#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1og0 n GLU 20 N 0.00 1.53 -4.11 0.00 2.13 -1.26 -5.09 120.64 113.84 1og0 n GLU 20 Ca 0.00 -4.21 -0.23 0.00 0.66 0.00 0.00 57.16 53.38 1og0 n GLU 20 Cb 0.00 -2.13 -0.06 0.00 0.27 0.00 0.00 31.44 29.51 1og0 n GLU 20 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1og0 s GLU 21 N -1.23 2.42 -1.12 5.31 2.02 -1.26 -4.71 118.70 120.13 1og0 s GLU 21 Ca 0.28 -1.48 0.00 0.00 0.02 0.00 0.00 54.97 53.79 1og0 s GLU 21 Cb -0.00 -2.22 0.00 0.00 0.10 0.00 0.00 34.13 32.01 1og0 s GLU 21 CO -0.16 0.17 0.00 -0.25 0.02 0.00 0.00 175.26 175.03 1og0 n ASP 22 N -1.13 -3.74 0.25 -0.19 9.92 -1.26 -4.82 116.55 115.58 1og0 n ASP 22 Ca -0.04 0.22 0.12 0.00 -0.53 0.00 0.00 54.79 54.56 1og0 n ASP 22 Cb 0.61 -3.26 0.60 0.00 -0.64 0.00 0.00 41.12 38.43 1og0 n ASP 22 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 1og0 h VAL 23 N 0.00 0.50 -0.41 2.53 -1.51 -2.02 -2.39 116.25 112.95 1og0 h VAL 23 Ca -0.28 -0.82 0.00 0.00 -1.23 0.00 0.00 66.70 64.36 1og0 h VAL 23 Cb 1.11 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.84 1og0 h VAL 23 CO 0.35 0.16 0.00 0.54 -1.23 0.00 0.00 177.57 177.39 1og0 n ARG 24 N -3.45 2.94 -3.54 5.19 1.74 -1.26 -4.86 116.66 113.42 1og0 n ARG 24 Ca -0.01 -2.31 -0.41 0.00 -0.77 0.00 0.00 57.85 54.35 1og0 n ARG 24 Cb 0.34 -1.44 -0.09 0.00 -1.02 0.00 0.00 32.46 30.25 1og0 n ARG 24 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1og0 s ILE 25 N -1.31 4.49 0.39 0.55 -1.09 -0.90 -4.95 121.20 118.37 1og0 s ILE 25 Ca 0.31 -1.38 0.37 0.00 -2.23 0.00 0.00 60.65 57.73 1og0 s ILE 25 Cb 0.18 -3.76 0.40 0.00 -1.58 0.00 0.00 42.46 37.71 1og0 s ILE 25 CO 0.18 -0.57 2.16 -0.07 -1.23 0.00 0.00 174.94 175.41 1og0 h LEU 26 N 8.51 0.00 0.00 2.97 3.38 -1.89 -3.48 115.31 124.80 1og0 h LEU 26 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1og0 h LEU 26 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1og0 h LEU 26 CO 0.81 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.97 1og0 n GLY 27 N -0.55 3.83 3.84 0.83 0.00 -1.26 -5.14 105.19 106.74 1og0 n GLY 27 Ca -0.01 -1.11 -0.23 0.00 0.00 0.00 0.00 46.02 44.66 1og0 n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1og0 s TYR 28 N -2.00 3.20 0.03 1.61 1.51 -1.26 -5.13 117.35 115.30 1og0 s TYR 28 Ca 0.00 -0.05 0.04 0.00 -1.01 0.00 0.00 57.07 56.05 1og0 s TYR 28 Cb 0.00 -1.48 -0.02 0.00 -0.11 0.00 0.00 41.96 40.36 1og0 s TYR 28 CO 0.00 0.51 -0.12 -0.51 -1.11 0.00 0.00 175.55 174.32 1og0 s ASP 29 N -3.60 1.43 0.36 2.29 1.01 -1.26 -5.11 116.67 111.78 1og0 s ASP 29 Ca 0.33 -0.39 -0.28 0.00 0.71 0.00 0.00 52.55 52.91 1og0 s ASP 29 Cb -0.09 -0.10 -0.11 0.00 1.01 0.00 0.00 42.92 43.64 1og0 s ASP 29 CO 0.25 0.03 1.51 -2.16 0.21 0.00 0.00 175.17 175.01 1og0 s PRO 30 N -0.94 4.11 -0.10 8.23 0.04 -1.26 -5.00 135.00 140.08 1og0 s PRO 30 Ca 0.01 2.57 0.00 0.00 0.04 0.00 0.00 61.00 63.62 1og0 s PRO 30 Cb -0.07 -2.98 0.02 0.00 0.04 0.00 0.00 34.50 31.51 1og0 s PRO 30 CO 0.01 -0.55 -0.09 -1.17 0.04 0.00 0.00 177.00 175.23 1og0 s LEU 31 N -1.73 1.33 0.30 -3.56 2.96 -1.26 -4.93 118.68 111.79 1og0 s LEU 31 Ca 0.55 -0.31 -0.30 0.00 -0.22 0.00 0.00 54.13 53.85 1og0 s LEU 31 Cb -0.47 -0.86 -0.12 0.00 0.50 0.00 0.00 46.19 45.24 1og0 s LEU 31 CO 0.60 -0.08 1.46 0.00 -1.32 0.00 0.00 176.35 177.01 1og0 n ALA 32 N 4.64 1.83 -1.54 5.97 0.00 -1.26 -4.95 120.51 125.20 1og0 n ALA 32 Ca -0.16 0.38 -0.30 0.00 0.00 0.00 0.00 53.44 53.36 1og0 n ALA 32 Cb 0.50 -2.36 0.09 0.00 0.00 0.00 0.00 19.45 17.69 1og0 n ALA 32 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1og0 s SER 33 N 0.17 4.54 0.10 0.00 1.04 -1.26 -4.82 113.70 113.47 1og0 s SER 33 Ca 0.62 1.35 -0.27 0.00 0.48 0.00 0.00 55.95 58.13 1og0 s SER 33 Cb -0.55 -2.10 -0.11 0.00 0.10 0.00 0.00 66.02 63.35 1og0 s SER 33 CO 0.54 -1.94 1.66 -0.65 0.98 0.00 0.00 173.24 173.83 1og0 h PRO 34 N -1.07 -0.41 -0.76 4.02 0.11 -1.78 -0.23 132.00 131.89 1og0 h PRO 34 Ca -0.47 0.03 0.16 0.00 0.11 0.00 0.00 66.00 65.83 1og0 h PRO 34 Cb 1.26 0.09 -0.11 0.00 0.11 0.00 0.00 31.00 32.36 1og0 h PRO 34 CO 0.59 -0.27 0.24 0.00 -0.21 0.00 0.00 178.00 178.34 1og0 h ALA 35 N 0.33 1.03 -0.22 -0.75 0.00 -0.76 0.37 119.26 119.26 1og0 h ALA 35 Ca 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1og0 h ALA 35 Cb 0.40 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1og0 h ALA 35 CO -0.06 -0.30 0.07 1.25 0.00 0.00 0.00 179.25 180.21 1og0 h LEU 36 N 0.33 0.32 -0.78 0.00 5.85 -1.66 -2.70 115.31 116.67 1og0 h LEU 36 Ca 0.43 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 1og0 h LEU 36 Cb 0.72 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 1og0 h LEU 36 CO -0.48 0.44 0.38 0.25 -0.34 0.00 0.00 178.44 178.70 1og0 h LEU 37 N 0.18 1.01 -1.77 2.25 7.12 0.38 -1.37 115.31 123.10 1og0 h LEU 37 Ca 0.07 -0.13 0.00 0.00 0.13 0.00 0.00 57.88 57.95 1og0 h LEU 37 Cb 0.24 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.11 1og0 h LEU 37 CO -0.00 0.85 0.00 1.56 -0.13 0.00 0.00 178.44 180.72 1og0 h GLN 38 N 1.09 0.00 0.07 1.25 4.20 -0.19 0.21 115.11 121.74 1og0 h GLN 38 Ca 0.27 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.65 1og0 h GLN 38 Cb 0.10 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1og0 h GLN 38 CO -0.04 0.00 -1.81 0.28 -0.67 0.00 0.00 178.83 176.59 1og0 n VAL 39 N -2.70 1.67 -0.02 -0.54 0.31 -0.79 -3.46 118.33 112.80 1og0 n VAL 39 Ca -0.01 -0.43 -0.10 0.00 -0.01 0.00 0.00 64.34 63.80 1og0 n VAL 39 Cb 0.15 -1.82 -0.04 0.00 -0.91 0.00 0.00 33.84 31.22 1og0 n VAL 39 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1og0 h GLN 40 N -0.34 0.06 -3.18 5.55 4.20 -0.80 -3.27 115.11 117.32 1og0 h GLN 40 Ca -0.42 -0.00 -0.65 0.00 0.06 0.00 0.00 58.65 57.63 1og0 h GLN 40 Cb 1.77 -0.01 -0.39 0.00 0.30 0.00 0.00 27.48 29.14 1og0 h GLN 40 CO -0.05 0.04 -0.39 0.42 -0.67 0.00 0.00 178.83 178.18 1og0 s ILE 41 N -6.19 3.46 0.63 2.54 1.01 0.02 -5.09 121.20 117.58 1og0 s ILE 41 Ca -0.13 -4.10 -0.16 0.00 0.00 0.00 0.00 60.65 56.26 1og0 s ILE 41 Cb 0.09 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 1og0 s ILE 41 CO 0.68 -1.03 1.12 -2.16 0.00 0.00 0.00 174.94 173.54 1og0 s PRO 42 N -1.39 2.95 -0.18 2.79 0.04 -1.22 -4.62 135.00 133.38 1og0 s PRO 42 Ca 0.26 1.45 -0.17 0.00 0.04 0.00 0.00 61.00 62.58 1og0 s PRO 42 Cb -0.06 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1og0 s PRO 42 CO -0.15 -1.14 0.46 0.00 0.04 0.00 0.00 177.00 176.22 1og0 s ALA 43 N -2.18 3.53 0.75 8.56 0.00 -1.26 -5.02 121.76 126.14 1og0 s ALA 43 Ca 0.69 -0.38 -0.12 0.00 0.00 0.00 0.00 51.96 52.15 1og0 s ALA 43 Cb -0.21 -2.70 0.05 0.00 0.00 0.00 0.00 23.12 20.26 1og0 s ALA 43 CO 0.37 -0.25 1.11 0.95 0.00 0.00 0.00 175.76 177.94 1og0 s THR 44 N 1.21 3.13 0.42 0.00 -4.23 -1.26 -4.80 115.64 110.11 1og0 s THR 44 Ca 0.23 0.42 0.14 0.00 -1.18 0.00 0.00 61.69 61.29 1og0 s THR 44 Cb -0.15 -2.87 0.33 0.00 1.34 0.00 0.00 72.50 71.15 1og0 s THR 44 CO 0.09 -0.43 1.95 -0.65 -0.54 0.00 0.00 174.62 175.04 1og0 h PRO 45 N -0.83 0.44 0.07 3.99 0.11 -1.99 -1.02 132.00 132.76 1og0 h PRO 45 Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1og0 h PRO 45 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1og0 h PRO 45 CO 0.51 0.29 -0.04 1.15 -0.21 0.00 0.00 178.00 179.70 1og0 h THR 46 N 0.45 1.08 -0.55 -1.15 2.02 -1.91 -0.96 112.91 111.90 1og0 h THR 46 Ca 0.32 -0.55 0.11 0.00 0.77 0.00 0.00 66.41 67.05 1og0 h THR 46 Cb 0.63 1.45 -0.08 0.00 -1.74 0.00 0.00 68.15 68.40 1og0 h THR 46 CO -0.10 0.14 0.07 0.28 0.37 0.00 0.00 175.52 176.28 1og0 h SER 47 N -0.35 -0.10 0.28 4.18 0.02 -1.33 0.41 113.55 116.66 1og0 h SER 47 Ca -0.01 0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 1og0 h SER 47 Cb 0.30 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1og0 h SER 47 CO 0.02 -0.03 -0.33 -0.07 -1.14 0.00 0.00 176.83 175.28 1og0 h LEU 48 N 0.19 0.08 0.01 5.07 3.38 -1.18 -1.88 115.31 120.98 1og0 h LEU 48 Ca 0.29 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 58.04 1og0 h LEU 48 Cb 0.43 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 41.17 1og0 h LEU 48 CO -0.41 0.41 -0.75 -0.08 0.09 0.00 0.00 178.44 177.70 1og0 h GLU 49 N 0.07 0.49 -0.53 1.13 4.57 0.31 -2.95 114.58 117.67 1og0 h GLU 49 Ca 0.01 -0.54 0.07 0.00 -1.18 0.00 0.00 59.36 57.72 1og0 h GLU 49 Cb 0.62 0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 29.30 1og0 h GLU 49 CO 0.04 1.18 0.21 1.15 -1.18 0.00 0.00 179.01 180.41 1og0 h THR 50 N 0.03 0.85 -0.74 0.32 2.02 -0.09 -0.69 112.91 114.61 1og0 h THR 50 Ca -0.10 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1og0 h THR 50 Cb 1.45 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 68.23 1og0 h THR 50 CO 0.15 0.07 0.44 0.00 0.37 0.00 0.00 175.52 176.55 1og0 h ALA 51 N 1.34 0.94 -0.51 6.16 0.00 -1.39 -1.42 119.26 124.38 1og0 h ALA 51 Ca 0.25 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1og0 h ALA 51 Cb 0.25 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1og0 h ALA 51 CO -0.24 0.41 -0.05 0.87 0.00 0.00 0.00 179.25 180.24 1og0 h LYS 52 N 1.01 0.93 0.08 0.00 1.57 -1.23 -2.69 116.57 116.24 1og0 h LYS 52 Ca 0.26 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1og0 h LYS 52 Cb -0.03 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1og0 h LYS 52 CO -0.05 0.98 -0.04 -0.09 -0.57 0.00 0.00 179.45 179.68 1og0 h ARG 53 N 0.79 -0.10 -0.84 3.15 2.43 -0.90 -1.88 114.38 117.03 1og0 h ARG 53 Ca 0.14 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.46 1og0 h ARG 53 Cb 0.59 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 30.07 1og0 h ARG 53 CO 0.04 -0.02 0.42 0.78 -1.51 0.00 0.00 179.97 179.68 1og0 h GLY 54 N -0.16 1.37 1.00 2.80 0.00 -1.20 -0.10 103.07 106.78 1og0 h GLY 54 Ca -0.01 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 1og0 h GLY 54 CO 0.02 -0.06 0.02 3.21 0.00 0.00 0.00 176.54 179.73 1og0 h ARG 55 N 0.59 0.85 0.18 4.80 3.08 -1.22 -0.79 114.38 121.88 1og0 h ARG 55 Ca 0.46 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 1og0 h ARG 55 Cb 0.68 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1og0 h ARG 55 CO -0.38 0.88 -0.09 0.00 -1.07 0.00 0.00 179.97 179.32 1og0 h ARG 56 N 0.71 -0.24 -0.45 0.04 3.08 -0.36 0.24 114.38 117.40 1og0 h ARG 56 Ca 0.14 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.22 1og0 h ARG 56 Cb 0.49 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 1og0 h ARG 56 CO 0.02 -0.14 0.29 0.93 -1.07 0.00 0.00 179.97 180.00 1og0 h GLU 57 N -0.27 0.56 -0.66 0.04 5.08 -1.04 -0.99 114.58 117.30 1og0 h GLU 57 Ca -0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1og0 h GLU 57 Cb 0.21 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1og0 h GLU 57 CO 0.04 0.37 0.42 0.00 -1.00 0.00 0.00 179.01 178.84 1og0 h ALA 58 N 1.18 0.84 -0.24 3.43 0.00 -1.01 -1.81 119.26 121.65 1og0 h ALA 58 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1og0 h ALA 58 Cb -0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1og0 h ALA 58 CO -0.05 0.29 0.15 0.82 0.00 0.00 0.00 179.25 180.46 1og0 h ILE 59 N 0.90 1.08 -0.74 0.00 2.04 -0.53 -1.55 117.51 118.70 1og0 h ILE 59 Ca 0.24 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1og0 h ILE 59 Cb -0.06 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1og0 h ILE 59 CO -0.05 0.07 0.47 0.44 0.00 0.00 0.00 178.15 179.08 1og0 h ASP 60 N 0.31 0.87 -0.15 1.72 3.32 -0.92 -2.04 116.42 119.54 1og0 h ASP 60 Ca 0.09 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1og0 h ASP 60 Cb -0.01 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 1og0 h ASP 60 CO -0.02 0.65 -0.03 0.40 -1.72 0.00 0.00 179.24 178.52 1og0 h ILE 61 N 1.01 1.28 0.00 0.35 2.04 -1.14 0.73 117.51 121.78 1og0 h ILE 61 Ca 0.27 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1og0 h ILE 61 Cb -0.08 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1og0 h ILE 61 CO -0.05 0.28 0.00 2.30 0.00 0.00 0.00 178.15 180.68 1og0 n ILE 62 N -4.71 0.65 0.93 -0.67 -5.35 -0.60 -2.80 119.36 106.82 1og0 n ILE 62 Ca -0.06 0.04 0.11 0.00 -0.27 0.00 0.00 62.75 62.58 1og0 n ILE 62 Cb 0.25 -0.85 0.06 0.00 -1.74 0.00 0.00 39.64 37.36 1og0 n ILE 62 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1og0 n THR 63 N -1.98 0.00 -0.05 7.28 -2.24 -0.78 -1.30 114.28 115.22 1og0 n THR 63 Ca 0.04 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1og0 n THR 63 Cb 0.30 1.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 1og0 n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1og0 n GLY 64 N 1.30 0.51 0.18 3.38 0.00 -1.03 -4.95 105.19 104.58 1og0 n GLY 64 Ca 0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.27 1og0 n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1og0 h LYS 65 N 3.97 0.00 -4.59 1.61 1.57 -1.13 -3.43 116.57 114.57 1og0 h LYS 65 Ca 0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.37 1og0 h LYS 65 Cb 0.00 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 32.01 1og0 h LYS 65 CO 0.00 0.00 -0.78 0.34 -0.57 0.00 0.00 179.45 178.44 1og0 s ASP 66 N -4.95 1.14 0.00 0.86 2.15 -0.85 -4.93 116.67 110.08 1og0 s ASP 66 Ca 0.04 -0.17 0.15 0.00 0.43 0.00 0.00 52.55 53.00 1og0 s ASP 66 Cb 0.09 -0.27 0.66 0.00 -0.30 0.00 0.00 42.92 43.11 1og0 s ASP 66 CO 0.50 0.07 1.46 -0.90 -0.17 0.00 0.00 175.17 176.13 1og0 n ASP 67 N 3.20 1.01 -4.84 -0.34 5.68 -1.26 -4.50 116.55 115.50 1og0 n ASP 67 Ca -0.17 -1.72 -0.29 0.00 -0.50 0.00 0.00 54.79 52.11 1og0 n ASP 67 Cb 0.55 -0.09 0.10 0.00 -1.14 0.00 0.00 41.12 40.54 1og0 n ASP 67 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1og0 s ARG 68 N -1.83 1.77 -0.16 0.11 0.52 -1.26 -4.95 118.95 113.16 1og0 s ARG 68 Ca 0.25 0.11 -0.03 0.00 -0.52 0.00 0.00 55.73 55.54 1og0 s ARG 68 Cb 0.13 -1.93 -0.02 0.00 0.52 0.00 0.00 34.95 33.65 1og0 s ARG 68 CO 0.19 -1.73 -0.06 0.08 0.02 0.00 0.00 175.30 173.81 1og0 s VAL 69 N -3.55 3.63 -0.08 3.52 1.01 -0.89 -4.90 120.40 119.14 1og0 s VAL 69 Ca 0.63 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 1og0 s VAL 69 Cb -0.11 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1og0 s VAL 69 CO 0.50 0.49 1.20 -0.22 0.00 0.00 0.00 175.10 177.06 1og0 s LEU 70 N 0.53 4.26 -0.22 3.92 2.96 0.19 -0.86 118.68 129.46 1og0 s LEU 70 Ca -0.04 1.77 0.01 0.00 -0.22 0.00 0.00 54.13 55.65 1og0 s LEU 70 Cb -0.15 -3.55 0.04 0.00 0.50 0.00 0.00 46.19 43.02 1og0 s LEU 70 CO 0.03 -0.60 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.63 1og0 s VAL 71 N 2.40 2.26 -0.58 1.68 1.01 0.97 -0.80 120.40 127.34 1og0 s VAL 71 Ca 0.55 -1.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.18 1og0 s VAL 71 Cb -0.24 -2.13 0.14 0.00 0.00 0.00 0.00 36.38 34.16 1og0 s VAL 71 CO 0.20 0.27 0.52 -0.63 0.00 0.00 0.00 175.10 175.46 1og0 s ILE 72 N 1.23 5.08 0.06 2.22 -1.09 -0.70 -0.68 121.20 127.32 1og0 s ILE 72 Ca -0.01 -1.73 0.07 0.00 -2.23 0.00 0.00 60.65 56.75 1og0 s ILE 72 Cb -0.16 -4.25 -0.03 0.00 -1.58 0.00 0.00 42.46 36.44 1og0 s ILE 72 CO -0.08 -0.88 -0.20 0.54 -1.23 0.00 0.00 174.94 173.09 1og0 s VAL 73 N 1.30 1.58 0.00 2.92 0.11 -0.60 -1.11 120.40 124.60 1og0 s VAL 73 Ca 0.06 -1.30 0.00 0.00 -2.93 0.00 0.00 61.98 57.82 1og0 s VAL 73 Cb -0.26 -1.41 0.00 0.00 -1.53 0.00 0.00 36.38 33.18 1og0 s VAL 73 CO 0.00 0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.45 1og0 n GLY 74 N 1.56 -0.11 3.39 6.54 0.00 -0.57 -0.16 105.19 115.84 1og0 n GLY 74 Ca -0.18 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 43.93 1og0 n GLY 74 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1og0 n PRO 75 N -1.38 -0.04 -0.17 1.61 -0.02 -0.13 -2.01 135.00 132.85 1og0 n PRO 75 Ca 0.00 0.03 -0.10 0.00 -2.02 0.00 0.00 63.50 61.41 1og0 n PRO 75 Cb 0.00 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1og0 n PRO 75 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1og0 s SER 77 N -6.42 -0.54 -0.20 0.00 1.04 -1.26 -4.53 113.70 101.79 1og0 s SER 77 Ca -0.12 0.69 -0.12 0.00 0.48 0.00 0.00 55.95 56.87 1og0 s SER 77 Cb 0.12 0.65 -0.05 0.00 0.10 0.00 0.00 66.02 66.84 1og0 s SER 77 CO 0.83 -0.48 0.23 -0.63 0.98 0.00 0.00 173.24 174.17 1og0 s ILE 78 N -0.88 5.33 0.00 -1.02 -1.09 -0.25 -4.82 121.20 118.47 1og0 s ILE 78 Ca -0.09 0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.70 1og0 s ILE 78 Cb -0.02 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 1og0 s ILE 78 CO 0.07 0.37 0.21 0.00 -1.23 0.00 0.00 174.94 174.35 1og0 n HIS 79 N 3.90 0.00 -3.63 3.97 1.44 -1.26 -4.50 115.22 115.14 1og0 n HIS 79 Ca -0.13 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.31 1og0 n HIS 79 Cb 0.52 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.46 1og0 n HIS 79 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1og0 s ASP 80 N -0.04 2.51 0.37 4.39 -1.08 -1.26 -4.98 116.67 116.58 1og0 s ASP 80 Ca 0.00 -0.69 0.13 0.00 -0.52 0.00 0.00 52.55 51.48 1og0 s ASP 80 Cb 0.00 -0.31 0.71 0.00 -1.46 0.00 0.00 42.92 41.86 1og0 s ASP 80 CO 0.00 -0.35 1.81 -0.07 0.52 0.00 0.00 175.17 177.08 1og0 h LEU 81 N 8.39 0.00 0.37 -1.34 4.07 -1.98 -1.13 115.31 123.68 1og0 h LEU 81 Ca -0.15 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.79 1og0 h LEU 81 Cb 1.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.88 1og0 h LEU 81 CO 0.31 0.39 -0.18 -0.33 -1.08 0.00 0.00 178.44 177.55 1og0 h GLU 82 N 0.00 -0.47 -0.79 1.13 5.08 -1.99 -1.80 114.58 115.74 1og0 h GLU 82 Ca -0.00 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1og0 h GLU 82 Cb 0.71 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.02 1og0 h GLU 82 CO 0.05 -0.15 0.52 0.00 -1.00 0.00 0.00 179.01 178.42 1og0 h ALA 83 N -0.51 1.61 -0.09 3.43 0.00 -1.98 0.16 119.26 121.88 1og0 h ALA 83 Ca -0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1og0 h ALA 83 Cb 0.54 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1og0 h ALA 83 CO 0.08 0.28 -0.33 0.00 0.00 0.00 0.00 179.25 179.27 1og0 h ALA 84 N 1.57 1.27 -0.09 0.00 0.00 -1.20 -2.03 119.26 118.78 1og0 h ALA 84 Ca 0.33 -0.34 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 1og0 h ALA 84 Cb 0.19 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1og0 h ALA 84 CO -0.11 0.50 -0.85 0.37 0.00 0.00 0.00 179.25 179.16 1og0 h GLN 85 N 0.15 0.69 -0.27 0.00 5.75 -0.10 -1.08 115.11 120.25 1og0 h GLN 85 Ca 0.02 -0.62 -0.01 0.00 -0.15 0.00 0.00 58.65 57.89 1og0 h GLN 85 Cb 0.67 0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.35 1og0 h GLN 85 CO 0.05 1.22 0.12 1.49 -2.65 0.00 0.00 178.83 179.06 1og0 h GLU 86 N 0.44 0.40 -0.63 1.69 4.81 -1.08 -1.69 114.58 118.53 1og0 h GLU 86 Ca -0.07 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1og0 h GLU 86 Cb 1.48 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.76 1og0 h GLU 86 CO 0.17 0.42 0.39 -0.92 -0.73 0.00 0.00 179.01 178.34 1og0 h TYR 87 N 0.30 0.74 -0.68 0.92 5.03 -1.36 -2.08 116.97 119.84 1og0 h TYR 87 Ca 0.09 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.47 1og0 h TYR 87 Cb 0.16 -0.24 -0.05 0.00 1.55 0.00 0.00 36.73 38.15 1og0 h TYR 87 CO -0.01 0.43 0.40 0.00 -1.32 0.00 0.00 178.16 177.66 1og0 h ALA 88 N 1.27 0.89 -0.31 1.82 0.00 -0.82 0.47 119.26 122.58 1og0 h ALA 88 Ca 0.25 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1og0 h ALA 88 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1og0 h ALA 88 CO -0.10 0.13 0.16 -0.07 0.00 0.00 0.00 179.25 179.37 1og0 h LEU 89 N 0.77 0.25 0.03 0.00 -0.00 -0.67 0.30 115.31 115.99 1og0 h LEU 89 Ca 0.29 0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 58.17 1og0 h LEU 89 Cb 0.10 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.72 1og0 h LEU 89 CO -0.14 0.19 -0.02 0.03 -0.00 0.00 0.00 178.44 178.50 1og0 h ARG 90 N 0.34 -0.04 -0.02 1.13 3.08 -0.78 -1.78 114.38 116.30 1og0 h ARG 90 Ca 0.13 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 1og0 h ARG 90 Cb 0.03 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1og0 h ARG 90 CO -0.08 -0.02 -0.16 1.25 -1.07 0.00 0.00 179.97 179.89 1og0 h LEU 91 N -0.05 0.02 -0.27 3.04 5.85 -0.65 -2.34 115.31 120.90 1og0 h LEU 91 Ca -0.00 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 1og0 h LEU 91 Cb 0.04 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1og0 h LEU 91 CO 0.01 0.19 -0.22 0.50 -0.34 0.00 0.00 178.44 178.58 1og0 h LYS 92 N 0.02 0.63 0.38 1.25 1.63 0.04 -0.04 116.57 120.49 1og0 h LYS 92 Ca 0.00 -0.31 -0.02 0.00 -0.85 0.00 0.00 60.65 59.47 1og0 h LYS 92 Cb 0.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 1og0 h LYS 92 CO 0.02 0.91 -0.18 0.87 -3.45 0.00 0.00 179.45 177.62 1og0 h LYS 93 N 0.36 -0.49 -0.58 1.90 1.57 -0.99 -2.18 116.57 116.16 1og0 h LYS 93 Ca 0.05 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.96 1og0 h LYS 93 Cb 0.76 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 1og0 h LYS 93 CO 0.06 -0.29 0.39 1.25 -0.57 0.00 0.00 179.45 180.29 1og0 h LEU 94 N -0.58 0.35 -1.44 2.94 5.85 -1.46 0.14 115.31 121.12 1og0 h LEU 94 Ca -0.05 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1og0 h LEU 94 Cb 0.43 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1og0 h LEU 94 CO 0.09 0.22 0.31 -1.28 -0.34 0.00 0.00 178.44 177.43 1og0 h SER 95 N 0.39 0.61 -0.31 1.25 0.87 -0.39 -2.14 113.55 113.83 1og0 h SER 95 Ca 0.26 -0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.67 1og0 h SER 95 Cb 0.52 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1og0 h SER 95 CO -0.07 0.47 -0.27 0.44 -0.53 0.00 0.00 176.83 176.86 1og0 h ASP 96 N 0.70 0.85 -0.08 6.23 3.32 -0.22 0.16 116.42 127.38 1og0 h ASP 96 Ca 0.19 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 1og0 h ASP 96 Cb -0.03 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.28 1og0 h ASP 96 CO -0.04 1.07 0.00 -0.08 -1.72 0.00 0.00 179.24 178.48 1og0 h GLU 97 N 0.70 0.13 -0.06 3.56 4.81 -1.21 -3.19 114.58 119.33 1og0 h GLU 97 Ca 0.08 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1og0 h GLU 97 Cb 0.81 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1og0 h GLU 97 CO 0.07 0.39 0.00 1.28 -0.73 0.00 0.00 179.01 180.02 1og0 n LEU 98 N -4.85 1.48 -0.43 1.64 4.77 -0.89 -4.34 117.00 114.37 1og0 n LEU 98 Ca -0.07 -0.53 0.36 0.00 -0.03 0.00 0.00 56.01 55.74 1og0 n LEU 98 Cb 0.19 -0.03 0.65 0.00 -2.33 0.00 0.00 43.42 41.90 1og0 n LEU 98 CO 0.35 0.27 1.27 0.07 -1.33 0.00 0.00 177.39 178.02 1og0 h LYS 99 N 2.21 0.13 0.00 3.23 2.10 -0.67 0.79 116.57 124.35 1og0 h LYS 99 Ca 0.00 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 1og0 h LYS 99 Cb 0.47 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.77 1og0 h LYS 99 CO 0.00 0.08 -0.04 0.78 -2.00 0.00 0.00 179.45 178.28 1og0 h GLY 100 N 0.13 0.00 0.00 0.07 0.00 -1.83 -3.37 103.07 98.07 1og0 h GLY 100 Ca 0.75 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 48.06 1og0 h GLY 100 CO -0.29 0.00 -1.07 1.22 0.00 0.00 0.00 176.54 176.40 1og0 n ASP 101 N -3.18 4.11 -4.26 0.19 8.00 0.26 -4.93 116.55 116.75 1og0 n ASP 101 Ca -0.00 -0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.21 1og0 n ASP 101 Cb 0.28 0.11 -0.16 0.00 -0.02 0.00 0.00 41.12 41.33 1og0 n ASP 101 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1og0 s LEU 102 N -4.83 2.06 -0.49 0.64 1.43 -0.39 -2.10 118.68 115.00 1og0 s LEU 102 Ca -0.01 -0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 52.47 1og0 s LEU 102 Cb 0.00 -1.16 0.06 0.00 0.03 0.00 0.00 46.19 45.12 1og0 s LEU 102 CO 0.03 0.27 0.56 -0.55 0.23 0.00 0.00 176.35 176.89 1og0 s SER 103 N -0.65 6.21 -0.11 2.29 0.15 -0.04 -4.29 113.70 117.25 1og0 s SER 103 Ca 0.09 -0.94 -0.16 0.00 0.70 0.00 0.00 55.95 55.64 1og0 s SER 103 Cb -0.09 -2.26 -0.05 0.00 -1.71 0.00 0.00 66.02 61.91 1og0 s SER 103 CO -0.00 -0.80 0.39 -0.63 1.20 0.00 0.00 173.24 173.39 1og0 s ILE 104 N 2.39 5.21 -0.07 6.45 1.01 -1.26 -0.02 121.20 134.91 1og0 s ILE 104 Ca 0.13 0.77 0.01 0.00 0.00 0.00 0.00 60.65 61.56 1og0 s ILE 104 Cb -0.20 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.57 1og0 s ILE 104 CO 0.11 0.40 -0.08 -0.63 0.00 0.00 0.00 174.94 174.74 1og0 s ILE 105 N 0.26 0.87 0.27 2.92 1.01 0.15 -4.50 121.20 122.17 1og0 s ILE 105 Ca 0.22 -0.27 -0.29 0.00 0.00 0.00 0.00 60.65 60.30 1og0 s ILE 105 Cb -0.14 -0.86 -0.09 0.00 0.01 0.00 0.00 42.46 41.37 1og0 s ILE 105 CO 0.08 0.31 1.16 -0.32 0.00 0.00 0.00 174.94 176.17 1og0 s MET 106 N 1.11 4.56 -0.91 2.79 -2.45 -0.45 -1.56 119.30 122.39 1og0 s MET 106 Ca -0.07 1.90 -0.23 0.00 -1.25 0.00 0.00 55.69 56.04 1og0 s MET 106 Cb -0.14 -3.18 0.07 0.00 1.25 0.00 0.00 34.83 32.83 1og0 s MET 106 CO -0.01 0.08 1.29 0.50 1.05 0.00 0.00 175.02 177.93 1og0 s ARG 107 N -1.28 3.46 -1.07 4.11 3.52 0.77 -1.06 118.95 127.40 1og0 s ARG 107 Ca 0.47 -1.06 -0.09 0.00 -0.13 0.00 0.00 55.73 54.92 1og0 s ARG 107 Cb -0.34 -4.91 0.27 0.00 -1.56 0.00 0.00 34.95 28.41 1og0 s ARG 107 CO 0.42 -2.06 1.05 0.00 -0.81 0.00 0.00 175.30 173.91 1og0 s ALA 108 N 4.53 4.64 0.21 6.12 0.00 -0.36 -3.78 121.76 133.13 1og0 s ALA 108 Ca 0.38 -3.80 -0.06 0.00 0.00 0.00 0.00 51.96 48.48 1og0 s ALA 108 Cb -0.04 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.52 1og0 s ALA 108 CO -0.03 -2.20 0.48 0.71 0.00 0.00 0.00 175.76 174.72 1og0 s TYR 109 N -1.15 3.46 -0.13 0.00 1.51 -1.26 -4.34 117.35 115.44 1og0 s TYR 109 Ca 0.29 0.66 0.19 0.00 -1.01 0.00 0.00 57.07 57.20 1og0 s TYR 109 Cb -0.10 -2.10 -0.25 0.00 -0.11 0.00 0.00 41.96 39.40 1og0 s TYR 109 CO -0.08 0.31 0.37 1.28 -1.11 0.00 0.00 175.55 176.32 1og0 n LEU 110 N -0.32 0.22 -3.65 -1.29 7.99 -1.26 -1.09 117.00 117.60 1og0 n LEU 110 Ca -0.01 0.10 -0.04 0.00 -0.01 0.00 0.00 56.01 56.04 1og0 n LEU 110 Cb 0.53 0.25 -0.01 0.00 -0.11 0.00 0.00 43.42 44.07 1og0 n LEU 110 CO 0.47 0.27 0.77 -1.83 -1.51 0.00 0.00 177.39 175.57 1og0 s GLU 111 N -2.89 0.93 0.48 3.23 1.03 -1.26 -0.55 118.70 119.66 1og0 s GLU 111 Ca -0.08 -0.46 -0.01 0.00 0.03 0.00 0.00 54.97 54.45 1og0 s GLU 111 Cb 0.09 0.35 0.10 0.00 -0.80 0.00 0.00 34.13 33.86 1og0 s GLU 111 CO 0.85 -0.42 0.65 1.17 -1.33 0.00 0.00 175.26 176.18 1og0 n LYS 112 N -0.38 0.11 0.00 -4.83 3.00 -1.26 -4.96 118.16 109.83 1og0 n LYS 112 Ca -0.07 -1.73 0.00 0.00 -0.00 0.00 0.00 58.31 56.51 1og0 n LYS 112 Cb 0.61 -0.45 0.00 0.00 0.00 0.00 0.00 35.03 35.19 1og0 n LYS 112 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1og0 n PRO 113 N -2.22 0.96 -0.22 1.64 -0.04 -1.26 -4.97 135.00 128.89 1og0 n PRO 113 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1og0 n PRO 113 Cb 0.38 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1og0 n PRO 113 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 1og0 n TRP 119 N 0.24 0.00 0.07 0.54 -0.00 -1.26 -5.21 117.44 111.81 1og0 n TRP 119 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1og0 n TRP 119 Cb 0.34 0.00 0.01 0.00 -0.00 0.00 0.00 31.31 31.66 1og0 n TRP 119 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1og0 n LYS 120 N 0.34 0.04 0.00 5.87 5.02 -1.26 -4.89 118.16 123.27 1og0 n LYS 120 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1og0 n LYS 120 Cb 0.00 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1og0 n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1og0 n GLY 121 N -0.59 2.78 0.14 0.72 0.00 -1.26 -4.62 105.19 102.36 1og0 n GLY 121 Ca 0.00 -2.04 -0.15 0.00 0.00 0.00 0.00 46.02 43.82 1og0 n GLY 121 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1og0 h LEU 122 N 0.00 0.47 -0.02 0.99 5.85 -1.05 -2.56 115.31 118.98 1og0 h LEU 122 Ca 0.00 -0.66 -0.00 0.00 0.84 0.00 0.00 57.88 58.06 1og0 h LEU 122 Cb 0.00 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 1og0 h LEU 122 CO 0.00 1.05 -0.00 0.40 -0.34 0.00 0.00 178.44 179.55 1og0 h ILE 123 N -0.08 1.28 0.00 4.05 2.04 -1.81 -0.75 117.51 122.24 1og0 h ILE 123 Ca -0.03 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 64.99 1og0 h ILE 123 Cb 1.05 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1og0 h ILE 123 CO 0.08 0.22 0.00 -3.20 0.00 0.00 0.00 178.15 175.25 1og0 n ASN 124 N -4.90 0.00 0.00 1.72 5.15 -1.25 -3.53 115.26 112.45 1og0 n ASN 124 Ca -0.08 -0.49 0.00 0.00 -0.60 0.00 0.00 54.58 53.41 1og0 n ASN 124 Cb 0.20 -0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.39 1og0 n ASN 124 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1og0 n ASP 125 N -1.05 0.00 0.00 1.20 2.03 -0.97 -3.13 116.55 114.63 1og0 n ASP 125 Ca 0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1og0 n ASP 125 Cb 0.08 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 1og0 n ASP 125 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1og0 n PRO 126 N 0.00 0.00 -0.14 -0.67 -0.04 -0.30 -1.58 135.00 132.28 1og0 n PRO 126 Ca 0.00 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 1og0 n PRO 126 Cb 0.00 -1.56 0.18 0.00 -0.04 0.00 0.00 33.50 32.08 1og0 n PRO 126 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1og0 n ASP 127 N -1.42 3.32 -3.76 3.54 8.00 -1.26 -5.00 116.55 119.96 1og0 n ASP 127 Ca 0.00 -1.98 -0.29 0.00 0.71 0.00 0.00 54.79 53.22 1og0 n ASP 127 Cb 0.06 -0.18 0.02 0.00 -0.02 0.00 0.00 41.12 41.00 1og0 n ASP 127 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1og0 n VAL 128 N 1.44 -4.50 0.00 2.53 0.24 -0.61 -4.88 118.33 112.54 1og0 n VAL 128 Ca 0.18 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1og0 n VAL 128 Cb 0.60 -3.53 0.00 0.00 -1.47 0.00 0.00 33.84 29.44 1og0 n VAL 128 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1og0 n ASN 129 N -2.41 0.00 -2.97 -1.34 0.23 -1.26 -4.87 115.26 102.64 1og0 n ASN 129 Ca -0.18 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 53.77 1og0 n ASN 129 Cb 0.62 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 38.33 1og0 n ASN 129 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1og0 n ASN 130 N 0.00 -7.62 0.00 0.53 4.13 -1.26 -4.98 115.26 106.06 1og0 n ASN 130 Ca 0.00 0.34 0.00 0.00 1.68 0.00 0.00 54.58 56.60 1og0 n ASN 130 Cb 0.00 -4.93 0.00 0.00 -1.54 0.00 0.00 39.78 33.31 1og0 n ASN 130 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1og0 n THR 131 N -0.58 0.00 -2.61 3.41 -1.04 -1.26 -5.01 114.28 107.19 1og0 n THR 131 Ca 0.07 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.94 1og0 n THR 131 Cb 0.49 -0.74 -0.00 0.00 -1.82 0.00 0.00 70.33 68.26 1og0 n THR 131 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1og0 n PHE 132 N -1.85 -1.51 -1.99 -1.42 3.72 -1.18 -4.83 117.46 108.40 1og0 n PHE 132 Ca 0.00 0.09 -0.42 0.00 -0.05 0.00 0.00 57.45 57.08 1og0 n PHE 132 Cb 0.40 -2.80 -0.00 0.00 -0.94 0.00 0.00 39.48 36.14 1og0 n PHE 132 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1og0 n ASN 133 N -1.90 5.56 -0.26 4.37 2.85 -1.26 -4.81 115.26 119.82 1og0 n ASN 133 Ca -0.12 -2.97 0.17 0.00 -0.11 0.00 0.00 54.58 51.55 1og0 n ASN 133 Cb 0.60 -1.52 0.47 0.00 1.24 0.00 0.00 39.78 40.56 1og0 n ASN 133 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1og0 h ILE 134 N 3.57 0.71 -0.50 -1.44 5.03 -1.84 0.27 117.51 123.30 1og0 h ILE 134 Ca 0.55 -0.17 -0.00 0.00 -0.12 0.00 0.00 64.86 65.12 1og0 h ILE 134 Cb 0.55 0.17 -0.02 0.00 -3.03 0.00 0.00 36.82 34.48 1og0 h ILE 134 CO 1.70 0.09 0.31 0.78 -0.68 0.00 0.00 178.15 180.36 1og0 h ASN 135 N 0.50 0.59 0.14 1.72 2.35 -1.87 0.30 115.58 119.32 1og0 h ASN 135 Ca 0.48 -0.04 -0.15 0.00 -0.55 0.00 0.00 56.30 56.03 1og0 h ASN 135 Cb 1.06 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.27 1og0 h ASN 135 CO -0.21 0.46 -0.56 0.50 -1.65 0.00 0.00 177.43 175.98 1og0 h LYS 136 N 0.67 0.44 -0.34 0.81 3.64 -1.48 -2.56 116.57 117.75 1og0 h LYS 136 Ca 0.18 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1og0 h LYS 136 Cb -0.03 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1og0 h LYS 136 CO -0.04 0.88 0.21 0.78 -2.27 0.00 0.00 179.45 179.01 1og0 h GLY 137 N 1.19 0.48 1.73 5.01 0.00 0.19 0.32 103.07 111.99 1og0 h GLY 137 Ca 0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 1og0 h GLY 137 CO 0.10 0.19 -0.07 1.41 0.00 0.00 0.00 176.54 178.16 1og0 h LEU 138 N 0.44 0.32 -0.02 3.11 3.38 -0.37 0.22 115.31 122.39 1og0 h LEU 138 Ca 0.12 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1og0 h LEU 138 Cb -0.01 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1og0 h LEU 138 CO -0.02 0.44 -0.00 1.56 0.09 0.00 0.00 178.44 180.51 1og0 h GLN 139 N 0.33 0.04 0.12 1.13 4.20 -0.92 -0.58 115.11 119.42 1og0 h GLN 139 Ca 0.07 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1og0 h GLN 139 Cb 0.34 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1og0 h GLN 139 CO 0.02 0.35 -0.11 0.77 -0.67 0.00 0.00 178.83 179.19 1og0 h SER 140 N -0.28 -0.28 -0.29 1.46 0.02 -0.60 0.19 113.55 113.77 1og0 h SER 140 Ca 0.01 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.04 1og0 h SER 140 Cb 0.34 0.09 -0.08 0.00 0.14 0.00 0.00 62.40 62.89 1og0 h SER 140 CO 0.00 -0.17 -0.40 0.00 -1.14 0.00 0.00 176.83 175.13 1og0 h ALA 141 N 0.62 -0.44 -0.42 3.77 0.00 -0.51 0.23 119.26 122.51 1og0 h ALA 141 Ca 0.00 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1og0 h ALA 141 Cb 0.23 0.80 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1og0 h ALA 141 CO -0.02 -0.86 -0.09 -0.09 0.00 0.00 0.00 179.25 178.20 1og0 h ARG 142 N -0.38 0.74 -0.19 0.00 2.43 -0.84 -1.54 114.38 114.61 1og0 h ARG 142 Ca 0.12 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1og0 h ARG 142 Cb 0.59 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1og0 h ARG 142 CO -0.49 0.81 0.10 0.37 -1.51 0.00 0.00 179.97 179.25 1og0 h GLN 143 N 0.68 0.26 0.14 0.20 5.75 0.02 -0.83 115.11 121.33 1og0 h GLN 143 Ca 0.12 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.60 1og0 h GLN 143 Cb 0.54 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.00 1og0 h GLN 143 CO 0.03 0.26 -0.44 1.25 -2.65 0.00 0.00 178.83 177.29 1og0 h LEU 144 N 0.19 -1.30 -1.15 -2.39 5.85 -0.30 0.34 115.31 116.55 1og0 h LEU 144 Ca 0.07 0.14 0.15 0.00 0.84 0.00 0.00 57.88 59.07 1og0 h LEU 144 Cb 0.08 0.48 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 1og0 h LEU 144 CO -0.01 -0.51 0.60 -0.26 -0.34 0.00 0.00 178.44 177.92 1og0 h PHE 145 N -0.69 0.97 -0.22 1.25 -1.00 -1.16 -0.45 116.94 115.64 1og0 h PHE 145 Ca 0.01 0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.75 1og0 h PHE 145 Cb 0.70 -0.30 -0.00 0.00 3.61 0.00 0.00 35.95 39.96 1og0 h PHE 145 CO -0.37 0.34 -0.14 0.28 -1.61 0.00 0.00 178.31 176.80 1og0 h VAL 146 N 0.80 1.31 -0.44 -0.55 2.07 -0.02 -2.02 116.25 117.40 1og0 h VAL 146 Ca 0.49 -1.24 0.06 0.00 0.82 0.00 0.00 66.70 66.83 1og0 h VAL 146 Cb 0.69 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 1og0 h VAL 146 CO -0.26 0.38 0.15 0.78 0.02 0.00 0.00 177.57 178.64 1og0 h ASN 147 N 0.17 0.14 0.45 0.57 2.35 0.85 0.05 115.58 120.17 1og0 h ASN 147 Ca 0.04 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1og0 h ASN 147 Cb 0.65 0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.07 1og0 h ASN 147 CO 0.04 0.11 -0.22 -0.07 -1.65 0.00 0.00 177.43 175.64 1og0 h LEU 148 N 0.31 -0.52 -2.30 1.61 3.38 -1.12 -3.12 115.31 113.55 1og0 h LEU 148 Ca 0.21 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.22 1og0 h LEU 148 Cb 0.21 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1og0 h LEU 148 CO -0.22 -0.28 0.23 0.71 0.09 0.00 0.00 178.44 178.97 1og0 h THR 149 N -0.79 0.16 0.00 0.22 1.35 -1.38 -0.99 112.91 111.48 1og0 h THR 149 Ca -0.06 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.72 1og0 h THR 149 Cb 0.47 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 67.67 1og0 h THR 149 CO 0.10 0.00 -0.36 -1.13 -0.25 0.00 0.00 175.52 173.89 1og0 h ASN 150 N 0.00 0.00 -0.36 5.36 -1.24 -0.91 -2.18 115.58 116.25 1og0 h ASN 150 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.05 1og0 h ASN 150 Cb 0.50 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.55 1og0 h ASN 150 CO -0.00 0.36 0.00 2.30 -1.29 0.00 0.00 177.43 178.80 1og0 n ILE 151 N -4.04 0.65 -0.57 2.57 -5.35 -0.38 -4.66 119.36 107.58 1og0 n ILE 151 Ca -0.02 -0.54 0.00 0.00 -0.27 0.00 0.00 62.75 61.92 1og0 n ILE 151 Cb 0.40 0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.45 1og0 n ILE 151 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1og0 n GLY 152 N 0.98 0.70 3.38 3.28 0.00 -0.82 -5.05 105.19 107.66 1og0 n GLY 152 Ca 0.13 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1og0 n GLY 152 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1og0 s LEU 153 N 0.00 4.55 0.93 0.99 2.96 -1.24 -4.97 118.68 121.92 1og0 s LEU 153 Ca 0.00 -0.91 -0.10 0.00 -0.22 0.00 0.00 54.13 52.90 1og0 s LEU 153 Cb 0.00 -2.01 0.16 0.00 0.50 0.00 0.00 46.19 44.84 1og0 s LEU 153 CO 0.00 -0.34 1.14 -2.84 -1.32 0.00 0.00 176.35 172.99 1og0 s PRO 154 N 1.55 0.87 0.09 0.98 0.02 -1.26 -3.53 135.00 133.72 1og0 s PRO 154 Ca 0.02 1.51 0.02 0.00 0.02 0.00 0.00 61.00 62.57 1og0 s PRO 154 Cb -0.19 -1.71 -0.04 0.00 0.02 0.00 0.00 34.50 32.58 1og0 s PRO 154 CO 0.06 -2.72 -0.07 0.96 -0.33 0.00 0.00 177.00 174.90 1og0 s ILE 155 N -2.63 0.71 0.09 2.83 -4.36 -1.26 -1.35 121.20 115.22 1og0 s ILE 155 Ca 0.67 -1.76 0.04 0.00 -0.26 0.00 0.00 60.65 59.34 1og0 s ILE 155 Cb -0.23 -1.47 -0.03 0.00 1.25 0.00 0.00 42.46 41.98 1og0 s ILE 155 CO 0.58 -0.75 -0.10 -0.83 0.24 0.00 0.00 174.94 174.08 1og0 s GLY 156 N -2.73 0.80 0.21 6.27 0.00 -0.23 -1.62 107.32 110.03 1og0 s GLY 156 Ca 0.08 -1.10 -0.15 0.00 0.00 0.00 0.00 44.72 43.54 1og0 s GLY 156 CO -0.03 -1.17 0.49 -0.45 0.00 0.00 0.00 173.10 171.94 1og0 s SER 157 N -2.22 -0.16 0.06 1.64 0.15 -0.65 -1.22 113.70 111.31 1og0 s SER 157 Ca 0.02 -0.69 -0.22 0.00 0.70 0.00 0.00 55.95 55.76 1og0 s SER 157 Cb -0.05 0.57 -0.06 0.00 -1.71 0.00 0.00 66.02 64.77 1og0 s SER 157 CO 0.00 -1.08 0.66 -0.70 1.20 0.00 0.00 173.24 173.33 1og0 s GLU 158 N -3.94 4.38 -0.97 5.44 2.12 -1.26 -1.73 118.70 122.74 1og0 s GLU 158 Ca 0.15 0.90 -0.19 0.00 0.36 0.00 0.00 54.97 56.18 1og0 s GLU 158 Cb -0.01 -3.30 0.12 0.00 0.26 0.00 0.00 34.13 31.20 1og0 s GLU 158 CO 0.02 0.47 1.21 -1.64 -0.54 0.00 0.00 175.26 174.79 1og0 s MET 159 N -0.63 3.64 0.01 4.30 -1.94 -0.68 -4.87 119.30 119.13 1og0 s MET 159 Ca 0.33 -1.72 -0.11 0.00 -1.71 0.00 0.00 55.69 52.48 1og0 s MET 159 Cb -0.20 -5.01 -0.06 0.00 2.01 0.00 0.00 34.83 31.57 1og0 s MET 159 CO 0.21 -1.85 1.00 -0.07 -0.01 0.00 0.00 175.02 174.30 1og0 h LEU 160 N 10.79 -0.33 0.00 -0.03 3.38 -1.94 -3.46 115.31 123.71 1og0 h LEU 160 Ca 0.18 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1og0 h LEU 160 Cb 1.01 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1og0 h LEU 160 CO 1.18 -0.21 0.00 -0.90 0.09 0.00 0.00 178.44 178.60 1og0 n ASP 161 N -3.19 1.52 -0.82 -0.43 5.75 -1.26 -5.03 116.55 113.09 1og0 n ASP 161 Ca -0.05 -0.97 0.12 0.00 -0.01 0.00 0.00 54.79 53.88 1og0 n ASP 161 Cb 0.15 0.00 0.29 0.00 -1.03 0.00 0.00 41.12 40.53 1og0 n ASP 161 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1og0 n THR 162 N -0.23 0.21 -0.05 2.12 -2.24 -1.26 -4.56 114.28 108.27 1og0 n THR 162 Ca 0.00 -0.49 -0.11 0.00 -2.27 0.00 0.00 64.05 61.18 1og0 n THR 162 Cb 0.00 0.84 -0.04 0.00 -2.10 0.00 0.00 70.33 69.03 1og0 n THR 162 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1og0 n ILE 163 N 0.89 0.70 0.13 2.28 5.41 -1.26 -4.63 119.36 122.88 1og0 n ILE 163 Ca 0.17 -0.11 0.17 0.00 1.00 0.00 0.00 62.75 63.98 1og0 n ILE 163 Cb 0.48 -1.68 0.75 0.00 -0.71 0.00 0.00 39.64 38.48 1og0 n ILE 163 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1og0 h SER 164 N -0.41 0.00 -0.56 4.38 4.64 -2.00 -1.60 113.55 118.00 1og0 h SER 164 Ca -0.26 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.10 1og0 h SER 164 Cb 1.16 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 1og0 h SER 164 CO -0.16 0.00 0.37 -0.65 -0.87 0.00 0.00 176.83 175.53 1og0 h PRO 165 N 0.00 0.61 0.00 4.77 0.11 -1.85 -1.16 132.00 134.49 1og0 h PRO 165 Ca 0.14 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1og0 h PRO 165 Cb 0.66 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1og0 h PRO 165 CO -0.00 0.41 0.05 1.96 -0.21 0.00 0.00 178.00 180.21 1og0 h GLN 166 N 0.63 0.00 0.00 1.05 1.08 -1.59 0.90 115.11 117.18 1og0 h GLN 166 Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 1og0 h GLN 166 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1og0 h GLN 166 CO -0.06 0.00 -1.09 0.66 -0.95 0.00 0.00 178.83 177.39 1og0 n TYR 167 N -2.61 0.08 0.00 2.96 4.02 -0.44 -4.63 117.16 116.54 1og0 n TYR 167 Ca -0.02 0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1og0 n TYR 167 Cb 0.10 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 39.19 1og0 n TYR 167 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1og0 n LEU 168 N -1.74 0.00 -0.38 7.72 4.77 -0.25 -4.86 117.00 122.25 1og0 n LEU 168 Ca 0.02 -0.06 0.29 0.00 -0.03 0.00 0.00 56.01 56.23 1og0 n LEU 168 Cb 0.40 0.00 0.57 0.00 -2.33 0.00 0.00 43.42 42.06 1og0 n LEU 168 CO 0.42 0.00 1.22 0.00 -1.33 0.00 0.00 177.39 177.70 1og0 h ALA 169 N 0.00 2.46 0.00 -1.18 0.00 0.49 -0.25 119.26 120.77 1og0 h ALA 169 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1og0 h ALA 169 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1og0 h ALA 169 CO 0.00 -0.98 0.00 0.38 0.00 0.00 0.00 179.25 178.65 1og0 h ASP 170 N 0.24 0.00 -0.00 0.00 2.03 -1.90 -2.98 116.42 113.80 1og0 h ASP 170 Ca 0.70 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 57.00 1og0 h ASP 170 Cb 2.01 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.51 1og0 h ASP 170 CO -0.37 0.00 -0.67 0.18 -1.03 0.00 0.00 179.24 177.35 1og0 n LEU 171 N -2.98 1.15 -4.85 0.15 4.77 -0.11 -4.84 117.00 110.30 1og0 n LEU 171 Ca -0.00 -0.59 -0.37 0.00 -0.03 0.00 0.00 56.01 55.01 1og0 n LEU 171 Cb 0.22 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1og0 n LEU 171 CO 0.24 0.25 0.06 -0.69 -1.33 0.00 0.00 177.39 175.92 1og0 s VAL 172 N -2.46 5.11 -0.07 4.08 1.01 -1.13 -4.55 120.40 122.39 1og0 s VAL 172 Ca 0.10 0.70 0.10 0.00 0.00 0.00 0.00 61.98 62.88 1og0 s VAL 172 Cb 0.14 -3.66 -0.14 0.00 0.00 0.00 0.00 36.38 32.71 1og0 s VAL 172 CO 0.63 0.55 0.11 -1.20 0.00 0.00 0.00 175.10 175.19 1og0 n SER 173 N 1.74 2.44 -3.87 3.32 7.64 -0.64 -4.90 113.62 119.35 1og0 n SER 173 Ca -0.14 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.57 1og0 n SER 173 Cb 0.53 1.03 -0.15 0.00 -1.01 0.00 0.00 64.21 64.60 1og0 n SER 173 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1og0 s PHE 174 N -2.44 0.36 -0.03 1.43 5.36 -1.16 -3.97 117.98 117.53 1og0 s PHE 174 Ca -0.05 -0.05 0.07 0.00 -0.96 0.00 0.00 56.93 55.94 1og0 s PHE 174 Cb 0.05 -0.36 -0.01 0.00 -0.34 0.00 0.00 43.02 42.35 1og0 s PHE 174 CO 0.44 -0.09 -0.23 0.20 -1.46 0.00 0.00 175.22 174.08 1og0 s GLY 175 N 0.59 1.13 -0.04 13.12 0.00 -0.47 -1.63 107.32 120.02 1og0 s GLY 175 Ca -0.06 -0.96 0.04 0.00 0.00 0.00 0.00 44.72 43.74 1og0 s GLY 175 CO -0.01 -0.73 -0.18 0.00 0.00 0.00 0.00 173.10 172.19 1og0 s ALA 176 N -0.39 1.56 -0.39 3.20 0.00 -0.71 -0.38 121.76 124.66 1og0 s ALA 176 Ca 0.05 -0.71 -0.15 0.00 0.00 0.00 0.00 51.96 51.15 1og0 s ALA 176 Cb -0.10 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.51 1og0 s ALA 176 CO 0.00 0.28 0.33 0.42 0.00 0.00 0.00 175.76 176.80 1og0 s ILE 177 N 0.03 5.21 1.07 0.00 -1.09 -0.07 -1.68 121.20 124.65 1og0 s ILE 177 Ca -0.04 -0.38 -0.19 0.00 -2.23 0.00 0.00 60.65 57.81 1og0 s ILE 177 Cb -0.12 -3.90 0.03 0.00 -1.58 0.00 0.00 42.46 36.90 1og0 s ILE 177 CO 0.02 -0.24 -0.23 0.61 -1.23 0.00 0.00 174.94 173.87 1og0 n GLY 178 N 5.10 -2.62 0.17 6.18 0.00 -1.26 -2.91 105.19 109.85 1og0 n GLY 178 Ca -0.10 -0.67 -0.07 0.00 0.00 0.00 0.00 46.02 45.18 1og0 n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1og0 h ALA 179 N -1.75 0.50 0.00 4.61 0.00 -1.84 -2.23 119.26 118.55 1og0 h ALA 179 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1og0 h ALA 179 Cb 1.35 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1og0 h ALA 179 CO 0.34 -0.12 0.00 0.54 0.00 0.00 0.00 179.25 180.01 1og0 n ARG 180 N -4.89 0.11 0.00 0.00 1.74 -1.26 -3.35 116.66 109.01 1og0 n ARG 180 Ca 0.01 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 1og0 n ARG 180 Cb 0.08 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 29.71 1og0 n ARG 180 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1og0 n THR 181 N -2.02 0.00 -0.08 0.55 -2.24 -0.89 -4.74 114.28 104.87 1og0 n THR 181 Ca -0.00 -0.46 0.25 0.00 -2.27 0.00 0.00 64.05 61.57 1og0 n THR 181 Cb 0.07 1.02 0.72 0.00 -2.10 0.00 0.00 70.33 70.04 1og0 n THR 181 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1og0 h THR 182 N 0.02 0.49 0.00 4.28 2.02 -1.43 0.20 112.91 118.49 1og0 h THR 182 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1og0 h THR 182 Cb 0.01 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1og0 h THR 182 CO 0.00 0.00 -0.55 -0.62 0.37 0.00 0.00 175.52 174.72 1og0 n GLU 183 N -4.05 0.24 -1.94 6.66 1.02 -1.26 -4.66 120.64 116.65 1og0 n GLU 183 Ca 0.14 0.08 -0.43 0.00 -0.02 0.00 0.00 57.16 56.93 1og0 n GLU 183 Cb 0.84 -1.66 -0.03 0.00 -0.02 0.00 0.00 31.44 30.57 1og0 n GLU 183 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1og0 s SER 184 N -4.02 6.18 0.28 1.62 0.15 0.71 -4.88 113.70 113.74 1og0 s SER 184 Ca 0.07 1.83 0.02 0.00 0.70 0.00 0.00 55.95 58.57 1og0 s SER 184 Cb 0.14 -2.53 0.59 0.00 -1.71 0.00 0.00 66.02 62.51 1og0 s SER 184 CO 0.70 -1.38 1.80 -0.61 1.20 0.00 0.00 173.24 174.95 1og0 h GLN 185 N 11.66 0.81 -0.72 5.44 5.75 -1.89 -0.84 115.11 135.32 1og0 h GLN 185 Ca -0.38 -0.05 0.06 0.00 -0.15 0.00 0.00 58.65 58.14 1og0 h GLN 185 Cb 1.18 -0.18 -0.06 0.00 1.07 0.00 0.00 27.48 29.49 1og0 h GLN 185 CO 0.98 0.53 0.41 1.25 -2.65 0.00 0.00 178.83 179.36 1og0 h LEU 186 N 0.83 0.61 -0.34 -2.39 5.85 -1.93 -1.25 115.31 116.69 1og0 h LEU 186 Ca 0.51 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 59.24 1og0 h LEU 186 Cb 0.63 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 1og0 h LEU 186 CO -0.32 0.39 -0.08 0.45 -0.34 0.00 0.00 178.44 178.54 1og0 h HIS 187 N 0.75 0.00 0.02 1.25 3.86 -1.47 -2.10 115.15 117.45 1og0 h HIS 187 Ca 0.32 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 59.26 1og0 h HIS 187 Cb 0.21 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.70 1og0 h HIS 187 CO -0.07 0.08 -1.07 0.00 0.86 0.00 0.00 177.93 177.73 1og0 h ARG 188 N 0.00 0.66 -0.47 2.45 3.08 -0.56 -2.13 114.38 117.40 1og0 h ARG 188 Ca -0.00 -0.74 -0.09 0.00 0.07 0.00 0.00 59.98 59.22 1og0 h ARG 188 Cb 0.94 0.22 -0.02 0.00 0.08 0.00 0.00 29.97 31.19 1og0 h ARG 188 CO 0.01 1.32 -0.04 0.93 -1.07 0.00 0.00 179.97 181.11 1og0 h GLU 189 N 0.36 0.86 -0.72 0.04 5.08 -1.22 -2.31 114.58 116.67 1og0 h GLU 189 Ca -0.14 -0.30 0.03 0.00 -1.00 0.00 0.00 59.36 57.95 1og0 h GLU 189 Cb 1.73 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.87 1og0 h GLU 189 CO 0.21 0.93 0.46 1.25 -1.00 0.00 0.00 179.01 180.86 1og0 h LEU 190 N 0.71 0.76 -1.14 1.33 5.85 -1.36 -2.30 115.31 119.17 1og0 h LEU 190 Ca 0.13 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 1og0 h LEU 190 Cb 0.57 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1og0 h LEU 190 CO 0.03 0.53 -0.07 0.00 -0.34 0.00 0.00 178.44 178.60 1og0 h ALA 191 N 1.30 1.29 0.00 1.25 0.00 -1.18 -2.26 119.26 119.65 1og0 h ALA 191 Ca 0.28 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1og0 h ALA 191 Cb -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1og0 h ALA 191 CO -0.10 0.48 0.00 -1.13 0.00 0.00 0.00 179.25 178.50 1og0 n SER 192 N -4.23 0.00 -0.05 0.00 3.41 -0.87 -2.43 113.62 109.45 1og0 n SER 192 Ca 0.01 0.13 0.01 0.00 -0.26 0.00 0.00 58.87 58.76 1og0 n SER 192 Cb 0.29 -0.26 0.02 0.00 -0.26 0.00 0.00 64.21 63.99 1og0 n SER 192 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1og0 n GLY 193 N -0.56 1.01 3.83 5.00 0.00 -0.86 -1.53 105.19 112.08 1og0 n GLY 193 Ca 0.04 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 1og0 n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1og0 s LEU 194 N -0.80 4.23 -0.12 0.99 1.43 -1.02 -4.97 118.68 118.42 1og0 s LEU 194 Ca 0.04 1.31 0.01 0.00 -1.03 0.00 0.00 54.13 54.45 1og0 s LEU 194 Cb 0.03 -3.75 0.18 0.00 0.03 0.00 0.00 46.19 42.68 1og0 s LEU 194 CO 0.00 -0.06 1.22 -1.20 0.23 0.00 0.00 176.35 176.55 1og0 n SER 195 N 0.27 3.15 -3.83 2.29 7.64 -1.26 -4.88 113.62 116.99 1og0 n SER 195 Ca -0.00 -2.42 -0.07 0.00 1.01 0.00 0.00 58.87 57.39 1og0 n SER 195 Cb 0.52 -0.59 -0.02 0.00 -1.01 0.00 0.00 64.21 63.11 1og0 n SER 195 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1og0 s PHE 196 N -0.92 -0.17 0.37 1.43 -0.12 -1.26 -5.04 117.98 112.27 1og0 s PHE 196 Ca 0.15 -0.30 -0.27 0.00 -0.05 0.00 0.00 56.93 56.46 1og0 s PHE 196 Cb 0.13 0.71 -0.10 0.00 -0.63 0.00 0.00 43.02 43.13 1og0 s PHE 196 CO 0.03 -1.25 1.33 -2.14 -0.05 0.00 0.00 175.22 173.14 1og0 s PRO 197 N -3.86 4.14 -0.09 1.99 0.02 -1.25 -4.83 135.00 131.10 1og0 s PRO 197 Ca 0.11 2.24 0.03 0.00 0.02 0.00 0.00 61.00 63.41 1og0 s PRO 197 Cb -0.06 -2.91 0.00 0.00 0.02 0.00 0.00 34.50 31.56 1og0 s PRO 197 CO 0.07 -0.38 -0.21 0.08 -0.33 0.00 0.00 177.00 176.23 1og0 s VAL 198 N -1.19 1.83 -0.21 3.83 1.01 -0.68 -1.36 120.40 123.62 1og0 s VAL 198 Ca 0.53 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 1og0 s VAL 198 Cb -0.40 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1og0 s VAL 198 CO 0.53 0.51 0.09 -0.83 0.00 0.00 0.00 175.10 175.39 1og0 s GLY 199 N 0.46 1.90 -0.32 4.51 0.00 0.49 -1.70 107.32 112.66 1og0 s GLY 199 Ca -0.17 -0.87 -0.11 0.00 0.00 0.00 0.00 44.72 43.57 1og0 s GLY 199 CO 0.07 0.25 0.19 -1.36 0.00 0.00 0.00 173.10 172.25 1og0 s PHE 200 N 0.83 3.20 0.54 1.90 0.08 -0.10 -0.90 117.98 123.53 1og0 s PHE 200 Ca 0.05 -0.37 -0.19 0.00 0.12 0.00 0.00 56.93 56.54 1og0 s PHE 200 Cb -0.13 -2.40 -0.06 0.00 -0.57 0.00 0.00 43.02 39.85 1og0 s PHE 200 CO 0.02 -0.39 1.07 0.15 -0.10 0.00 0.00 175.22 175.98 1og0 s LYS 201 N 1.67 3.50 0.90 0.44 1.02 -1.15 -1.42 119.74 124.70 1og0 s LYS 201 Ca 0.05 1.41 -0.12 0.00 0.02 0.00 0.00 55.97 57.34 1og0 s LYS 201 Cb -0.17 -2.05 0.13 0.00 -0.52 0.00 0.00 37.83 35.22 1og0 s LYS 201 CO 0.08 -0.69 1.10 0.54 -0.92 0.00 0.00 175.35 175.46 1og0 s ASN 202 N -2.12 3.52 0.83 2.83 4.22 -0.88 -4.55 114.94 118.79 1og0 s ASN 202 Ca 0.68 1.36 -0.14 0.00 -2.14 0.00 0.00 52.86 52.62 1og0 s ASN 202 Cb -0.19 -2.04 0.05 0.00 1.28 0.00 0.00 41.25 40.35 1og0 s ASN 202 CO 0.27 -2.59 0.84 0.61 -2.04 0.00 0.00 177.10 174.19 1og0 n GLY 203 N -1.39 -0.89 0.05 0.45 0.00 -0.30 -4.67 105.19 98.45 1og0 n GLY 203 Ca 0.07 -0.54 0.08 0.00 0.00 0.00 0.00 46.02 45.62 1og0 n GLY 203 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1og0 n THR 204 N -3.22 1.07 0.47 2.61 -2.24 -1.26 -1.38 114.28 110.34 1og0 n THR 204 Ca 0.11 0.31 0.07 0.00 -2.27 0.00 0.00 64.05 62.27 1og0 n THR 204 Cb 0.51 -1.17 0.21 0.00 -2.10 0.00 0.00 70.33 67.78 1og0 n THR 204 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1og0 n ASP 205 N -1.79 2.59 0.00 3.42 3.85 -1.26 -2.81 116.55 120.55 1og0 n ASP 205 Ca 0.02 -2.05 0.00 0.00 -0.71 0.00 0.00 54.79 52.06 1og0 n ASP 205 Cb 0.16 -0.33 0.00 0.00 -1.35 0.00 0.00 41.12 39.59 1og0 n ASP 205 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1og0 n GLY 206 N 1.17 1.30 3.90 6.12 0.00 -0.48 -3.38 105.19 113.82 1og0 n GLY 206 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1og0 n GLY 206 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1og0 s THR 207 N -3.47 4.94 -0.26 2.61 -4.23 -1.26 -4.77 115.64 109.21 1og0 s THR 207 Ca 0.00 0.18 0.17 0.00 -1.18 0.00 0.00 61.69 60.86 1og0 s THR 207 Cb 0.00 -3.79 -0.23 0.00 1.34 0.00 0.00 72.50 69.82 1og0 s THR 207 CO 0.00 -0.55 0.47 0.18 -0.54 0.00 0.00 174.62 174.18 1og0 n LEU 208 N -1.50 0.24 -0.24 4.79 4.77 -1.26 -1.14 117.00 122.66 1og0 n LEU 208 Ca -0.00 -0.16 0.02 0.00 -0.03 0.00 0.00 56.01 55.84 1og0 n LEU 208 Cb 0.55 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.74 1og0 n LEU 208 CO 0.49 0.06 0.77 0.78 -1.33 0.00 0.00 177.39 178.16 1og0 h ASN 209 N 0.00 -0.52 -0.69 -1.43 4.21 -1.99 -0.00 115.58 115.16 1og0 h ASN 209 Ca 0.00 0.20 -0.01 0.00 1.21 0.00 0.00 56.30 57.70 1og0 h ASN 209 Cb 0.65 0.39 -0.03 0.00 -1.12 0.00 0.00 38.32 38.20 1og0 h ASN 209 CO 0.00 -0.21 0.38 -0.37 -1.29 0.00 0.00 177.43 175.95 1og0 h VAL 210 N 0.04 1.21 -0.06 2.81 -1.51 -1.96 0.21 116.25 116.99 1og0 h VAL 210 Ca 0.36 -0.53 -0.16 0.00 -1.23 0.00 0.00 66.70 65.14 1og0 h VAL 210 Cb 0.59 0.26 -0.01 0.00 -2.13 0.00 0.00 31.29 30.00 1og0 h VAL 210 CO -0.69 0.23 -0.68 0.00 -1.23 0.00 0.00 177.57 175.21 1og0 h ALA 211 N 1.44 0.74 -0.31 5.19 0.00 -1.36 -1.35 119.26 123.61 1og0 h ALA 211 Ca 0.25 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1og0 h ALA 211 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1og0 h ALA 211 CO -0.04 0.78 -0.18 0.28 0.00 0.00 0.00 179.25 180.08 1og0 h VAL 212 N 0.18 1.29 -0.47 0.00 2.07 -0.54 -2.26 116.25 116.52 1og0 h VAL 212 Ca -0.02 -1.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.15 1og0 h VAL 212 Cb 1.22 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1og0 h VAL 212 CO 0.11 0.42 0.08 0.44 0.02 0.00 0.00 177.57 178.64 1og0 h ASP 213 N 0.44 0.68 -0.31 0.57 3.32 -0.89 -2.06 116.42 118.17 1og0 h ASP 213 Ca 0.07 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1og0 h ASP 213 Cb 0.72 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1og0 h ASP 213 CO 0.05 0.70 0.20 0.00 -1.72 0.00 0.00 179.24 178.47 1og0 h ALA 214 N 1.39 0.39 -0.67 3.45 0.00 -1.03 -0.50 119.26 122.30 1og0 h ALA 214 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1og0 h ALA 214 Cb 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1og0 h ALA 214 CO 0.00 -0.14 0.38 0.00 0.00 0.00 0.00 179.25 179.50 1og0 h GLN 216 N 0.91 0.44 -0.23 0.00 1.08 -1.08 -2.78 115.11 113.45 1og0 h GLN 216 Ca 0.24 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.36 1og0 h GLN 216 Cb 0.01 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1og0 h GLN 216 CO -0.04 0.38 0.05 0.00 -0.95 0.00 0.00 178.83 178.27 1og0 h ALA 217 N 1.03 0.30 0.00 3.87 0.00 -0.74 -2.73 119.26 121.00 1og0 h ALA 217 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1og0 h ALA 217 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1og0 h ALA 217 CO -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.19 1og0 n ALA 218 N -2.29 1.23 0.37 0.00 0.00 0.41 -1.41 120.51 118.82 1og0 n ALA 218 Ca -0.04 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1og0 n ALA 218 Cb 0.18 -1.19 0.22 0.00 0.00 0.00 0.00 19.45 18.66 1og0 n ALA 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1og0 h ALA 219 N 2.13 0.89 -1.92 0.00 0.00 -1.20 0.37 119.26 119.54 1og0 h ALA 219 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 1og0 h ALA 219 Cb 0.10 0.00 0.07 0.00 0.00 0.00 0.00 17.79 17.96 1og0 h ALA 219 CO 0.00 0.00 0.10 -1.01 0.00 0.00 0.00 179.25 178.34 1og0 s HIS 220 N -3.19 2.60 0.02 0.00 3.76 -0.50 -3.93 115.29 114.06 1og0 s HIS 220 Ca 0.07 0.11 -0.21 0.00 -0.15 0.00 0.00 55.06 54.88 1og0 s HIS 220 Cb 0.09 -3.00 -0.06 0.00 1.11 0.00 0.00 32.58 30.72 1og0 s HIS 220 CO 0.67 -1.28 0.63 0.45 -0.85 0.00 0.00 174.74 174.36 1og0 s SER 221 N -4.53 7.05 0.15 1.40 0.15 -1.26 -3.62 113.70 113.04 1og0 s SER 221 Ca 0.60 1.25 0.06 0.00 0.70 0.00 0.00 55.95 58.56 1og0 s SER 221 Cb -0.09 -2.39 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 1og0 s SER 221 CO 0.42 0.12 -0.14 -1.00 1.20 0.00 0.00 173.24 173.84 1og0 s HIS 222 N -0.35 1.48 -0.32 3.44 3.76 -1.25 -4.93 115.29 117.12 1og0 s HIS 222 Ca 0.32 -0.60 0.03 0.00 -0.15 0.00 0.00 55.06 54.66 1og0 s HIS 222 Cb -0.19 -0.74 0.09 0.00 1.11 0.00 0.00 32.58 32.85 1og0 s HIS 222 CO 0.19 0.20 0.03 -1.01 -0.85 0.00 0.00 174.74 173.30 1og0 s HIS 223 N -2.63 3.42 0.30 1.40 3.76 -1.26 -0.80 115.29 119.48 1og0 s HIS 223 Ca 0.15 -2.72 0.02 0.00 -0.15 0.00 0.00 55.06 52.35 1og0 s HIS 223 Cb -0.02 -2.60 -0.01 0.00 1.11 0.00 0.00 32.58 31.06 1og0 s HIS 223 CO 0.04 -0.92 0.07 1.97 -0.85 0.00 0.00 174.74 175.04 1og0 n PHE 224 N 4.36 0.33 -4.19 1.40 1.16 -0.76 -4.93 117.46 114.83 1og0 n PHE 224 Ca 0.00 -1.78 -0.34 0.00 -1.87 0.00 0.00 57.45 53.46 1og0 n PHE 224 Cb 0.42 -0.08 -0.14 0.00 -1.61 0.00 0.00 39.48 38.08 1og0 n PHE 224 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 1og0 s MET 225 N -3.13 3.46 0.11 3.97 -1.94 -1.26 0.65 119.30 121.16 1og0 s MET 225 Ca 0.10 -0.60 0.02 0.00 -1.71 0.00 0.00 55.69 53.49 1og0 s MET 225 Cb 0.00 -2.93 -0.01 0.00 2.01 0.00 0.00 34.83 33.91 1og0 s MET 225 CO 0.07 -0.01 0.10 -1.13 -0.01 0.00 0.00 175.02 174.04 1og0 n SER 226 N 4.25 -0.26 -4.64 3.03 3.41 -0.93 -4.96 113.62 113.52 1og0 n SER 226 Ca -0.18 -1.71 -0.30 0.00 -0.26 0.00 0.00 58.87 56.41 1og0 n SER 226 Cb 0.52 0.59 -0.09 0.00 -0.26 0.00 0.00 64.21 64.96 1og0 n SER 226 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1og0 s VAL 227 N -2.46 3.74 0.91 -3.33 -7.23 -1.26 -0.81 120.40 109.96 1og0 s VAL 227 Ca 0.13 -1.07 -0.15 0.00 -1.81 0.00 0.00 61.98 59.08 1og0 s VAL 227 Cb 0.01 -2.75 0.21 0.00 0.56 0.00 0.00 36.38 34.40 1og0 s VAL 227 CO 0.09 0.15 1.18 0.35 -0.31 0.00 0.00 175.10 176.56 1og0 n THR 228 N 0.73 0.00 0.30 5.32 -2.24 0.11 -4.88 114.28 113.63 1og0 n THR 228 Ca -0.12 -0.84 0.17 0.00 -2.27 0.00 0.00 64.05 60.99 1og0 n THR 228 Cb 0.52 -1.52 0.96 0.00 -2.10 0.00 0.00 70.33 68.19 1og0 n THR 228 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1og0 h LYS 229 N 0.00 0.00 -0.58 -0.78 1.79 -1.94 -2.21 116.57 112.84 1og0 h LYS 229 Ca -0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 1og0 h LYS 229 Cb 1.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 1og0 h LYS 229 CO 0.27 0.03 0.00 0.72 -1.08 0.00 0.00 179.45 179.39 1og0 n HIS 230 N -3.46 0.96 -1.05 -1.35 8.25 -1.26 -0.00 115.22 117.30 1og0 n HIS 230 Ca -0.02 -0.40 -0.02 0.00 -0.26 0.00 0.00 57.72 57.02 1og0 n HIS 230 Cb 0.14 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 1og0 n HIS 230 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1og0 n GLY 231 N 0.99 0.53 3.73 -1.41 0.00 -0.83 -4.89 105.19 103.30 1og0 n GLY 231 Ca 0.18 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 1og0 n GLY 231 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1og0 s VAL 232 N -1.98 4.36 0.21 1.61 1.01 -1.26 -4.83 120.40 119.51 1og0 s VAL 232 Ca 0.00 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 1og0 s VAL 232 Cb 0.00 -3.00 -0.08 0.00 0.00 0.00 0.00 36.38 33.30 1og0 s VAL 232 CO 0.00 0.29 1.13 0.00 0.00 0.00 0.00 175.10 176.53 1og0 s ALA 233 N -1.19 3.40 0.16 5.51 0.00 -1.26 0.07 121.76 128.45 1og0 s ALA 233 Ca 0.23 0.89 -0.14 0.00 0.00 0.00 0.00 51.96 52.93 1og0 s ALA 233 Cb -0.12 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.65 1og0 s ALA 233 CO 0.14 -0.25 0.40 0.00 0.00 0.00 0.00 175.76 176.05 1og0 s ALA 234 N -0.45 -0.62 -0.51 0.00 0.00 0.01 -4.89 121.76 115.29 1og0 s ALA 234 Ca 0.49 -0.39 -0.25 0.00 0.00 0.00 0.00 51.96 51.80 1og0 s ALA 234 Cb -0.31 0.79 0.03 0.00 0.00 0.00 0.00 23.12 23.63 1og0 s ALA 234 CO 0.37 -0.70 0.96 0.42 0.00 0.00 0.00 175.76 176.81 1og0 s ILE 235 N -3.88 4.39 0.25 0.00 1.01 -1.26 -2.19 121.20 119.52 1og0 s ILE 235 Ca 0.10 0.55 -0.17 0.00 0.00 0.00 0.00 60.65 61.13 1og0 s ILE 235 Cb 0.01 -4.51 -0.08 0.00 0.01 0.00 0.00 42.46 37.89 1og0 s ILE 235 CO -0.05 -1.01 0.71 -0.89 0.00 0.00 0.00 174.94 173.70 1og0 s THR 236 N 3.96 4.64 -0.15 2.92 2.01 0.21 -4.93 115.64 124.29 1og0 s THR 236 Ca 0.35 1.11 -0.00 0.00 0.31 0.00 0.00 61.69 63.46 1og0 s THR 236 Cb -0.11 -3.76 0.04 0.00 0.01 0.00 0.00 72.50 68.68 1og0 s THR 236 CO 0.23 0.07 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.28 1og0 s THR 237 N -1.68 1.13 0.37 -0.82 2.01 -1.26 -1.83 115.64 113.56 1og0 s THR 237 Ca 0.46 -0.55 -0.01 0.00 0.31 0.00 0.00 61.69 61.90 1og0 s THR 237 Cb -0.14 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 1og0 s THR 237 CO 0.20 0.21 0.60 0.42 -0.69 0.00 0.00 174.62 175.36 1og0 s THR 238 N 1.64 5.05 -0.09 -0.82 -4.23 0.02 -4.96 115.64 112.26 1og0 s THR 238 Ca 0.02 -0.25 0.15 0.00 -1.18 0.00 0.00 61.69 60.43 1og0 s THR 238 Cb -0.14 -3.85 -0.17 0.00 1.34 0.00 0.00 72.50 69.68 1og0 s THR 238 CO -0.08 -0.60 0.79 0.50 -0.54 0.00 0.00 174.62 174.69 1og0 h LYS 239 N 0.75 0.00 0.00 3.99 3.64 -1.86 -3.33 116.57 119.76 1og0 h LYS 239 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1og0 h LYS 239 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1og0 h LYS 239 CO 0.62 0.39 0.00 0.41 -2.27 0.00 0.00 179.45 178.60 1og0 n GLY 240 N 1.45 2.72 3.23 5.01 0.00 -0.58 -4.37 105.19 112.65 1og0 n GLY 240 Ca -0.12 -1.58 -0.34 0.00 0.00 0.00 0.00 46.02 43.97 1og0 n GLY 240 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1og0 s ASN 241 N 0.00 3.89 0.00 1.61 3.84 0.13 -4.86 114.94 119.55 1og0 s ASN 241 Ca 0.00 -0.53 0.22 0.00 0.21 0.00 0.00 52.86 52.76 1og0 s ASN 241 Cb 0.00 -1.64 0.51 0.00 -0.55 0.00 0.00 41.25 39.57 1og0 s ASN 241 CO 0.00 -0.02 1.44 -1.84 -2.79 0.00 0.00 177.10 173.88 1og0 n GLU 242 N 4.72 2.28 -1.90 0.43 0.00 -1.26 -3.52 120.64 121.39 1og0 n GLU 242 Ca -0.19 -1.93 -0.32 0.00 0.00 0.00 0.00 57.16 54.71 1og0 n GLU 242 Cb 0.50 -1.48 0.04 0.00 0.00 0.00 0.00 31.44 30.50 1og0 n GLU 242 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1og0 n HIS 243 N 1.15 3.10 -4.18 -1.84 8.25 -1.26 -4.91 115.22 115.53 1og0 n HIS 243 Ca 0.18 -2.68 -0.34 0.00 -0.26 0.00 0.00 57.72 54.62 1og0 n HIS 243 Cb 0.52 -0.85 -0.11 0.00 1.12 0.00 0.00 29.99 30.67 1og0 n HIS 243 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1og0 s PHE 245 N 0.55 1.97 -0.04 0.00 -0.71 -0.69 -4.47 117.98 114.59 1og0 s PHE 245 Ca -0.00 -0.99 -0.09 0.00 -1.04 0.00 0.00 56.93 54.81 1og0 s PHE 245 Cb -0.14 -1.32 -0.05 0.00 -1.21 0.00 0.00 43.02 40.31 1og0 s PHE 245 CO 0.02 0.00 0.25 0.08 -1.34 0.00 0.00 175.22 174.23 1og0 s VAL 246 N -3.22 5.32 -0.13 -2.49 1.01 -1.26 -0.93 120.40 118.71 1og0 s VAL 246 Ca 0.33 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.67 1og0 s VAL 246 Cb 0.07 -3.54 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 1og0 s VAL 246 CO 0.15 0.52 -0.18 -0.63 0.00 0.00 0.00 175.10 174.95 1og0 s ILE 247 N -1.14 2.49 -0.25 2.22 1.01 -0.50 -1.87 121.20 123.16 1og0 s ILE 247 Ca 0.22 -0.85 -0.16 0.00 0.00 0.00 0.00 60.65 59.86 1og0 s ILE 247 Cb -0.14 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1og0 s ILE 247 CO 0.11 0.54 0.41 -0.76 0.00 0.00 0.00 174.94 175.23 1og0 s LEU 248 N 0.54 4.07 -0.03 2.97 1.43 -0.37 -2.08 118.68 125.20 1og0 s LEU 248 Ca -0.12 0.39 0.06 0.00 -1.03 0.00 0.00 54.13 53.44 1og0 s LEU 248 Cb -0.16 -2.50 0.10 0.00 0.03 0.00 0.00 46.19 43.65 1og0 s LEU 248 CO 0.04 -0.18 1.05 -2.11 0.23 0.00 0.00 176.35 175.38 1og0 n ARG 249 N 5.18 0.33 0.00 1.70 -4.01 -1.26 -0.70 116.66 117.90 1og0 n ARG 249 Ca -0.07 -1.47 0.00 0.00 -1.04 0.00 0.00 57.85 55.27 1og0 n ARG 249 Cb 0.51 -0.73 0.00 0.00 -3.04 0.00 0.00 32.46 29.19 1og0 n ARG 249 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1og0 n GLY 250 N -0.34 -1.90 0.00 2.89 0.00 -1.26 -1.99 105.19 102.58 1og0 n GLY 250 Ca 0.04 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1og0 n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1og0 n GLY 251 N 0.00 -0.05 0.34 -0.02 0.00 -1.25 -4.13 105.19 100.08 1og0 n GLY 251 Ca 0.00 -1.60 0.17 0.00 0.00 0.00 0.00 46.02 44.59 1og0 n GLY 251 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1og0 h LYS 252 N 4.16 0.00 -0.88 1.61 1.57 -1.61 -0.38 116.57 121.04 1og0 h LYS 252 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1og0 h LYS 252 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1og0 h LYS 252 CO 0.00 0.00 0.03 1.63 -0.57 0.00 0.00 179.45 180.54 1og0 n LYS 253 N -3.87 2.16 0.00 3.15 5.02 -1.22 -4.96 118.16 118.44 1og0 n LYS 253 Ca 0.03 -1.02 0.00 0.00 -2.02 0.00 0.00 58.31 55.30 1og0 n LYS 253 Cb 0.37 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 1og0 n LYS 253 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1og0 n GLY 254 N 0.17 -1.96 3.58 0.72 0.00 -0.15 -4.95 105.19 102.59 1og0 n GLY 254 Ca 0.10 -1.51 -0.35 0.00 0.00 0.00 0.00 46.02 44.26 1og0 n GLY 254 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1og0 n THR 255 N -1.71 2.33 -2.61 2.61 -2.24 -1.26 -3.90 114.28 107.50 1og0 n THR 255 Ca 0.00 -0.35 -0.02 0.00 -2.27 0.00 0.00 64.05 61.40 1og0 n THR 255 Cb 0.00 -1.00 0.05 0.00 -2.10 0.00 0.00 70.33 67.28 1og0 n THR 255 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1og0 n ASN 256 N -1.49 1.95 -2.06 3.42 6.94 -1.26 -4.85 115.26 117.91 1og0 n ASN 256 Ca 0.12 -2.34 -0.14 0.00 -0.02 0.00 0.00 54.58 52.21 1og0 n ASN 256 Cb 0.50 -0.43 0.25 0.00 -2.36 0.00 0.00 39.78 37.74 1og0 n ASN 256 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1og0 n TYR 257 N -0.44 2.67 -4.34 -2.53 4.11 -1.26 -4.33 117.16 111.04 1og0 n TYR 257 Ca 0.13 -1.50 -0.27 0.00 -0.00 0.00 0.00 57.90 56.26 1og0 n TYR 257 Cb 0.88 -0.79 -0.10 0.00 -0.00 0.00 0.00 39.34 39.33 1og0 n TYR 257 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.86 177.02 1og0 s ASP 258 N -1.22 3.93 0.28 9.48 -4.77 -1.26 -4.36 116.67 118.74 1og0 s ASP 258 Ca 0.56 -0.69 -0.01 0.00 -3.30 0.00 0.00 52.55 49.11 1og0 s ASP 258 Cb 0.46 -0.54 0.63 0.00 -1.09 0.00 0.00 42.92 42.38 1og0 s ASP 258 CO 0.12 0.11 1.65 0.00 0.70 0.00 0.00 175.17 177.75 1og0 h ALA 259 N 3.06 1.14 -0.60 2.11 0.00 -1.93 0.47 119.26 123.52 1og0 h ALA 259 Ca -0.47 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1og0 h ALA 259 Cb 1.20 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 1og0 h ALA 259 CO 0.51 -0.45 0.34 -0.22 0.00 0.00 0.00 179.25 179.44 1og0 h LYS 260 N 0.19 0.84 0.28 0.00 3.64 -1.97 0.12 116.57 119.66 1og0 h LYS 260 Ca 0.51 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.79 1og0 h LYS 260 Cb 0.99 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1og0 h LYS 260 CO -0.65 0.62 -0.14 0.77 -2.27 0.00 0.00 179.45 177.79 1og0 h SER 261 N 0.82 -0.32 -0.97 4.20 0.02 -1.00 -2.42 113.55 113.88 1og0 h SER 261 Ca 0.21 -0.20 0.19 0.00 -0.84 0.00 0.00 61.79 61.16 1og0 h SER 261 Cb 0.02 0.08 -0.11 0.00 0.14 0.00 0.00 62.40 62.54 1og0 h SER 261 CO -0.04 0.06 0.56 0.58 -1.14 0.00 0.00 176.83 176.85 1og0 h VAL 262 N -0.76 0.66 -0.63 2.27 2.07 -0.09 0.42 116.25 120.19 1og0 h VAL 262 Ca -0.04 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1og0 h VAL 262 Cb 0.50 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 1og0 h VAL 262 CO 0.06 0.12 0.24 0.00 0.02 0.00 0.00 177.57 178.01 1og0 h ALA 263 N 1.65 1.22 -0.68 1.67 0.00 -0.68 -1.20 119.26 121.24 1og0 h ALA 263 Ca 0.57 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 1og0 h ALA 263 Cb 0.93 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1og0 h ALA 263 CO -0.41 0.56 0.30 0.93 0.00 0.00 0.00 179.25 180.63 1og0 h GLU 264 N 0.92 1.01 0.42 0.00 5.08 0.26 -2.10 114.58 120.18 1og0 h GLU 264 Ca 0.21 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1og0 h GLU 264 Cb 0.20 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1og0 h GLU 264 CO -0.02 0.82 -0.20 0.00 -1.00 0.00 0.00 179.01 178.61 1og0 h ALA 265 N 1.14 -1.15 -1.56 3.43 0.00 -0.48 -2.60 119.26 118.03 1og0 h ALA 265 Ca 0.23 -0.12 0.45 0.00 0.00 0.00 0.00 54.91 55.47 1og0 h ALA 265 Cb 0.17 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1og0 h ALA 265 CO -0.02 -1.11 1.16 0.87 0.00 0.00 0.00 179.25 180.15 1og0 h LYS 266 N -0.57 0.00 -0.10 0.00 1.57 -1.20 0.98 116.57 117.24 1og0 h LYS 266 Ca -0.06 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1og0 h LYS 266 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1og0 h LYS 266 CO 0.10 0.00 -0.15 0.00 -0.57 0.00 0.00 179.45 178.83 1og0 h ALA 267 N 1.15 1.57 -0.01 3.86 0.00 -0.97 -3.04 119.26 121.83 1og0 h ALA 267 Ca 0.74 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1og0 h ALA 267 Cb 3.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.78 1og0 h ALA 267 CO -0.01 0.31 -0.55 1.04 0.00 0.00 0.00 179.25 180.05 1og0 n GLN 268 N -4.29 0.49 -2.35 0.00 6.02 0.34 -4.95 117.38 112.64 1og0 n GLN 268 Ca -0.01 -0.35 -0.43 0.00 -0.01 0.00 0.00 57.00 56.20 1og0 n GLN 268 Cb 0.26 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.00 1og0 n GLN 268 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1og0 s LEU 269 N -2.75 4.22 1.03 1.08 1.43 -1.15 -5.03 118.68 117.50 1og0 s LEU 269 Ca 0.16 1.81 -0.15 0.00 -1.03 0.00 0.00 54.13 54.91 1og0 s LEU 269 Cb 0.18 -3.54 0.20 0.00 0.03 0.00 0.00 46.19 43.06 1og0 s LEU 269 CO 0.66 -0.77 1.14 -2.16 0.23 0.00 0.00 176.35 175.45 1og0 s PRO 270 N 3.46 0.19 -0.09 1.29 0.04 -1.26 -4.90 135.00 133.72 1og0 s PRO 270 Ca 0.58 0.15 -0.31 0.00 0.04 0.00 0.00 61.00 61.46 1og0 s PRO 270 Cb -0.24 -1.74 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 1og0 s PRO 270 CO 0.18 -2.81 2.03 0.00 0.04 0.00 0.00 177.00 176.44 1og0 n ALA 271 N -4.17 1.41 -0.50 8.56 0.00 -1.26 -2.21 120.51 122.35 1og0 n ALA 271 Ca 0.09 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1og0 n ALA 271 Cb 0.59 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 17.35 1og0 n ALA 271 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1og0 n GLY 272 N 4.98 1.17 3.75 0.00 0.00 -1.26 -5.07 105.19 108.76 1og0 n GLY 272 Ca 0.25 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1og0 n GLY 272 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1og0 s SER 273 N -2.32 6.74 0.00 1.61 1.04 -0.94 -5.07 113.70 114.76 1og0 s SER 273 Ca 0.00 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.31 1og0 s SER 273 Cb 0.00 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1og0 s SER 273 CO 0.00 0.09 0.00 0.59 0.98 0.00 0.00 173.24 174.90 1og0 n ASN 274 N 3.15 0.00 -4.70 7.02 4.13 -1.26 -5.01 115.26 118.59 1og0 n ASN 274 Ca -0.09 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.82 1og0 n ASN 274 Cb 0.52 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.67 1og0 n ASN 274 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1og0 s GLY 275 N -0.40 1.94 0.89 7.41 0.00 -0.42 -4.97 107.32 111.77 1og0 s GLY 275 Ca 0.00 -0.75 -0.13 0.00 0.00 0.00 0.00 44.72 43.84 1og0 s GLY 275 CO 0.00 -0.26 0.51 1.04 0.00 0.00 0.00 173.10 174.39 1og0 n LEU 276 N 2.72 0.45 -4.13 0.66 4.32 -0.30 -4.58 117.00 116.14 1og0 n LEU 276 Ca -0.18 0.41 -0.12 0.00 -0.02 0.00 0.00 56.01 56.09 1og0 n LEU 276 Cb 0.53 -1.24 -0.11 0.00 -1.62 0.00 0.00 43.42 40.99 1og0 n LEU 276 CO 0.32 -3.34 -0.40 -0.32 -1.22 0.00 0.00 177.39 172.43 1og0 s MET 277 N -3.51 0.71 -0.05 3.23 -2.45 -0.78 -1.67 119.30 114.77 1og0 s MET 277 Ca 0.60 -1.06 0.01 0.00 -1.25 0.00 0.00 55.69 53.99 1og0 s MET 277 Cb -0.25 -0.31 0.02 0.00 1.25 0.00 0.00 34.83 35.54 1og0 s MET 277 CO 0.64 0.03 -0.06 0.42 1.05 0.00 0.00 175.02 177.10 1og0 s ILE 278 N -2.47 0.68 -0.15 10.11 1.01 -0.51 -1.23 121.20 128.64 1og0 s ILE 278 Ca 0.02 -0.20 -0.24 0.00 0.00 0.00 0.00 60.65 60.23 1og0 s ILE 278 Cb -0.03 -0.69 -0.02 0.00 0.01 0.00 0.00 42.46 41.73 1og0 s ILE 278 CO -0.02 0.26 0.76 -0.62 0.00 0.00 0.00 174.94 175.33 1og0 s ASP 279 N 0.95 6.91 0.06 3.58 -1.08 0.12 0.12 116.67 127.32 1og0 s ASP 279 Ca -0.10 1.11 -0.15 0.00 -0.52 0.00 0.00 52.55 52.89 1og0 s ASP 279 Cb -0.14 -2.42 -0.26 0.00 -1.46 0.00 0.00 42.92 38.64 1og0 s ASP 279 CO 0.00 -0.31 1.15 1.88 0.52 0.00 0.00 175.17 178.41 1og0 h TYR 280 N 7.24 1.00 -3.03 -5.34 0.05 -1.31 -3.43 116.97 112.15 1og0 h TYR 280 Ca -0.32 -0.58 -0.23 0.00 0.05 0.00 0.00 58.73 57.65 1og0 h TYR 280 Cb 1.15 -0.10 0.09 0.00 1.01 0.00 0.00 36.73 38.88 1og0 h TYR 280 CO 0.70 1.42 0.22 0.45 -1.05 0.00 0.00 178.16 179.90 1og0 n SER 281 N -3.87 0.08 0.00 3.88 2.88 -1.26 -2.42 113.62 112.91 1og0 n SER 281 Ca -0.12 -1.27 0.00 0.00 -1.33 0.00 0.00 58.87 56.15 1og0 n SER 281 Cb 0.90 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 1og0 n SER 281 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1og0 n HIS 282 N -2.95 0.00 0.25 0.66 8.25 -1.26 -3.21 115.22 116.96 1og0 n HIS 282 Ca 0.09 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.73 1og0 n HIS 282 Cb 0.31 0.00 0.89 0.00 1.12 0.00 0.00 29.99 32.30 1og0 n HIS 282 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1og0 h GLY 283 N 0.00 0.00 0.94 -1.41 0.00 -1.75 -1.66 103.07 99.20 1og0 h GLY 283 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 1og0 h GLY 283 CO 0.00 0.00 -1.74 0.70 0.00 0.00 0.00 176.54 175.50 1og0 n ASN 284 N -3.45 0.87 -0.02 0.19 3.02 -1.18 -3.77 115.26 110.91 1og0 n ASN 284 Ca 0.00 0.40 0.14 0.00 -0.03 0.00 0.00 54.58 55.09 1og0 n ASN 284 Cb 0.32 -0.04 0.63 0.00 -0.61 0.00 0.00 39.78 40.08 1og0 n ASN 284 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1og0 n SER 285 N -3.04 0.13 -3.41 6.41 7.64 -0.79 -4.94 113.62 115.61 1og0 n SER 285 Ca -0.18 0.02 -0.30 0.00 1.01 0.00 0.00 58.87 59.43 1og0 n SER 285 Cb 1.06 -0.28 0.02 0.00 -1.01 0.00 0.00 64.21 64.00 1og0 n SER 285 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1og0 n ASN 286 N -1.33 -4.60 0.00 6.43 5.15 -0.69 -1.55 115.26 118.67 1og0 n ASN 286 Ca 0.11 -0.45 0.00 0.00 -0.60 0.00 0.00 54.58 53.63 1og0 n ASN 286 Cb 0.30 -1.41 0.00 0.00 -0.53 0.00 0.00 39.78 38.13 1og0 n ASN 286 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1og0 n LYS 287 N -1.10 0.00 -3.66 1.20 5.02 -1.26 -4.89 118.16 113.47 1og0 n LYS 287 Ca -0.17 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.75 1og0 n LYS 287 Cb 0.62 -2.00 -0.11 0.00 -0.02 0.00 0.00 35.03 33.52 1og0 n LYS 287 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1og0 s ASP 288 N -0.36 5.72 0.30 4.39 -1.08 -0.59 -4.96 116.67 120.10 1og0 s ASP 288 Ca 0.00 -0.06 0.12 0.00 -0.52 0.00 0.00 52.55 52.09 1og0 s ASP 288 Cb 0.00 -2.05 0.47 0.00 -1.46 0.00 0.00 42.92 39.88 1og0 s ASP 288 CO 0.00 -0.03 1.67 2.19 0.52 0.00 0.00 175.17 179.52 1og0 h PHE 289 N 8.21 0.00 0.00 -5.34 -5.15 -1.86 -2.44 116.94 110.37 1og0 h PHE 289 Ca -0.36 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.41 1og0 h PHE 289 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.35 1og0 h PHE 289 CO 0.72 0.54 0.00 0.54 -2.00 0.00 0.00 178.31 178.11 1og0 n ARG 290 N -3.81 0.11 0.00 6.09 1.74 -1.26 -2.25 116.66 117.27 1og0 n ARG 290 Ca -0.01 0.46 0.15 0.00 -0.77 0.00 0.00 57.85 57.68 1og0 n ARG 290 Cb 0.56 -1.76 0.80 0.00 -1.02 0.00 0.00 32.46 31.05 1og0 n ARG 290 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1og0 n ASN 291 N -1.96 0.00 0.13 0.55 3.02 -0.92 -3.95 115.26 112.13 1og0 n ASN 291 Ca 0.01 -0.38 -0.13 0.00 -0.03 0.00 0.00 54.58 54.04 1og0 n ASN 291 Cb 0.12 -0.20 -0.08 0.00 -0.61 0.00 0.00 39.78 39.01 1og0 n ASN 291 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1og0 h GLN 292 N 0.00 -0.32 -0.99 3.52 4.20 -1.64 -2.89 115.11 116.99 1og0 h GLN 292 Ca 0.00 0.02 0.20 0.00 0.06 0.00 0.00 58.65 58.93 1og0 h GLN 292 Cb 0.20 0.07 -0.10 0.00 0.30 0.00 0.00 27.48 27.95 1og0 h GLN 292 CO 0.00 0.00 0.62 -1.35 -0.67 0.00 0.00 178.83 177.43 1og0 h PRO 293 N -0.66 0.64 0.62 1.46 0.11 -1.83 -0.63 132.00 131.71 1og0 h PRO 293 Ca -0.03 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 1og0 h PRO 293 Cb 0.47 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 1og0 h PRO 293 CO 0.06 0.43 -0.46 -0.22 -0.21 0.00 0.00 178.00 177.59 1og0 h LYS 294 N 0.66 -1.01 -0.99 1.05 3.64 -1.75 -2.14 116.57 116.03 1og0 h LYS 294 Ca 0.57 0.07 0.32 0.00 -1.27 0.00 0.00 60.65 60.34 1og0 h LYS 294 Cb 1.02 0.23 -0.15 0.00 -0.41 0.00 0.00 32.23 32.91 1og0 h LYS 294 CO -0.34 -0.67 0.53 0.28 -2.27 0.00 0.00 179.45 176.97 1og0 h VAL 295 N -1.05 0.26 0.00 2.00 2.07 -0.93 0.23 116.25 118.83 1og0 h VAL 295 Ca -0.08 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.38 1og0 h VAL 295 Cb 0.87 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1og0 h VAL 295 CO 0.03 0.05 -0.30 -1.13 0.02 0.00 0.00 177.57 176.24 1og0 h ASN 296 N 0.27 -0.89 -0.77 0.57 -1.24 -0.67 -2.10 115.58 110.75 1og0 h ASN 296 Ca 0.73 0.12 0.09 0.00 0.71 0.00 0.00 56.30 57.95 1og0 h ASN 296 Cb 1.68 0.36 -0.05 0.00 0.73 0.00 0.00 38.32 41.04 1og0 h ASN 296 CO -0.64 -0.36 0.51 0.44 -1.29 0.00 0.00 177.43 176.09 1og0 h ASP 297 N -0.45 0.63 1.26 1.15 5.19 -0.24 0.50 116.42 124.46 1og0 h ASP 297 Ca 0.06 0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.43 1og0 h ASP 297 Cb 0.53 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 1og0 h ASP 297 CO -0.25 0.38 -0.26 0.58 -3.12 0.00 0.00 179.24 176.57 1og0 h VAL 298 N 0.70 0.52 0.01 -1.35 2.07 -1.07 -2.84 116.25 114.30 1og0 h VAL 298 Ca 0.35 -1.38 -0.34 0.00 0.82 0.00 0.00 66.70 66.16 1og0 h VAL 298 Cb 0.45 1.98 -0.05 0.00 -1.52 0.00 0.00 31.29 32.15 1og0 h VAL 298 CO -0.13 0.25 -1.85 0.52 0.02 0.00 0.00 177.57 176.38 1og0 n VAL 299 N -3.28 1.56 -0.33 2.57 0.31 -0.69 -3.74 118.33 114.72 1og0 n VAL 299 Ca 0.01 -0.25 0.21 0.00 -0.01 0.00 0.00 64.34 64.31 1og0 n VAL 299 Cb 0.53 -1.91 0.41 0.00 -0.91 0.00 0.00 33.84 31.95 1og0 n VAL 299 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1og0 h GLU 301 N 0.01 0.20 -0.07 0.00 4.81 -1.66 0.00 114.58 117.87 1og0 h GLU 301 Ca 0.70 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.90 1og0 h GLU 301 Cb 1.63 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.98 1og0 h GLU 301 CO -0.86 0.37 0.06 1.96 -0.73 0.00 0.00 179.01 179.81 1og0 h GLN 302 N -0.01 0.00 0.10 1.92 4.20 0.11 -0.07 115.11 121.37 1og0 h GLN 302 Ca 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1og0 h GLN 302 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1og0 h GLN 302 CO 0.00 0.00 -0.05 0.82 -0.67 0.00 0.00 178.83 178.93 1og0 h ILE 303 N 0.00 0.00 -1.45 2.54 2.04 -0.64 -0.08 117.51 119.92 1og0 h ILE 303 Ca 0.04 -0.16 0.43 0.00 1.00 0.00 0.00 64.86 66.17 1og0 h ILE 303 Cb 0.14 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.15 1og0 h ILE 303 CO -0.00 0.00 1.02 0.00 0.00 0.00 0.00 178.15 179.17 1og0 h ALA 304 N -1.78 3.19 -0.49 1.87 0.00 -0.80 0.39 119.26 121.65 1og0 h ALA 304 Ca -0.01 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1og0 h ALA 304 Cb 0.11 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 17.91 1og0 h ALA 304 CO 0.02 -1.67 0.24 0.09 0.00 0.00 0.00 179.25 177.93 1og0 n ASN 305 N -4.26 3.60 0.00 0.00 3.02 -0.06 -3.96 115.26 113.61 1og0 n ASN 305 Ca 0.34 -2.80 0.00 0.00 -0.03 0.00 0.00 54.58 52.09 1og0 n ASN 305 Cb 1.49 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 40.00 1og0 n ASN 305 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1og0 n GLY 306 N -0.14 0.86 3.56 7.41 0.00 0.14 -5.01 105.19 112.01 1og0 n GLY 306 Ca 0.28 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 1og0 n GLY 306 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1og0 s GLU 307 N -2.79 3.69 0.04 1.61 2.56 -0.04 -4.95 118.70 118.82 1og0 s GLU 307 Ca 0.00 -0.14 0.23 0.00 0.00 0.00 0.00 54.97 55.06 1og0 s GLU 307 Cb 0.00 -3.78 -0.01 0.00 2.00 0.00 0.00 34.13 32.34 1og0 s GLU 307 CO 0.00 -0.57 0.96 0.09 -0.56 0.00 0.00 175.26 175.19 1og0 n ASN 308 N 5.63 0.59 0.25 -1.70 3.02 -1.26 -4.18 115.26 117.62 1og0 n ASN 308 Ca -0.06 -0.24 0.14 0.00 -0.03 0.00 0.00 54.58 54.39 1og0 n ASN 308 Cb 0.49 0.92 0.56 0.00 -0.61 0.00 0.00 39.78 41.13 1og0 n ASN 308 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1og0 h ALA 309 N 2.51 1.01 -1.71 5.41 0.00 -1.96 -3.39 119.26 121.13 1og0 h ALA 309 Ca 0.00 -0.10 -0.64 0.00 0.00 0.00 0.00 54.91 54.17 1og0 h ALA 309 Cb 0.75 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.36 1og0 h ALA 309 CO 0.00 0.13 0.45 0.42 0.00 0.00 0.00 179.25 180.25 1og0 s ILE 310 N -3.64 4.43 -0.08 0.00 1.01 -1.26 -1.14 121.20 120.51 1og0 s ILE 310 Ca 0.01 -0.48 0.21 0.00 0.00 0.00 0.00 60.65 60.39 1og0 s ILE 310 Cb 0.09 -4.64 -0.28 0.00 0.01 0.00 0.00 42.46 37.65 1og0 s ILE 310 CO 0.59 -1.38 0.49 0.35 0.00 0.00 0.00 174.94 174.99 1og0 n THR 311 N 5.85 0.35 -3.90 2.92 -2.24 -0.67 -4.98 114.28 111.61 1og0 n THR 311 Ca -0.05 -0.57 -0.09 0.00 -2.27 0.00 0.00 64.05 61.06 1og0 n THR 311 Cb 0.45 -0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.48 1og0 n THR 311 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1og0 s GLY 312 N -4.68 0.32 0.04 3.38 0.00 -1.06 0.58 107.32 105.90 1og0 s GLY 312 Ca -0.07 -0.67 -0.03 0.00 0.00 0.00 0.00 44.72 43.95 1og0 s GLY 312 CO 0.88 -0.57 0.03 -1.34 0.00 0.00 0.00 173.10 172.10 1og0 s VAL 313 N -3.96 0.17 0.03 1.40 -7.23 0.02 -1.42 120.40 109.41 1og0 s VAL 313 Ca 0.17 -1.37 0.07 0.00 -1.81 0.00 0.00 61.98 59.04 1og0 s VAL 313 Cb 0.00 -1.08 -0.03 0.00 0.56 0.00 0.00 36.38 35.84 1og0 s VAL 313 CO 0.03 -0.76 -0.20 -0.04 -0.31 0.00 0.00 175.10 173.82 1og0 s MET 314 N -3.05 2.06 -0.07 4.82 -1.94 0.32 -1.72 119.30 119.71 1og0 s MET 314 Ca -0.01 -0.98 -0.03 0.00 -1.71 0.00 0.00 55.69 52.96 1og0 s MET 314 Cb 0.02 -2.16 0.04 0.00 2.01 0.00 0.00 34.83 34.74 1og0 s MET 314 CO -0.07 0.54 0.16 0.42 -0.01 0.00 0.00 175.02 176.06 1og0 s ILE 315 N -0.87 -0.09 -0.50 2.53 1.01 -0.27 -0.85 121.20 122.16 1og0 s ILE 315 Ca 0.14 0.21 -0.15 0.00 0.00 0.00 0.00 60.65 60.85 1og0 s ILE 315 Cb -0.10 -0.26 0.10 0.00 0.01 0.00 0.00 42.46 42.21 1og0 s ILE 315 CO 0.04 0.09 0.43 -1.61 0.00 0.00 0.00 174.94 173.89 1og0 s GLU 316 N 1.40 2.93 0.10 2.79 2.02 -1.26 -1.51 118.70 125.18 1og0 s GLU 316 Ca -0.07 -1.55 0.02 0.00 0.02 0.00 0.00 54.97 53.39 1og0 s GLU 316 Cb -0.12 -4.18 -0.04 0.00 0.10 0.00 0.00 34.13 29.89 1og0 s GLU 316 CO -0.06 -1.18 -0.06 -1.54 0.02 0.00 0.00 175.26 172.44 1og0 s SER 317 N 3.05 1.11 0.00 -0.19 1.04 -0.85 -2.26 113.70 115.61 1og0 s SER 317 Ca 0.04 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.45 1og0 s SER 317 Cb -0.27 0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1og0 s SER 317 CO 0.04 -0.48 0.00 -3.20 0.98 0.00 0.00 173.24 170.58 1og0 n ASN 318 N -0.05 0.04 0.02 7.02 5.15 -0.95 -0.96 115.26 125.54 1og0 n ASN 318 Ca -0.12 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 53.80 1og0 n ASN 318 Cb 0.61 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.74 1og0 n ASN 318 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1og0 h ILE 319 N 0.00 1.10 -3.85 -1.44 2.04 -1.86 -3.06 117.51 110.44 1og0 h ILE 319 Ca 0.00 -2.84 -0.12 0.00 1.00 0.00 0.00 64.86 62.90 1og0 h ILE 319 Cb 0.00 2.52 -0.17 0.00 -0.74 0.00 0.00 36.82 38.43 1og0 h ILE 319 CO 0.00 0.63 -0.53 0.20 0.00 0.00 0.00 178.15 178.45 1og0 s ASN 320 N -6.29 0.20 0.95 1.72 0.01 -1.12 -3.23 114.94 107.18 1og0 s ASN 320 Ca -0.02 -0.59 -0.15 0.00 -0.71 0.00 0.00 52.86 51.39 1og0 s ASN 320 Cb 0.09 0.23 0.18 0.00 0.41 0.00 0.00 41.25 42.16 1og0 s ASN 320 CO 0.82 -0.53 1.26 -1.83 -1.51 0.00 0.00 177.10 175.30 1og0 s GLU 321 N -2.83 0.73 0.07 -0.60 -1.05 -1.26 -4.50 118.70 109.27 1og0 s GLU 321 Ca -0.03 -0.22 0.00 0.00 -0.15 0.00 0.00 54.97 54.57 1og0 s GLU 321 Cb 0.00 -1.84 0.00 0.00 -0.44 0.00 0.00 34.13 31.85 1og0 s GLU 321 CO -0.06 -2.38 0.00 0.41 0.95 0.00 0.00 175.26 174.18 1og0 n GLY 322 N -3.25 -1.56 3.46 -3.83 0.00 -0.73 -4.84 105.19 94.43 1og0 n GLY 322 Ca 0.13 -1.46 -0.22 0.00 0.00 0.00 0.00 46.02 44.47 1og0 n GLY 322 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1og0 s ASN 323 N -3.60 2.65 -0.24 1.61 4.22 -1.26 -3.34 114.94 114.97 1og0 s ASN 323 Ca 0.00 -1.31 -0.27 0.00 -2.14 0.00 0.00 52.86 49.13 1og0 s ASN 323 Cb 0.00 -0.14 0.14 0.00 1.28 0.00 0.00 41.25 42.53 1og0 s ASN 323 CO 0.00 -0.50 1.10 -1.58 -2.04 0.00 0.00 177.10 174.08 1og0 s GLN 324 N -3.82 0.44 -0.30 3.55 -0.44 0.59 -4.92 119.66 114.75 1og0 s GLN 324 Ca 0.34 0.31 -0.03 0.00 -2.50 0.00 0.00 55.36 53.48 1og0 s GLN 324 Cb 0.07 0.21 0.10 0.00 -1.64 0.00 0.00 33.01 31.76 1og0 s GLN 324 CO 0.14 -0.10 0.12 0.42 0.50 0.00 0.00 175.29 176.38 1og0 s ILE 326 N -0.40 0.31 0.00 -2.34 1.01 -1.26 -4.88 121.20 113.64 1og0 s ILE 326 Ca 0.02 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.62 1og0 s ILE 326 Cb -0.03 -1.26 0.00 0.00 0.01 0.00 0.00 42.46 41.18 1og0 s ILE 326 CO -0.05 -0.72 0.00 -0.81 0.00 0.00 0.00 174.94 173.36 1og0 n PRO 327 N 5.04 -0.81 -2.42 2.79 -0.04 -1.26 -4.88 135.00 133.41 1og0 n PRO 327 Ca -0.04 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.03 1og0 n PRO 327 Cb 0.42 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.90 1og0 n PRO 327 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1og0 n ALA 328 N -3.00 6.12 -4.00 0.55 0.00 -1.26 -5.03 120.51 113.90 1og0 n ALA 328 Ca 0.00 -4.45 0.04 0.00 0.00 0.00 0.00 53.44 49.03 1og0 n ALA 328 Cb 0.00 -2.01 0.01 0.00 0.00 0.00 0.00 19.45 17.45 1og0 n ALA 328 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1og0 s GLU 329 N -4.19 0.13 -0.42 0.00 2.12 -1.26 -5.05 118.70 110.03 1og0 s GLU 329 Ca 0.44 -0.09 -0.18 0.00 0.36 0.00 0.00 54.97 55.50 1og0 s GLU 329 Cb 0.28 0.04 0.02 0.00 0.26 0.00 0.00 34.13 34.73 1og0 s GLU 329 CO -0.22 -0.06 0.51 0.00 -0.54 0.00 0.00 175.26 174.94 1og0 s ALA 332 N -2.01 3.40 -1.79 6.30 0.00 -1.26 -4.77 121.76 121.62 1og0 s ALA 332 Ca 0.31 -1.38 0.16 0.00 0.00 0.00 0.00 51.96 51.05 1og0 s ALA 332 Cb 0.00 -3.13 0.25 0.00 0.00 0.00 0.00 23.12 20.25 1og0 s ALA 332 CO -0.02 -1.63 1.16 0.41 0.00 0.00 0.00 175.76 175.68 1og0 n GLY 333 N 5.07 1.15 3.04 0.00 0.00 -1.26 -5.03 105.19 108.15 1og0 n GLY 333 Ca -0.05 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 1og0 n GLY 333 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1og0 n LEU 334 N 0.95 -4.59 -4.87 0.99 4.32 -1.26 -4.96 117.00 107.58 1og0 n LEU 334 Ca 0.12 0.12 -0.31 0.00 -0.02 0.00 0.00 56.01 55.93 1og0 n LEU 334 Cb 0.45 -0.71 -0.03 0.00 -1.62 0.00 0.00 43.42 41.50 1og0 n LEU 334 CO 0.11 -4.69 0.52 -1.59 -1.22 0.00 0.00 177.39 170.52 1og0 s LYS 335 N -2.16 3.81 0.55 3.23 0.00 -1.26 -5.06 119.74 118.85 1og0 s LYS 335 Ca 0.40 0.61 -0.11 0.00 0.00 0.00 0.00 55.97 56.88 1og0 s LYS 335 Cb -0.09 -2.31 -0.05 0.00 0.00 0.00 0.00 37.83 35.38 1og0 s LYS 335 CO 0.76 -0.12 0.94 -0.47 0.00 0.00 0.00 175.35 176.45 1og0 s TYR 336 N -2.48 3.57 0.00 1.78 5.04 -1.26 -4.07 117.35 119.93 1og0 s TYR 336 Ca 0.53 1.18 0.00 0.00 -2.44 0.00 0.00 57.07 56.35 1og0 s TYR 336 Cb -0.10 -2.61 0.00 0.00 0.35 0.00 0.00 41.96 39.60 1og0 s TYR 336 CO 0.32 -0.48 0.00 0.41 -1.34 0.00 0.00 175.55 174.47 1og0 n GLY 337 N -2.29 0.11 3.56 8.97 0.00 -1.26 -4.84 105.19 109.44 1og0 n GLY 337 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1og0 n GLY 337 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1og0 s VAL 338 N -1.10 4.87 1.07 1.61 1.01 -1.26 -2.81 120.40 123.80 1og0 s VAL 338 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 1og0 s VAL 338 Cb 0.00 -3.27 0.23 0.00 0.00 0.00 0.00 36.38 33.34 1og0 s VAL 338 CO 0.00 0.34 1.07 -0.94 0.00 0.00 0.00 175.10 175.57 1og0 s SER 339 N 1.30 1.71 -0.08 3.32 1.04 -1.26 -4.64 113.70 115.10 1og0 s SER 339 Ca 0.06 1.71 0.12 0.00 0.48 0.00 0.00 55.95 58.33 1og0 s SER 339 Cb -0.15 -2.37 0.36 0.00 0.10 0.00 0.00 66.02 63.96 1og0 s SER 339 CO 0.05 -3.78 1.28 2.30 0.98 0.00 0.00 173.24 174.08 1og0 n ILE 340 N -4.65 1.55 0.00 -1.02 -5.35 -1.26 -0.30 119.36 108.33 1og0 n ILE 340 Ca 0.06 -1.43 0.00 0.00 -0.27 0.00 0.00 62.75 61.11 1og0 n ILE 340 Cb 0.54 0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.60 1og0 n ILE 340 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1og0 n THR 341 N -0.13 0.00 -1.64 7.28 -2.24 -1.26 -4.81 114.28 111.48 1og0 n THR 341 Ca 0.14 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.51 1og0 n THR 341 Cb 0.60 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.84 1og0 n THR 341 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1og0 n ASP 342 N 0.00 1.62 -4.76 3.42 8.00 -1.26 -4.57 116.55 119.01 1og0 n ASP 342 Ca 0.00 1.05 -0.40 0.00 0.71 0.00 0.00 54.79 56.14 1og0 n ASP 342 Cb 0.00 -1.40 -0.05 0.00 -0.02 0.00 0.00 41.12 39.65 1og0 n ASP 342 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1og0 s ALA 343 N -1.26 3.39 0.26 2.24 0.00 -1.26 -4.69 121.76 120.44 1og0 s ALA 343 Ca 0.63 0.81 0.11 0.00 0.00 0.00 0.00 51.96 53.52 1og0 s ALA 343 Cb -0.54 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.24 1og0 s ALA 343 CO 0.57 -0.05 -0.17 0.00 0.00 0.00 0.00 175.76 176.11 1og0 s ILE 345 N -2.35 3.77 1.11 0.00 -4.36 -0.96 -1.77 121.20 116.65 1og0 s ILE 345 Ca 0.29 1.13 -0.13 0.00 -0.26 0.00 0.00 60.65 61.68 1og0 s ILE 345 Cb -0.06 -3.47 0.25 0.00 1.25 0.00 0.00 42.46 40.44 1og0 s ILE 345 CO 0.15 -0.21 1.05 -0.83 0.24 0.00 0.00 174.94 175.34 1og0 s GLY 346 N -1.93 1.56 0.10 6.27 0.00 -1.26 -2.23 107.32 109.83 1og0 s GLY 346 Ca 0.66 -0.15 -0.26 0.00 0.00 0.00 0.00 44.72 44.97 1og0 s GLY 346 CO 0.21 0.53 1.66 -0.25 0.00 0.00 0.00 173.10 175.25 1og0 h TRP 347 N -2.42 -0.52 0.05 1.90 -0.00 -1.51 -2.04 115.95 111.43 1og0 h TRP 347 Ca -0.59 0.01 0.03 0.00 -0.00 0.00 0.00 58.89 58.33 1og0 h TRP 347 Cb 1.33 0.21 -0.05 0.00 -0.00 0.00 0.00 29.16 30.65 1og0 h TRP 347 CO 0.28 -0.29 -0.35 0.93 -0.00 0.00 0.00 178.44 179.02 1og0 h GLU 348 N -0.39 -0.51 -1.03 2.65 3.07 -1.90 0.31 114.58 116.77 1og0 h GLU 348 Ca 0.02 0.03 0.30 0.00 -0.50 0.00 0.00 59.36 59.21 1og0 h GLU 348 Cb 0.40 0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 28.38 1og0 h GLU 348 CO -0.09 -0.34 0.94 1.15 -1.40 0.00 0.00 179.01 179.26 1og0 h THR 349 N -0.53 0.21 0.12 1.13 2.02 -1.84 0.90 112.91 114.91 1og0 h THR 349 Ca 0.05 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.97 1og0 h THR 349 Cb 0.59 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1og0 h THR 349 CO -0.25 0.00 -1.30 0.74 0.37 0.00 0.00 175.52 175.08 1og0 h THR 350 N 0.00 1.11 -0.89 3.16 2.02 0.26 -2.52 112.91 116.05 1og0 h THR 350 Ca 0.49 -2.42 0.17 0.00 0.77 0.00 0.00 66.41 65.42 1og0 h THR 350 Cb 2.36 2.79 -0.07 0.00 -1.74 0.00 0.00 68.15 71.49 1og0 h THR 350 CO -0.01 0.70 0.58 -0.33 0.37 0.00 0.00 175.52 176.83 1og0 h GLU 351 N -0.33 0.54 0.09 6.66 5.08 0.94 -0.07 114.58 127.49 1og0 h GLU 351 Ca -0.28 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 57.91 1og0 h GLU 351 Cb 1.73 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.87 1og0 h GLU 351 CO 0.07 0.36 -0.69 -0.44 -1.00 0.00 0.00 179.01 177.31 1og0 h ASP 352 N 0.55 0.28 -0.62 1.42 3.32 -1.56 -2.48 116.42 117.33 1og0 h ASP 352 Ca 0.46 -0.92 0.13 0.00 0.02 0.00 0.00 57.03 56.72 1og0 h ASP 352 Cb 0.94 -0.09 -0.10 0.00 0.22 0.00 0.00 39.33 40.30 1og0 h ASP 352 CO -0.20 1.31 0.09 0.58 -1.72 0.00 0.00 179.24 179.30 1og0 h VAL 353 N -0.59 0.56 -0.21 -1.35 2.07 -0.93 -1.47 116.25 114.33 1og0 h VAL 353 Ca -0.14 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1og0 h VAL 353 Cb 1.44 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1og0 h VAL 353 CO 0.07 0.04 0.01 -0.07 0.02 0.00 0.00 177.57 177.64 1og0 h LEU 354 N 0.20 0.35 -0.74 2.57 3.38 -1.14 -2.64 115.31 117.30 1og0 h LEU 354 Ca 0.33 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 58.09 1og0 h LEU 354 Cb 0.52 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 1og0 h LEU 354 CO -0.47 0.55 0.41 0.03 0.09 0.00 0.00 178.44 179.05 1og0 h ARG 355 N 0.13 0.69 0.00 1.13 3.08 -0.92 0.14 114.38 118.63 1og0 h ARG 355 Ca 0.06 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 1og0 h ARG 355 Cb 0.36 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1og0 h ARG 355 CO 0.01 0.45 -0.28 -0.22 -1.07 0.00 0.00 179.97 178.86 1og0 h LYS 356 N 0.71 0.00 -0.04 0.04 3.64 -1.27 -1.73 116.57 117.91 1og0 h LYS 356 Ca 0.35 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.71 1og0 h LYS 356 Cb 0.30 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1og0 h LYS 356 CO -0.23 0.28 -0.04 1.25 -2.27 0.00 0.00 179.45 178.44 1og0 h LEU 357 N 0.00 0.11 -0.53 5.20 6.46 -0.44 -1.56 115.31 124.54 1og0 h LEU 357 Ca -0.00 -0.47 0.10 0.00 -0.12 0.00 0.00 57.88 57.38 1og0 h LEU 357 Cb 0.53 -0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.34 1og0 h LEU 357 CO 0.04 0.56 0.07 0.00 -0.62 0.00 0.00 178.44 178.48 1og0 h ALA 358 N 0.55 0.58 -0.36 1.25 0.00 -0.64 0.35 119.26 120.99 1og0 h ALA 358 Ca 0.01 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1og0 h ALA 358 Cb 0.53 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1og0 h ALA 358 CO 0.01 -0.34 0.05 0.00 0.00 0.00 0.00 179.25 178.97 1og0 h ALA 359 N 1.44 0.37 0.00 0.00 0.00 -1.22 0.55 119.26 120.40 1og0 h ALA 359 Ca 0.27 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1og0 h ALA 359 Cb 0.40 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1og0 h ALA 359 CO -0.39 -0.35 -0.01 0.00 0.00 0.00 0.00 179.25 178.50 1og0 h ALA 360 N 1.28 1.78 -0.04 0.00 0.00 0.03 0.11 119.26 122.42 1og0 h ALA 360 Ca 0.17 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1og0 h ALA 360 Cb 0.21 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1og0 h ALA 360 CO -0.24 0.01 -0.37 0.28 0.00 0.00 0.00 179.25 178.93 1og0 h VAL 361 N 0.00 1.45 -0.92 0.00 2.07 0.92 -2.17 116.25 117.60 1og0 h VAL 361 Ca -0.00 -1.85 0.07 0.00 0.82 0.00 0.00 66.70 65.74 1og0 h VAL 361 Cb 0.02 2.48 -0.07 0.00 -1.52 0.00 0.00 31.29 32.20 1og0 h VAL 361 CO 0.00 0.53 0.58 0.03 0.02 0.00 0.00 177.57 178.73 1og0 h ARG 362 N -0.22 1.01 -0.27 1.57 3.08 0.12 -0.92 114.38 118.75 1og0 h ARG 362 Ca -0.03 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.81 1og0 h ARG 362 Cb 1.05 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 1og0 h ARG 362 CO 0.07 0.67 -0.40 0.37 -1.07 0.00 0.00 179.97 179.61 1og0 h GLN 363 N 1.04 0.65 -0.80 0.04 5.75 -1.04 -2.59 115.11 118.17 1og0 h GLN 363 Ca 0.41 -0.33 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 1og0 h GLN 363 Cb 0.20 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.72 1og0 h GLN 363 CO -0.18 0.94 0.42 -0.09 -2.65 0.00 0.00 178.83 177.27 1og0 h ARG 364 N 0.53 1.12 -0.13 1.69 2.43 -0.56 0.02 114.38 119.47 1og0 h ARG 364 Ca 0.04 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1og0 h ARG 364 Cb 0.93 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 1og0 h ARG 364 CO 0.08 0.83 0.02 0.00 -1.51 0.00 0.00 179.97 179.39 1og0 h ARG 365 N 1.12 0.07 0.03 0.20 3.08 -1.00 -2.70 114.38 115.18 1og0 h ARG 365 Ca 0.28 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.34 1og0 h ARG 365 Cb 0.05 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1og0 h ARG 365 CO -0.04 0.05 -0.34 1.49 -1.07 0.00 0.00 179.97 180.05 1og0 h GLU 366 N 0.08 -0.44 0.00 0.04 4.57 -0.93 0.25 114.58 118.15 1og0 h GLU 366 Ca 0.06 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1og0 h GLU 366 Cb 0.06 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1og0 h GLU 366 CO -0.08 -0.29 0.39 0.28 -1.18 0.00 0.00 179.01 178.13 1og0 n VAL 367 N -4.40 0.54 -0.08 0.32 0.31 -0.10 -0.90 118.33 114.02 1og0 n VAL 367 Ca -0.05 0.57 -0.18 0.00 -0.01 0.00 0.00 64.34 64.67 1og0 n VAL 367 Cb 0.26 -1.57 -0.06 0.00 -0.91 0.00 0.00 33.84 31.56 1og0 n VAL 367 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1og0 n ASN 368 N -1.36 1.16 0.00 4.52 3.02 -0.05 -4.96 115.26 117.58 1og0 n ASN 368 Ca -0.00 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 1og0 n ASN 368 Cb 0.39 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 1og0 n ASN 368 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81