 0.00 -1.02 0.53 0.00 -0.40 0.00 0.00 41.96 41.07 2r85 s TYR 306 CO 0.00 0.45 1.45 -0.25 -1.57 0.00 0.00 175.55 175.62 2r85 n ASP 307 N 0.19 3.07 -4.02 2.29 8.00 -1.26 -4.64 116.55 120.17 2r85 n ASP 307 Ca -0.12 -1.96 -0.08 0.00 0.71 0.00 0.00 54.79 53.34 2r85 n ASP 307 Cb 0.57 -0.31 -0.09 0.00 -0.02 0.00 0.00 41.12 41.26 2r85 n ASP 307 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2r85 s ARG 308 N -1.37 0.75 0.08 -1.24 1.70 -1.26 -5.13 118.95 112.48 2r85 s ARG 308 Ca 0.39 -1.16 -0.31 0.00 -0.47 0.00 0.00 55.73 54.18 2r85 s ARG 308 Cb 0.21 0.26 -0.07 0.00 -0.57 0.00 0.00 34.95 34.78 2r85 s ARG 308 CO 0.28 -0.19 1.42 -1.25 -1.08 0.00 0.00 175.30 174.48 2r85 s PRO 309 N -3.92 4.30 -0.27 3.89 0.04 -1.26 -4.86 135.00 132.92 2r85 s PRO 309 Ca 0.09 2.07 -0.01 0.00 0.04 0.00 0.00 61.00 63.19 2r85 s PRO 309 Cb 0.07 -3.37 0.08 0.00 0.04 0.00 0.00 34.50 31.32 2r85 s PRO 309 CO -0.08 -0.50 0.06 0.08 0.04 0.00 0.00 177.00 176.59 2r85 s VAL 310 N 1.60 0.86 0.78 -0.36 1.01 -1.26 -4.69 120.40 118.35 2r85 s VAL 310 Ca 0.65 -1.13 -0.10 0.00 0.00 0.00 0.00 61.98 61.40 2r85 s VAL 310 Cb -0.36 -1.50 0.08 0.00 0.00 0.00 0.00 36.38 34.60 2r85 s VAL 310 CO 0.29 -0.46 1.13 -0.94 0.00 0.00 0.00 175.10 175.12 2r85 s SER 311 N 1.66 4.53 0.23 3.32 1.04 -1.24 -4.32 113.70 118.91 2r85 s SER 311 Ca 0.05 0.64 -0.07 0.00 0.48 0.00 0.00 55.95 57.04 2r85 s SER 311 Cb -0.17 -1.16 0.19 0.00 0.10 0.00 0.00 66.02 64.98 2r85 s SER 311 CO -0.18 -1.85 1.83 0.74 0.98 0.00 0.00 173.24 174.76 2r85 h THR 312 N -0.94 1.26 -0.38 2.02 2.02 -1.84 -0.16 112.91 114.90 2r85 h THR 312 Ca -0.45 -0.70 0.05 0.00 0.77 0.00 0.00 66.41 66.08 2r85 h THR 312 Cb 1.32 0.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 2r85 h THR 312 CO 0.63 0.31 0.10 1.23 0.37 0.00 0.00 175.52 178.15 2r85 h GLY 313 N 1.24 0.47 1.11 2.16 0.00 -1.91 0.12 103.07 106.26 2r85 h GLY 313 Ca 0.30 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.54 2r85 h GLY 313 CO -0.04 -0.01 0.31 -0.09 0.00 0.00 0.00 176.54 176.71 2r85 h ARG 314 N 0.24 1.13 -0.80 4.80 2.43 -1.70 -2.41 114.38 118.08 2r85 h ARG 314 Ca 0.18 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2r85 h ARG 314 Cb 0.19 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 2r85 h ARG 314 CO -0.22 0.92 0.37 -0.09 -1.51 0.00 0.00 179.97 179.44 2r85 h ARG 315 N 1.11 1.15 -0.01 0.20 9.65 -0.32 0.13 114.38 126.30 2r85 h ARG 315 Ca 0.26 -0.17 0.01 0.00 -1.10 0.00 0.00 59.98 58.97 2r85 h ARG 315 Cb 0.21 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 2r85 h ARG 315 CO -0.02 0.90 -0.06 0.82 2.80 0.00 0.00 179.97 184.40 2r85 h ILE 316 N 1.14 0.84 -0.77 1.20 2.04 -0.76 -1.05 117.51 120.14 2r85 h ILE 316 Ca 0.27 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.12 2r85 h ILE 316 Cb 0.14 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 2r85 h ILE 316 CO -0.03 0.00 0.42 0.00 0.00 0.00 0.00 178.15 178.54 2r85 h ALA 317 N 0.89 1.28 -0.58 1.87 0.00 -0.93 -1.26 119.26 120.54 2r85 h ALA 317 Ca 0.03 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.84 2r85 h ALA 317 Cb 0.14 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2r85 h ALA 317 CO -0.07 0.58 0.36 0.52 0.00 0.00 0.00 179.25 180.65 2r85 h MET 318 N 1.08 0.71 -0.32 0.00 2.86 -0.50 0.48 114.93 119.25 2r85 h MET 318 Ca 0.27 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 2r85 h MET 318 Cb 0.03 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 2r85 h MET 318 CO -0.04 0.47 0.19 1.49 1.06 0.00 0.00 176.91 180.07 2r85 h GLU 319 N 0.73 0.43 -0.39 1.72 4.57 -0.68 0.97 114.58 121.94 2r85 h GLU 319 Ca 0.22 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 2r85 h GLU 319 Cb -0.02 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 2r85 h GLU 319 CO -0.08 0.34 0.20 0.82 -1.18 0.00 0.00 179.01 179.11 2r85 h ILE 320 N 0.40 1.16 -0.10 2.32 2.04 -0.99 0.22 117.51 122.56 2r85 h ILE 320 Ca 0.11 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.57 2r85 h ILE 320 Cb 0.02 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2r85 h ILE 320 CO -0.02 0.17 -0.04 -0.09 0.00 0.00 0.00 178.15 178.16 2r85 h ARG 321 N 0.49 -0.03 -0.72 2.37 2.43 -0.76 -1.36 114.38 116.80 2r85 h ARG 321 Ca 0.13 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2r85 h ARG 321 Cb 0.08 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 2r85 h ARG 321 CO -0.02 -0.02 0.29 1.49 -1.51 0.00 0.00 179.97 180.20 2r85 h GLU 322 N -0.03 1.07 -0.59 0.20 4.81 -0.60 -0.03 114.58 119.41 2r85 h GLU 322 Ca 0.05 -0.19 0.06 0.00 -0.13 0.00 0.00 59.36 59.15 2r85 h GLU 322 Cb 0.11 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.26 2r85 h GLU 322 CO -0.12 0.88 0.30 0.00 -0.73 0.00 0.00 179.01 179.34 2r85 h ALA 323 N 1.14 0.78 -0.11 2.92 0.00 -0.67 0.37 119.26 123.69 2r85 h ALA 323 Ca 0.24 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2r85 h ALA 323 Cb 0.21 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2r85 h ALA 323 CO -0.02 -0.05 0.05 0.82 0.00 0.00 0.00 179.25 180.04 2r85 h ILE 324 N 0.56 1.14 -0.69 0.00 2.04 -0.82 0.12 117.51 119.86 2r85 h ILE 324 Ca 0.27 -0.42 0.11 0.00 1.00 0.00 0.00 64.86 65.83 2r85 h ILE 324 Cb 0.21 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 2r85 h ILE 324 CO -0.20 0.12 0.46 -0.33 0.00 0.00 0.00 178.15 178.20 2r85 h GLU 325 N 0.03 0.48 -0.52 2.37 5.08 -0.34 -2.27 114.58 119.40 2r85 h GLU 325 Ca 0.04 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.20 2r85 h GLU 325 Cb 0.16 -0.11 -0.10 0.00 0.50 0.00 0.00 28.75 29.20 2r85 h GLU 325 CO -0.00 0.31 0.13 0.09 -1.00 0.00 0.00 179.01 178.54 2r85 n ASN 326 N -4.48 3.90 -4.14 1.42 3.02 0.06 -4.98 115.26 110.06 2r85 n ASN 326 Ca 0.12 -3.34 -0.29 0.00 -0.03 0.00 0.00 54.58 51.05 2r85 n ASN 326 Cb 0.40 -0.67 -0.06 0.00 -0.61 0.00 0.00 39.78 38.84 2r85 n ASN 326 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2r85 n ASP 327 N -0.58 0.05 -1.74 6.41 2.03 -0.82 -4.87 116.55 117.03 2r85 n ASP 327 Ca 0.35 -1.13 0.03 0.00 0.52 0.00 0.00 54.79 54.56 2r85 n ASP 327 Cb 1.18 -2.39 0.03 0.00 -0.72 0.00 0.00 41.12 39.22 2r85 n ASP 327 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 2r85 n MET 328 N -4.47 0.36 -0.36 -0.67 0.00 0.34 -4.91 117.12 107.41 2r85 n MET 328 Ca -0.29 -2.31 -0.00 0.00 0.00 0.00 0.00 57.70 55.10 2r85 n MET 328 Cb 0.68 -0.33 0.15 0.00 0.00 0.00 0.00 33.22 33.71 2r85 n MET 328 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2r85 h LEU 329 N 1.30 1.09 -2.05 3.17 5.85 -1.88 -2.06 115.31 120.73 2r85 h LEU 329 Ca -0.21 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.56 2r85 h LEU 329 Cb 1.77 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.53 2r85 h LEU 329 CO 0.12 0.76 0.15 1.05 -0.34 0.00 0.00 178.44 180.18 2r85 h GLU 330 N 1.27 0.00 0.00 1.25 9.09 -1.91 -1.74 114.58 122.54 2r85 h GLU 330 Ca 0.38 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.76 2r85 h GLU 330 Cb -0.04 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.06 2r85 h GLU 330 CO -0.11 0.00 -0.15 0.87 0.05 0.00 0.00 179.01 179.67 2r85 h LYS 331 N 0.00 0.00 -0.12 1.06 1.57 -1.77 -2.99 116.57 114.31 2r85 h LYS 331 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2r85 h LYS 331 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2r85 h LYS 331 CO -0.00 0.15 0.00 1.33 -0.57 0.00 0.00 179.45 180.36 2r85 n VAL 332 N -3.52 0.19 -4.48 0.50 0.24 -0.66 -4.97 118.33 105.63 2r85 n VAL 332 Ca -0.01 -0.59 -0.30 0.00 -2.04 0.00 0.00 64.34 61.39 2r85 n VAL 332 Cb 0.30 1.22 -0.12 0.00 -1.47 0.00 0.00 33.84 33.77 2r85 n VAL 332 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2r85 s LEU 333 N -1.42 2.72 0.00 1.34 1.43 -1.13 -2.31 118.68 119.30 2r85 s LEU 333 Ca 0.24 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 2r85 s LEU 333 Cb 0.16 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.80 2r85 s LEU 333 CO 0.23 0.22 0.28 0.35 0.23 0.00 0.00 176.35 177.67