#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1og0 n ALA 19 N 0.00 -0.38 -3.90 4.61 0.00 -1.26 -4.97 120.51 114.62 1og0 n ALA 19 Ca 0.00 0.30 -0.33 0.00 0.00 0.00 0.00 53.44 53.40 1og0 n ALA 19 Cb 0.00 -1.99 -0.13 0.00 0.00 0.00 0.00 19.45 17.33 1og0 n ALA 19 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1og0 s GLU 20 N -1.71 1.84 0.38 0.00 2.12 -1.26 -5.08 118.70 115.00 1og0 s GLU 20 Ca 0.61 -2.04 0.03 0.00 0.36 0.00 0.00 54.97 53.94 1og0 s GLU 20 Cb -0.64 -3.41 -0.01 0.00 0.26 0.00 0.00 34.13 30.33 1og0 s GLU 20 CO 0.58 -1.03 0.13 0.39 -0.54 0.00 0.00 175.26 174.79 1og0 n GLU 21 N 4.12 0.62 -1.84 4.30 1.02 -1.26 -4.86 120.64 122.74 1og0 n GLU 21 Ca 0.02 -3.21 0.00 0.00 -0.02 0.00 0.00 57.16 53.96 1og0 n GLU 21 Cb 0.40 1.68 0.00 0.00 -0.02 0.00 0.00 31.44 33.50 1og0 n GLU 21 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1og0 n ASP 22 N -1.54 -0.66 0.24 1.62 8.00 -1.26 -4.73 116.55 118.22 1og0 n ASP 22 Ca -0.06 0.33 0.11 0.00 0.71 0.00 0.00 54.79 55.88 1og0 n ASP 22 Cb 0.57 -0.70 0.58 0.00 -0.02 0.00 0.00 41.12 41.55 1og0 n ASP 22 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1og0 h VAL 23 N 0.00 0.57 -0.40 2.53 -1.51 -2.02 -2.31 116.25 113.11 1og0 h VAL 23 Ca 0.00 -0.87 0.00 0.00 -1.23 0.00 0.00 66.70 64.60 1og0 h VAL 23 Cb 0.66 1.58 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 1og0 h VAL 23 CO 0.00 0.18 0.00 0.54 -1.23 0.00 0.00 177.57 177.06 1og0 n ARG 24 N -3.50 2.90 -3.55 5.19 1.74 -1.26 -4.86 116.66 113.32 1og0 n ARG 24 Ca -0.01 -2.24 -0.41 0.00 -0.77 0.00 0.00 57.85 54.42 1og0 n ARG 24 Cb 0.34 -1.39 -0.09 0.00 -1.02 0.00 0.00 32.46 30.30 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 -1.21 4.49 0.28 0.55 -1.09 -0.87 -4.95 121.20 118.40 1og0 s ILE 25 Ca 0.29 -1.30 0.37 0.00 -2.23 0.00 0.00 60.65 57.79 1og0 s ILE 25 Cb 0.17 -3.72 0.40 0.00 -1.58 0.00 0.00 42.46 37.73 1og0 s ILE 25 CO 0.18 -0.52 2.11 -0.07 -1.23 0.00 0.00 174.94 175.41 1og0 h LEU 26 N 8.49 0.00 0.00 2.97 3.38 -1.89 -3.48 115.31 124.79 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 0.79 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.93 1og0 n GLY 27 N -0.42 3.91 3.86 0.83 0.00 -1.26 -5.14 105.19 106.97 1og0 n GLY 27 Ca -0.01 -1.15 -0.23 0.00 0.00 0.00 0.00 46.02 44.64 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 3.22 0.03 1.61 1.51 -1.26 -5.13 117.35 115.34 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 -1.49 -0.02 0.00 -0.11 0.00 0.00 41.96 40.34 1og0 s TYR 28 CO 0.00 0.50 -0.12 -0.51 -1.11 0.00 0.00 175.55 174.32 1og0 s ASP 29 N -3.64 1.37 0.36 2.29 1.01 -1.26 -5.11 116.67 111.69 1og0 s ASP 29 Ca 0.33 -0.41 -0.28 0.00 0.71 0.00 0.00 52.55 52.90 1og0 s ASP 29 Cb -0.09 -0.08 -0.11 0.00 1.01 0.00 0.00 42.92 43.65 1og0 s ASP 29 CO 0.26 0.01 1.48 -2.16 0.21 0.00 0.00 175.17 174.97 1og0 s PRO 30 N -1.02 4.13 -0.10 8.23 0.04 -1.26 -5.00 135.00 140.02 1og0 s PRO 30 Ca -0.00 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1og0 s PRO 30 Cb -0.07 -2.98 0.02 0.00 0.04 0.00 0.00 34.50 31.50 1og0 s PRO 30 CO 0.01 -0.52 -0.09 -1.17 0.04 0.00 0.00 177.00 175.27 1og0 s LEU 31 N -1.86 1.33 0.31 -3.56 2.96 -1.26 -4.93 118.68 111.67 1og0 s LEU 31 Ca 0.54 -0.30 -0.30 0.00 -0.22 0.00 0.00 54.13 53.85 1og0 s LEU 31 Cb -0.46 -0.83 -0.12 0.00 0.50 0.00 0.00 46.19 45.28 1og0 s LEU 31 CO 0.60 -0.07 1.48 0.00 -1.32 0.00 0.00 176.35 177.04 1og0 n ALA 32 N 4.60 1.99 -1.50 5.97 0.00 -1.26 -4.96 120.51 125.36 1og0 n ALA 32 Ca -0.16 0.37 -0.30 0.00 0.00 0.00 0.00 53.44 53.35 1og0 n ALA 32 Cb 0.50 -2.38 0.08 0.00 0.00 0.00 0.00 19.45 17.66 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 0.19 4.67 0.11 0.00 1.04 -1.26 -4.82 113.70 113.63 1og0 s SER 33 Ca 0.61 1.47 -0.25 0.00 0.48 0.00 0.00 55.95 58.26 1og0 s SER 33 Cb -0.54 -2.24 -0.09 0.00 0.10 0.00 0.00 66.02 63.25 1og0 s SER 33 CO 0.54 -1.87 1.67 -0.65 0.98 0.00 0.00 173.24 173.91 1og0 h PRO 34 N -1.02 -0.31 -0.80 4.02 0.11 -1.79 -0.31 132.00 131.90 1og0 h PRO 34 Ca -0.46 0.02 0.17 0.00 0.11 0.00 0.00 66.00 65.84 1og0 h PRO 34 Cb 1.25 0.07 -0.11 0.00 0.11 0.00 0.00 31.00 32.32 1og0 h PRO 34 CO 0.57 -0.21 0.30 0.00 -0.21 0.00 0.00 178.00 178.45 1og0 h ALA 35 N 0.52 1.14 -0.21 -0.75 0.00 -0.59 0.25 119.26 119.63 1og0 h ALA 35 Ca 0.03 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1og0 h ALA 35 Cb 0.35 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1og0 h ALA 35 CO -0.10 -0.27 0.07 1.25 0.00 0.00 0.00 179.25 180.20 1og0 h LEU 36 N 0.39 0.31 -0.86 0.00 5.85 -1.65 -2.72 115.31 116.64 1og0 h LEU 36 Ca 0.46 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 1og0 h LEU 36 Cb 0.77 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1og0 h LEU 36 CO -0.47 0.43 0.40 0.25 -0.34 0.00 0.00 178.44 178.71 1og0 h LEU 37 N 0.17 1.12 -1.61 2.25 7.12 0.34 -1.33 115.31 123.36 1og0 h LEU 37 Ca 0.07 -0.14 0.00 0.00 0.13 0.00 0.00 57.88 57.94 1og0 h LEU 37 Cb 0.23 -0.29 0.00 0.00 -0.53 0.00 0.00 40.66 40.07 1og0 h LEU 37 CO -0.00 0.94 0.00 1.56 -0.13 0.00 0.00 178.44 180.81 1og0 h GLN 38 N 1.21 0.00 0.06 1.25 4.20 -0.41 0.21 115.11 121.63 1og0 h GLN 38 Ca 0.29 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.67 1og0 h GLN 38 Cb 0.13 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1og0 h GLN 38 CO -0.04 0.00 -1.84 0.28 -0.67 0.00 0.00 178.83 176.56 1og0 n VAL 39 N -2.69 1.66 -0.07 -0.54 0.31 -0.85 -3.45 118.33 112.70 1og0 n VAL 39 Ca -0.00 -0.42 -0.08 0.00 -0.01 0.00 0.00 64.34 63.83 1og0 n VAL 39 Cb 0.17 -1.82 -0.01 0.00 -0.91 0.00 0.00 33.84 31.27 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 -0.38 0.18 -3.14 5.55 4.20 -0.81 -3.26 115.11 117.46 1og0 h GLN 40 Ca -0.44 -0.01 -0.64 0.00 0.06 0.00 0.00 58.65 57.62 1og0 h GLN 40 Cb 1.75 -0.04 -0.40 0.00 0.30 0.00 0.00 27.48 29.09 1og0 h GLN 40 CO -0.07 0.12 -0.43 -0.89 -0.67 0.00 0.00 178.83 176.89 1og0 n ILE 41 N -5.05 2.07 -1.89 2.54 5.41 0.02 -5.09 119.36 117.37 1og0 n ILE 41 Ca -0.01 -4.95 -0.34 0.00 1.00 0.00 0.00 62.75 58.45 1og0 n ILE 41 Cb 0.10 -2.24 0.04 0.00 -0.71 0.00 0.00 39.64 36.82 1og0 n ILE 41 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1og0 s PRO 42 N -1.47 2.93 -0.18 0.38 0.04 -1.22 -4.63 135.00 130.84 1og0 s PRO 42 Ca 0.26 1.47 -0.17 0.00 0.04 0.00 0.00 61.00 62.60 1og0 s PRO 42 Cb -0.05 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1og0 s PRO 42 CO -0.16 -1.16 0.46 0.00 0.04 0.00 0.00 177.00 176.18 1og0 s ALA 43 N -2.15 3.53 0.77 8.56 0.00 -1.26 -5.02 121.76 126.19 1og0 s ALA 43 Ca 0.69 -0.40 -0.11 0.00 0.00 0.00 0.00 51.96 52.14 1og0 s ALA 43 Cb -0.22 -2.70 0.06 0.00 0.00 0.00 0.00 23.12 20.26 1og0 s ALA 43 CO 0.37 -0.28 1.11 0.95 0.00 0.00 0.00 175.76 177.91 1og0 s THR 44 N 1.27 3.10 0.42 0.00 -4.23 -1.26 -4.79 115.64 110.14 1og0 s THR 44 Ca 0.23 0.39 0.12 0.00 -1.18 0.00 0.00 61.69 61.24 1og0 s THR 44 Cb -0.15 -2.82 0.32 0.00 1.34 0.00 0.00 72.50 71.19 1og0 s THR 44 CO 0.09 -0.44 1.98 -0.65 -0.54 0.00 0.00 174.62 175.06 1og0 h PRO 45 N -1.02 0.46 0.05 3.99 0.11 -1.99 -1.33 132.00 132.28 1og0 h PRO 45 Ca -0.44 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 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 0.50 0.31 -0.02 1.15 -0.21 0.00 0.00 178.00 179.73 1og0 h THR 46 N 0.48 1.12 -0.51 -1.15 2.02 -1.91 -1.23 112.91 111.73 1og0 h THR 46 Ca 0.28 -0.54 0.10 0.00 0.77 0.00 0.00 66.41 67.02 1og0 h THR 46 Cb 0.48 1.47 -0.08 0.00 -1.74 0.00 0.00 68.15 68.28 1og0 h THR 46 CO -0.08 0.14 0.02 0.28 0.37 0.00 0.00 175.52 176.24 1og0 h SER 47 N -0.31 -0.18 0.34 4.18 0.02 -1.39 0.37 113.55 116.58 1og0 h SER 47 Ca -0.01 0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 1og0 h SER 47 Cb 0.28 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1og0 h SER 47 CO 0.01 -0.06 -0.34 -0.07 -1.14 0.00 0.00 176.83 175.23 1og0 h LEU 48 N 0.13 0.01 0.03 5.07 3.38 -1.22 -1.84 115.31 120.88 1og0 h LEU 48 Ca 0.26 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.02 1og0 h LEU 48 Cb 0.38 -0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.15 1og0 h LEU 48 CO -0.41 0.35 -0.83 -0.08 0.09 0.00 0.00 178.44 177.56 1og0 h GLU 49 N 0.01 0.51 -0.64 1.13 4.57 0.09 -2.94 114.58 117.31 1og0 h GLU 49 Ca -0.00 -0.59 0.06 0.00 -1.18 0.00 0.00 59.36 57.65 1og0 h GLU 49 Cb 0.61 0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 29.32 1og0 h GLU 49 CO 0.04 1.22 0.35 1.15 -1.18 0.00 0.00 179.01 180.59 1og0 h THR 50 N 0.05 0.96 -0.67 0.32 2.02 -0.16 -0.94 112.91 114.50 1og0 h THR 50 Ca -0.11 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1og0 h THR 50 Cb 1.53 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1og0 h THR 50 CO 0.16 0.12 0.34 0.00 0.37 0.00 0.00 175.52 176.51 1og0 h ALA 51 N 1.34 0.86 -0.50 6.16 0.00 -1.37 -1.69 119.26 124.06 1og0 h ALA 51 Ca 0.29 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1og0 h ALA 51 Cb 0.19 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1og0 h ALA 51 CO -0.18 0.41 -0.02 0.87 0.00 0.00 0.00 179.25 180.33 1og0 h LYS 52 N 0.92 0.89 -0.04 0.00 1.57 -1.25 -2.72 116.57 115.95 1og0 h LYS 52 Ca 0.23 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1og0 h LYS 52 Cb 0.09 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1og0 h LYS 52 CO -0.03 0.93 0.02 -0.09 -0.57 0.00 0.00 179.45 179.72 1og0 h ARG 53 N 0.76 0.06 -0.85 3.15 2.43 -0.98 -1.88 114.38 117.06 1og0 h ARG 53 Ca 0.14 -0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.43 1og0 h ARG 53 Cb 0.54 -0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.99 1og0 h ARG 53 CO 0.03 0.09 0.46 0.78 -1.51 0.00 0.00 179.97 179.82 1og0 h GLY 54 N 0.01 1.36 1.01 2.80 0.00 -1.25 -0.25 103.07 106.75 1og0 h GLY 54 Ca 0.01 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 1og0 h GLY 54 CO -0.00 0.03 0.02 3.21 0.00 0.00 0.00 176.54 179.79 1og0 h ARG 55 N 0.70 0.88 0.16 4.80 3.08 -1.20 -0.84 114.38 121.95 1og0 h ARG 55 Ca 0.44 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1og0 h ARG 55 Cb 0.55 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1og0 h ARG 55 CO -0.32 0.90 -0.08 0.00 -1.07 0.00 0.00 179.97 179.41 1og0 h ARG 56 N 0.74 -0.20 -0.42 0.04 3.08 -0.41 0.31 114.38 117.51 1og0 h ARG 56 Ca 0.14 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.21 1og0 h ARG 56 Cb 0.50 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1og0 h ARG 56 CO 0.02 -0.10 0.28 0.93 -1.07 0.00 0.00 179.97 180.03 1og0 h GLU 57 N -0.26 0.55 -0.56 0.04 5.08 -1.05 -1.03 114.58 117.34 1og0 h GLU 57 Ca -0.02 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1og0 h GLU 57 Cb 0.20 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1og0 h GLU 57 CO 0.04 0.36 0.37 0.00 -1.00 0.00 0.00 179.01 178.78 1og0 h ALA 58 N 1.16 0.72 -0.30 3.43 0.00 -1.04 -1.64 119.26 121.58 1og0 h ALA 58 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1og0 h ALA 58 Cb -0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1og0 h ALA 58 CO -0.04 0.14 0.20 0.82 0.00 0.00 0.00 179.25 180.37 1og0 h ILE 59 N 0.75 1.08 -0.78 0.00 2.04 -0.53 -1.59 117.51 118.49 1og0 h ILE 59 Ca 0.21 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1og0 h ILE 59 Cb -0.08 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 1og0 h ILE 59 CO -0.05 0.08 0.42 0.44 0.00 0.00 0.00 178.15 179.04 1og0 h ASP 60 N 0.40 0.98 -0.18 1.72 3.32 -0.93 -2.28 116.42 119.45 1og0 h ASP 60 Ca 0.11 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1og0 h ASP 60 Cb -0.04 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1og0 h ASP 60 CO -0.02 0.80 -0.04 0.40 -1.72 0.00 0.00 179.24 178.65 1og0 h ILE 61 N 1.08 1.29 0.00 0.35 2.04 -1.11 0.49 117.51 121.65 1og0 h ILE 61 Ca 0.27 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1og0 h ILE 61 Cb 0.04 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1og0 h ILE 61 CO -0.04 0.30 0.00 2.30 0.00 0.00 0.00 178.15 180.71 1og0 n ILE 62 N -4.66 0.59 0.91 -0.67 -5.35 -0.62 -2.86 119.36 106.70 1og0 n ILE 62 Ca -0.05 0.03 0.11 0.00 -0.27 0.00 0.00 62.75 62.57 1og0 n ILE 62 Cb 0.27 -0.80 0.08 0.00 -1.74 0.00 0.00 39.64 37.45 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 -1.90 0.00 -0.08 7.28 -2.24 -0.86 -0.81 114.28 115.67 1og0 n THR 63 Ca 0.05 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1og0 n THR 63 Cb 0.30 1.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 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 1.23 0.77 0.14 3.38 0.00 -1.06 -4.95 105.19 104.70 1og0 n GLY 64 Ca 0.12 0.00 0.13 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 3.74 0.00 -4.41 1.61 1.57 -1.18 -3.43 116.57 114.47 1og0 h LYS 65 Ca 0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.39 1og0 h LYS 65 Cb 0.00 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.00 1og0 h LYS 65 CO 0.00 0.00 -0.77 0.34 -0.57 0.00 0.00 179.45 178.45 1og0 s ASP 66 N -4.53 0.97 0.00 0.86 2.15 -0.84 -4.93 116.67 110.35 1og0 s ASP 66 Ca 0.05 -0.15 0.16 0.00 0.43 0.00 0.00 52.55 53.04 1og0 s ASP 66 Cb 0.10 -0.26 0.66 0.00 -0.30 0.00 0.00 42.92 43.11 1og0 s ASP 66 CO 0.47 0.04 1.46 -0.90 -0.17 0.00 0.00 175.17 176.07 1og0 n ASP 67 N 3.33 1.07 -4.89 -0.34 5.68 -1.26 -4.50 116.55 115.64 1og0 n ASP 67 Ca -0.18 -1.73 -0.29 0.00 -0.50 0.00 0.00 54.79 52.09 1og0 n ASP 67 Cb 0.55 -0.09 0.09 0.00 -1.14 0.00 0.00 41.12 40.52 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 -1.82 2.01 -0.18 0.11 0.52 -1.26 -4.97 118.95 113.36 1og0 s ARG 68 Ca 0.25 0.17 -0.05 0.00 -0.52 0.00 0.00 55.73 55.58 1og0 s ARG 68 Cb 0.13 -1.95 -0.03 0.00 0.52 0.00 0.00 34.95 33.62 1og0 s ARG 68 CO 0.20 -1.57 -0.01 0.08 0.02 0.00 0.00 175.30 174.01 1og0 s VAL 69 N -3.53 4.03 -0.05 3.52 1.01 -0.69 -4.90 120.40 119.79 1og0 s VAL 69 Ca 0.62 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 1og0 s VAL 69 Cb -0.11 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1og0 s VAL 69 CO 0.50 0.46 1.27 -0.22 0.00 0.00 0.00 175.10 177.10 1og0 s LEU 70 N 0.64 4.28 -0.22 3.92 2.96 0.78 -2.15 118.68 128.89 1og0 s LEU 70 Ca -0.01 1.89 0.02 0.00 -0.22 0.00 0.00 54.13 55.81 1og0 s LEU 70 Cb -0.14 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 43.03 1og0 s LEU 70 CO 0.02 -0.64 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.57 1og0 s VAL 71 N 2.37 2.13 -0.61 1.68 1.01 -0.67 -1.82 120.40 124.50 1og0 s VAL 71 Ca 0.58 -1.23 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 1og0 s VAL 71 Cb -0.26 -2.05 0.15 0.00 0.00 0.00 0.00 36.38 34.22 1og0 s VAL 71 CO 0.23 0.30 0.55 -0.63 0.00 0.00 0.00 175.10 175.55 1og0 s ILE 72 N 1.21 5.17 0.06 2.22 -1.09 -0.95 -0.99 121.20 126.83 1og0 s ILE 72 Ca -0.01 -1.84 0.08 0.00 -2.23 0.00 0.00 60.65 56.65 1og0 s ILE 72 Cb -0.16 -4.29 -0.03 0.00 -1.58 0.00 0.00 42.46 36.41 1og0 s ILE 72 CO -0.09 -0.90 -0.21 0.54 -1.23 0.00 0.00 174.94 173.04 1og0 s VAL 73 N 1.13 1.72 -5.00 2.92 0.11 -0.61 -1.98 120.40 118.70 1og0 s VAL 73 Ca 0.08 -1.33 0.00 0.00 -2.93 0.00 0.00 61.98 57.80 1og0 s VAL 73 Cb -0.24 -1.52 0.00 0.00 -1.53 0.00 0.00 36.38 33.09 1og0 s VAL 73 CO -0.01 0.13 0.00 0.61 -3.33 0.00 0.00 175.10 172.50 1og0 n GLY 74 N 1.58 -1.49 3.42 6.54 0.00 -1.04 -0.67 105.19 113.53 1og0 n GLY 74 Ca -0.18 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.29 -0.01 -0.19 1.61 -0.02 -0.26 -1.85 135.00 132.98 1og0 n PRO 75 Ca 0.00 0.04 -0.10 0.00 -2.02 0.00 0.00 63.50 61.43 1og0 n PRO 75 Cb 0.00 -1.82 0.01 0.00 -0.02 0.00 0.00 33.50 31.68 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 -6.53 -0.53 -0.22 0.00 1.04 -1.26 -4.60 113.70 101.61 1og0 s SER 77 Ca -0.12 0.63 -0.12 0.00 0.48 0.00 0.00 55.95 56.82 1og0 s SER 77 Cb 0.13 0.59 -0.05 0.00 0.10 0.00 0.00 66.02 66.79 1og0 s SER 77 CO 0.85 -0.51 0.22 -0.63 0.98 0.00 0.00 173.24 174.15 1og0 s ILE 78 N -0.99 5.33 0.00 -1.02 -1.09 0.32 -4.83 121.20 118.92 1og0 s ILE 78 Ca -0.10 0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.65 1og0 s ILE 78 Cb -0.02 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 1og0 s ILE 78 CO 0.07 0.34 0.25 0.00 -1.23 0.00 0.00 174.94 174.37 1og0 n HIS 79 N 4.15 0.00 -3.60 3.97 1.44 -1.26 -4.46 115.22 115.46 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 -0.03 2.52 0.37 4.39 -1.08 -1.26 -4.95 116.67 116.62 1og0 s ASP 80 Ca 0.00 -0.71 0.13 0.00 -0.52 0.00 0.00 52.55 51.45 1og0 s ASP 80 Cb 0.00 -0.26 0.72 0.00 -1.46 0.00 0.00 42.92 41.92 1og0 s ASP 80 CO 0.00 -0.36 1.82 -0.07 0.52 0.00 0.00 175.17 177.08 1og0 h LEU 81 N 8.42 0.00 0.18 -1.34 4.07 -1.98 -1.13 115.31 123.53 1og0 h LEU 81 Ca -0.16 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.79 1og0 h LEU 81 Cb 1.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.87 1og0 h LEU 81 CO 0.31 0.38 -0.09 -0.33 -1.08 0.00 0.00 178.44 177.63 1og0 h GLU 82 N 0.00 -0.24 -0.70 1.13 3.07 -1.99 -1.91 114.58 113.94 1og0 h GLU 82 Ca -0.00 0.02 0.03 0.00 -0.50 0.00 0.00 59.36 58.90 1og0 h GLU 82 Cb 0.68 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.60 1og0 h GLU 82 CO 0.05 0.15 0.46 0.00 -1.40 0.00 0.00 179.01 178.27 1og0 h ALA 83 N -0.07 1.59 -0.02 3.43 0.00 -1.98 -0.58 119.26 121.62 1og0 h ALA 83 Ca -0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1og0 h ALA 83 Cb 0.50 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1og0 h ALA 83 CO 0.04 0.34 -0.41 0.00 0.00 0.00 0.00 179.25 179.22 1og0 h ALA 84 N 1.59 1.28 -0.05 0.00 0.00 -1.19 -2.00 119.26 118.88 1og0 h ALA 84 Ca 0.28 -0.38 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 1og0 h ALA 84 Cb 0.04 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1og0 h ALA 84 CO -0.08 0.53 -0.90 0.37 0.00 0.00 0.00 179.25 179.18 1og0 h GLN 85 N 0.04 0.60 -0.27 0.00 5.75 -0.29 -0.94 115.11 120.00 1og0 h GLN 85 Ca 0.00 -0.57 -0.02 0.00 -0.15 0.00 0.00 58.65 57.91 1og0 h GLN 85 Cb 0.75 0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.43 1og0 h GLN 85 CO 0.06 1.19 0.09 1.49 -2.65 0.00 0.00 178.83 179.01 1og0 h GLU 86 N 0.37 0.41 -0.60 1.69 4.81 -1.12 -1.64 114.58 118.51 1og0 h GLU 86 Ca -0.08 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1og0 h GLU 86 Cb 1.52 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.81 1og0 h GLU 86 CO 0.17 0.47 0.38 -0.92 -0.73 0.00 0.00 179.01 178.39 1og0 h TYR 87 N 0.27 0.72 -0.67 0.92 5.03 -1.36 -2.24 116.97 119.65 1og0 h TYR 87 Ca 0.09 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.46 1og0 h TYR 87 Cb 0.23 -0.24 -0.05 0.00 1.55 0.00 0.00 36.73 38.22 1og0 h TYR 87 CO 0.00 0.44 0.39 0.00 -1.32 0.00 0.00 178.16 177.67 1og0 h ALA 88 N 1.24 0.89 -0.35 1.82 0.00 -0.80 0.10 119.26 122.15 1og0 h ALA 88 Ca 0.23 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1og0 h ALA 88 Cb -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1og0 h ALA 88 CO -0.07 0.11 0.21 -0.07 0.00 0.00 0.00 179.25 179.42 1og0 h LEU 89 N 0.75 0.33 0.08 0.00 -0.00 -0.80 0.21 115.31 115.88 1og0 h LEU 89 Ca 0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.17 1og0 h LEU 89 Cb 0.11 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 1og0 h LEU 89 CO -0.15 0.24 -0.04 0.03 -0.00 0.00 0.00 178.44 178.52 1og0 h ARG 90 N 0.42 -0.11 -0.06 1.13 3.08 -0.84 -1.94 114.38 116.05 1og0 h ARG 90 Ca 0.14 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 1og0 h ARG 90 Cb 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1og0 h ARG 90 CO -0.06 -0.07 -0.09 1.25 -1.07 0.00 0.00 179.97 179.92 1og0 h LEU 91 N -0.11 0.08 -0.45 3.04 5.85 -0.76 -2.33 115.31 120.64 1og0 h LEU 91 Ca -0.01 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.55 1og0 h LEU 91 Cb 0.09 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1og0 h LEU 91 CO 0.02 0.19 -0.36 0.50 -0.34 0.00 0.00 178.44 178.45 1og0 h LYS 92 N 0.09 0.90 0.86 1.25 1.63 -0.19 -0.64 116.57 120.48 1og0 h LYS 92 Ca 0.02 -0.46 -0.04 0.00 -0.85 0.00 0.00 60.65 59.32 1og0 h LYS 92 Cb 0.22 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 31.87 1og0 h LYS 92 CO 0.01 1.11 -0.41 -0.22 -3.45 0.00 0.00 179.45 176.49 1og0 h LYS 93 N 0.74 -1.11 -0.78 1.90 3.64 -0.82 -2.39 116.57 117.75 1og0 h LYS 93 Ca 0.07 0.08 0.15 0.00 -1.27 0.00 0.00 60.65 59.67 1og0 h LYS 93 Cb 0.94 0.25 -0.10 0.00 -0.41 0.00 0.00 32.23 32.92 1og0 h LYS 93 CO 0.09 -0.74 0.31 1.25 -2.27 0.00 0.00 179.45 178.10 1og0 h LEU 94 N -1.24 0.29 -2.01 5.20 5.85 -1.54 0.26 115.31 122.11 1og0 h LEU 94 Ca -0.12 0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.82 1og0 h LEU 94 Cb 0.89 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1og0 h LEU 94 CO 0.19 0.09 0.26 -1.28 -0.34 0.00 0.00 178.44 177.36 1og0 h SER 95 N 0.44 0.00 -0.04 1.25 0.87 -0.90 0.94 113.55 116.11 1og0 h SER 95 Ca 0.43 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.78 1og0 h SER 95 Cb 0.68 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1og0 h SER 95 CO -0.42 0.00 -0.79 0.44 -0.53 0.00 0.00 176.83 175.53 1og0 h ASP 96 N 0.00 0.77 -0.42 6.23 3.32 0.01 -1.95 116.42 124.39 1og0 h ASP 96 Ca 0.17 -0.71 0.00 0.00 0.02 0.00 0.00 57.03 56.51 1og0 h ASP 96 Cb 0.68 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1og0 h ASP 96 CO -0.00 1.37 0.27 -0.08 -1.72 0.00 0.00 179.24 179.08 1og0 h GLU 97 N 0.24 0.56 -0.65 3.56 4.81 -0.50 -3.10 114.58 119.50 1og0 h GLU 97 Ca -0.09 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1og0 h GLU 97 Cb 1.45 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1og0 h GLU 97 CO 0.16 0.38 0.00 1.28 -0.73 0.00 0.00 179.01 180.09 1og0 n LEU 98 N -4.79 4.30 0.00 1.64 4.77 0.14 -4.49 117.00 118.57 1og0 n LEU 98 Ca 0.01 -2.17 0.06 0.00 -0.03 0.00 0.00 56.01 53.88 1og0 n LEU 98 Cb 0.03 -0.54 0.36 0.00 -2.33 0.00 0.00 43.42 40.93 1og0 n LEU 98 CO 0.35 0.75 0.57 2.29 -1.33 0.00 0.00 177.39 180.01 1og0 n LYS 99 N 1.03 0.38 0.07 3.23 2.85 -0.73 0.25 118.16 125.24 1og0 n LYS 99 Ca 0.23 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.50 1og0 n LYS 99 Cb 0.80 -1.49 -0.05 0.00 -0.65 0.00 0.00 35.03 33.64 1og0 n LYS 99 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1og0 h GLY 100 N 1.92 0.00 0.00 2.58 0.00 -1.85 -3.41 103.07 102.31 1og0 h GLY 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1og0 h GLY 100 CO 0.00 0.00 -1.00 1.22 0.00 0.00 0.00 176.54 176.76 1og0 n ASP 101 N -3.02 4.08 -4.50 0.19 8.00 -0.61 -4.89 116.55 115.80 1og0 n ASP 101 Ca -0.05 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.10 1og0 n ASP 101 Cb 0.81 0.05 -0.12 0.00 -0.02 0.00 0.00 41.12 41.84 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 -4.89 3.33 -0.59 0.64 1.43 0.14 -1.70 118.68 117.04 1og0 s LEU 102 Ca 0.00 -0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 52.86 1og0 s LEU 102 Cb 0.00 -1.82 0.15 0.00 0.03 0.00 0.00 46.19 44.55 1og0 s LEU 102 CO 0.00 0.14 0.50 -0.55 0.23 0.00 0.00 176.35 176.67 1og0 s SER 103 N 0.54 6.08 0.29 2.29 0.15 -0.91 -3.87 113.70 118.27 1og0 s SER 103 Ca -0.02 -2.12 -0.11 0.00 0.70 0.00 0.00 55.95 54.41 1og0 s SER 103 Cb -0.14 -2.12 -0.07 0.00 -1.71 0.00 0.00 66.02 61.98 1og0 s SER 103 CO 0.02 -0.70 0.64 -0.63 1.20 0.00 0.00 173.24 173.77 1og0 s ILE 104 N 1.07 4.85 -0.09 6.45 1.01 -1.26 -1.66 121.20 131.56 1og0 s ILE 104 Ca 0.08 0.57 -0.04 0.00 0.00 0.00 0.00 60.65 61.26 1og0 s ILE 104 Cb -0.24 -3.65 0.05 0.00 0.01 0.00 0.00 42.46 38.63 1og0 s ILE 104 CO -0.01 -0.21 0.21 -0.63 0.00 0.00 0.00 174.94 174.30 1og0 s ILE 105 N -1.99 -0.09 0.41 2.92 1.01 -0.16 -4.60 121.20 118.70 1og0 s ILE 105 Ca 0.49 0.18 -0.22 0.00 0.00 0.00 0.00 60.65 61.11 1og0 s ILE 105 Cb -0.11 -0.34 -0.11 0.00 0.01 0.00 0.00 42.46 41.91 1og0 s ILE 105 CO 0.23 0.08 0.95 -0.32 0.00 0.00 0.00 174.94 175.88 1og0 s MET 106 N 1.42 4.29 -0.41 2.79 -2.45 -0.27 -1.57 119.30 123.10 1og0 s MET 106 Ca -0.07 1.16 -0.24 0.00 -1.25 0.00 0.00 55.69 55.29 1og0 s MET 106 Cb -0.11 -2.29 0.02 0.00 1.25 0.00 0.00 34.83 33.70 1og0 s MET 106 CO -0.08 0.02 0.84 1.03 1.05 0.00 0.00 175.02 177.89 1og0 s ARG 107 N -2.98 3.64 -0.73 4.11 0.52 0.15 -0.85 118.95 122.81 1og0 s ARG 107 Ca 0.60 0.24 0.04 0.00 -0.52 0.00 0.00 55.73 56.08 1og0 s ARG 107 Cb -0.11 -3.86 0.24 0.00 0.52 0.00 0.00 34.95 31.73 1og0 s ARG 107 CO 0.15 -1.01 0.78 0.00 0.02 0.00 0.00 175.30 175.23 1og0 n ALA 108 N 6.73 4.03 -2.65 2.13 0.00 -0.10 -4.08 120.51 126.57 1og0 n ALA 108 Ca 0.04 -4.71 -0.37 0.00 0.00 0.00 0.00 53.44 48.40 1og0 n ALA 108 Cb 0.48 -1.16 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 1og0 n ALA 108 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1og0 s TYR 109 N -2.19 3.62 -0.08 0.00 1.51 -1.26 -4.42 117.35 114.52 1og0 s TYR 109 Ca 0.34 0.80 -0.11 0.00 -1.01 0.00 0.00 57.07 57.09 1og0 s TYR 109 Cb 0.07 -2.26 -0.29 0.00 -0.11 0.00 0.00 41.96 39.38 1og0 s TYR 109 CO -0.05 0.52 0.56 -0.07 -1.11 0.00 0.00 175.55 175.41 1og0 h LEU 110 N 5.42 0.51 -9.43 -1.29 -0.00 -1.88 0.93 115.31 109.57 1og0 h LEU 110 Ca -0.49 -0.92 -0.55 0.00 -0.00 0.00 0.00 57.88 55.93 1og0 h LEU 110 Cb 1.20 -0.17 -0.13 0.00 -0.00 0.00 0.00 40.66 41.56 1og0 h LEU 110 CO 0.66 1.77 -0.61 -1.61 -0.00 0.00 0.00 178.44 178.64 1og0 s GLU 111 N -2.55 1.79 -0.04 1.13 0.41 -1.26 -1.37 118.70 116.81 1og0 s GLU 111 Ca -0.19 -2.00 0.05 0.00 -0.41 0.00 0.00 54.97 52.42 1og0 s GLU 111 Cb 0.05 -1.25 -0.01 0.00 -1.78 0.00 0.00 34.13 31.15 1og0 s GLU 111 CO 0.81 -0.11 -0.20 0.21 -0.49 0.00 0.00 175.26 175.48 1og0 s LYS 112 N -3.80 1.94 -0.35 1.61 2.36 -1.26 -4.84 119.74 115.39 1og0 s LYS 112 Ca 0.36 -0.71 -0.35 0.00 -2.55 0.00 0.00 55.97 52.72 1og0 s LYS 112 Cb 0.09 -1.71 -0.11 0.00 -1.05 0.00 0.00 37.83 35.05 1og0 s LYS 112 CO 0.17 0.32 2.20 -2.30 1.55 0.00 0.00 175.35 177.29 1og0 n PRO 113 N 2.96 1.07 -2.16 4.03 -0.02 -1.26 -4.98 135.00 134.65 1og0 n PRO 113 Ca -0.17 0.29 -0.26 0.00 -2.02 0.00 0.00 63.50 61.33 1og0 n PRO 113 Cb 0.53 -2.47 0.07 0.00 -0.02 0.00 0.00 33.50 31.60 1og0 n PRO 113 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1og0 s ARG 114 N 6.28 2.18 1.18 -0.52 1.81 -1.26 -5.16 118.95 123.45 1og0 s ARG 114 Ca 1.10 -0.19 0.00 0.00 -1.72 0.00 0.00 55.73 54.91 1og0 s ARG 114 Cb -0.85 -2.14 0.00 0.00 -0.45 0.00 0.00 34.95 31.52 1og0 s ARG 114 CO 0.48 -1.28 0.00 0.41 -0.68 0.00 0.00 175.30 174.23 1og0 n GLY 118 N -2.98 0.35 3.25 -3.53 0.00 -1.26 -5.24 105.19 95.79 1og0 n GLY 118 Ca 0.08 -0.73 -0.59 0.00 0.00 0.00 0.00 46.02 44.78 1og0 n GLY 118 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1og0 n TRP 119 N -0.28 1.44 1.39 1.61 -0.00 -1.26 -4.82 117.44 115.52 1og0 n TRP 119 Ca 0.00 0.94 0.02 0.00 -0.00 0.00 0.00 57.50 58.46 1og0 n TRP 119 Cb 0.00 -2.01 0.12 0.00 -0.00 0.00 0.00 31.31 29.41 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 4.37 0.69 0.00 5.87 5.02 -1.26 -4.80 118.16 128.06 1og0 n LYS 120 Ca 0.33 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 1og0 n LYS 120 Cb -0.05 -1.09 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 0.23 2.15 0.27 0.72 0.00 -1.26 -4.50 105.19 102.79 1og0 n GLY 121 Ca 0.03 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 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 1.00 -0.38 0.99 5.85 -1.44 -0.21 115.31 121.12 1og0 h LEU 122 Ca 0.00 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1og0 h LEU 122 Cb 0.00 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1og0 h LEU 122 CO 0.00 1.25 0.18 0.40 -0.34 0.00 0.00 178.44 179.93 1og0 h ILE 123 N 0.77 1.17 0.23 4.05 2.04 -1.81 -2.28 117.51 121.68 1og0 h ILE 123 Ca 0.07 -0.47 -0.34 0.00 1.00 0.00 0.00 64.86 65.11 1og0 h ILE 123 Cb 0.96 0.78 0.03 0.00 -0.74 0.00 0.00 36.82 37.85 1og0 h ILE 123 CO 0.09 0.18 -1.58 0.78 0.00 0.00 0.00 178.15 177.61 1og0 h ASN 124 N 0.47 0.77 -1.95 1.72 -0.26 -1.78 -3.32 115.58 111.23 1og0 h ASN 124 Ca 0.13 -0.92 -0.51 0.00 -0.56 0.00 0.00 56.30 54.44 1og0 h ASN 124 Cb 0.11 -0.25 -0.41 0.00 -1.06 0.00 0.00 38.32 36.71 1og0 h ASN 124 CO -0.02 1.74 -0.99 -0.67 -1.06 0.00 0.00 177.43 176.44 1og0 n ASP 125 N -3.67 2.35 0.25 5.81 2.03 -0.09 -1.36 116.55 121.86 1og0 n ASP 125 Ca -0.20 -3.24 0.09 0.00 0.52 0.00 0.00 54.79 51.96 1og0 n ASP 125 Cb 1.10 -0.58 0.47 0.00 -0.72 0.00 0.00 41.12 41.39 1og0 n ASP 125 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1og0 h PRO 126 N 2.96 0.00 -0.01 -0.67 0.13 -1.54 0.15 132.00 133.03 1og0 h PRO 126 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1og0 h PRO 126 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1og0 h PRO 126 CO 0.63 0.00 -0.36 -0.25 -0.23 0.00 0.00 178.00 177.79 1og0 n ASP 127 N -2.41 0.99 -3.89 1.44 8.00 -1.26 -4.94 116.55 114.49 1og0 n ASP 127 Ca -0.01 -0.81 -0.26 0.00 0.71 0.00 0.00 54.79 54.42 1og0 n ASP 127 Cb 0.45 0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 1og0 n ASP 127 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1og0 n VAL 128 N -0.82 -3.17 -2.03 2.53 0.31 0.04 -4.82 118.33 110.37 1og0 n VAL 128 Ca 0.10 -0.37 0.01 0.00 -0.01 0.00 0.00 64.34 64.07 1og0 n VAL 128 Cb 0.35 -2.97 0.01 0.00 -0.91 0.00 0.00 33.84 30.33 1og0 n VAL 128 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1og0 n ASN 129 N -2.95 0.25 -2.35 4.52 6.94 -1.26 -3.68 115.26 116.73 1og0 n ASN 129 Ca -0.21 -2.06 -0.20 0.00 -0.02 0.00 0.00 54.58 52.08 1og0 n ASN 129 Cb 0.64 -0.23 -0.01 0.00 -2.36 0.00 0.00 39.78 37.82 1og0 n ASN 129 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1og0 n ASN 130 N -0.00 -5.70 -4.80 0.53 5.15 -1.26 -5.01 115.26 104.18 1og0 n ASN 130 Ca 0.02 0.04 -0.23 0.00 -0.60 0.00 0.00 54.58 53.80 1og0 n ASN 130 Cb 0.76 -4.77 -0.06 0.00 -0.53 0.00 0.00 39.78 35.19 1og0 n ASN 130 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1og0 s THR 131 N -2.98 2.46 0.06 -0.44 -4.23 -1.26 -5.13 115.64 104.13 1og0 s THR 131 Ca 0.00 -1.55 0.06 0.00 -1.18 0.00 0.00 61.69 59.02 1og0 s THR 131 Cb 0.00 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.80 1og0 s THR 131 CO 0.00 -0.00 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.60 1og0 s PHE 132 N -2.55 2.71 -0.36 3.99 0.08 -1.26 -4.29 117.98 116.30 1og0 s PHE 132 Ca 0.44 -0.16 -0.01 0.00 0.12 0.00 0.00 56.93 57.32 1og0 s PHE 132 Cb 0.01 -1.48 0.27 0.00 -0.57 0.00 0.00 43.02 41.25 1og0 s PHE 132 CO 0.25 0.36 1.17 -1.71 -0.10 0.00 0.00 175.22 175.19 1og0 n ASN 133 N 1.16 -1.62 -0.25 1.36 2.85 -0.47 -5.01 115.26 113.29 1og0 n ASN 133 Ca -0.15 -2.10 0.05 0.00 -0.11 0.00 0.00 54.58 52.27 1og0 n ASN 133 Cb 0.52 0.95 0.18 0.00 1.24 0.00 0.00 39.78 42.67 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 1.64 0.62 -0.53 -1.44 5.03 -1.75 -1.04 117.51 120.03 1og0 h ILE 134 Ca -0.22 -0.13 0.09 0.00 -0.12 0.00 0.00 64.86 64.49 1og0 h ILE 134 Cb 1.17 0.21 -0.07 0.00 -3.03 0.00 0.00 36.82 35.10 1og0 h ILE 134 CO -0.08 0.07 0.12 0.78 -0.68 0.00 0.00 178.15 178.35 1og0 h ASN 135 N 0.37 0.03 0.24 1.72 2.35 -1.92 0.65 115.58 119.02 1og0 h ASN 135 Ca 0.40 0.09 -0.15 0.00 -0.55 0.00 0.00 56.30 56.10 1og0 h ASN 135 Cb 0.63 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 1og0 h ASN 135 CO -0.43 0.04 -0.56 0.50 -1.65 0.00 0.00 177.43 175.32 1og0 h LYS 136 N 0.26 0.34 -0.36 0.81 3.64 -1.82 -2.52 116.57 116.92 1og0 h LYS 136 Ca 0.27 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1og0 h LYS 136 Cb 0.37 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1og0 h LYS 136 CO -0.34 0.82 0.18 0.78 -2.27 0.00 0.00 179.45 178.61 1og0 h GLY 137 N 1.31 0.55 1.85 5.01 0.00 0.45 0.19 103.07 112.43 1og0 h GLY 137 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 1og0 h GLY 137 CO 0.09 0.26 -0.19 1.41 0.00 0.00 0.00 176.54 178.12 1og0 h LEU 138 N 0.45 0.18 -0.03 3.11 3.38 0.26 0.17 115.31 122.82 1og0 h LEU 138 Ca 0.12 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1og0 h LEU 138 Cb 0.11 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1og0 h LEU 138 CO -0.02 0.38 -0.01 1.56 0.09 0.00 0.00 178.44 180.45 1og0 h GLN 139 N 0.18 0.06 0.10 1.13 4.20 -0.93 -0.85 115.11 118.99 1og0 h GLN 139 Ca 0.03 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1og0 h GLN 139 Cb 0.44 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1og0 h GLN 139 CO 0.03 0.42 -0.09 0.77 -0.67 0.00 0.00 178.83 179.28 1og0 h SER 140 N -0.31 -0.25 -0.24 1.46 0.02 -0.67 0.15 113.55 113.72 1og0 h SER 140 Ca 0.01 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1og0 h SER 140 Cb 0.40 0.09 -0.07 0.00 0.14 0.00 0.00 62.40 62.95 1og0 h SER 140 CO 0.00 -0.15 -0.45 0.00 -1.14 0.00 0.00 176.83 175.10 1og0 h ALA 141 N 0.67 -0.59 -0.57 3.77 0.00 -0.62 0.22 119.26 122.13 1og0 h ALA 141 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1og0 h ALA 141 Cb 0.20 0.87 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1og0 h ALA 141 CO -0.02 -0.94 0.13 -0.09 0.00 0.00 0.00 179.25 178.33 1og0 h ARG 142 N -0.45 0.90 -0.33 0.00 2.43 -0.93 -1.39 114.38 114.61 1og0 h ARG 142 Ca 0.09 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1og0 h ARG 142 Cb 0.62 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1og0 h ARG 142 CO -0.47 0.81 0.17 0.37 -1.51 0.00 0.00 179.97 179.34 1og0 h GLN 143 N 0.86 0.48 0.20 0.20 5.75 -0.04 -0.93 115.11 121.62 1og0 h GLN 143 Ca 0.18 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.63 1og0 h GLN 143 Cb 0.33 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.76 1og0 h GLN 143 CO 0.00 0.43 -0.38 1.25 -2.65 0.00 0.00 178.83 177.48 1og0 h LEU 144 N 0.41 -1.09 -1.25 -2.39 5.85 -0.24 0.35 115.31 116.95 1og0 h LEU 144 Ca 0.12 0.11 0.14 0.00 0.84 0.00 0.00 57.88 59.09 1og0 h LEU 144 Cb 0.10 0.40 -0.07 0.00 0.37 0.00 0.00 40.66 41.46 1og0 h LEU 144 CO -0.02 -0.48 0.58 -0.26 -0.34 0.00 0.00 178.44 177.92 1og0 h PHE 145 N -0.66 0.87 -0.17 1.25 -1.00 -1.09 -0.66 116.94 115.47 1og0 h PHE 145 Ca 0.01 0.02 -0.08 0.00 2.81 0.00 0.00 57.97 60.74 1og0 h PHE 145 Cb 0.66 -0.27 -0.00 0.00 3.61 0.00 0.00 35.95 39.94 1og0 h PHE 145 CO -0.30 0.33 -0.19 0.28 -1.61 0.00 0.00 178.31 176.82 1og0 h VAL 146 N 0.74 1.34 -0.46 -0.55 2.07 -0.10 -2.05 116.25 117.24 1og0 h VAL 146 Ca 0.45 -1.36 0.06 0.00 0.82 0.00 0.00 66.70 66.67 1og0 h VAL 146 Cb 0.66 1.84 -0.05 0.00 -1.52 0.00 0.00 31.29 32.22 1og0 h VAL 146 CO -0.21 0.41 0.14 0.78 0.02 0.00 0.00 177.57 178.71 1og0 h ASN 147 N 0.08 0.12 0.53 0.57 2.35 0.71 0.14 115.58 120.08 1og0 h ASN 147 Ca 0.03 0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 1og0 h ASN 147 Cb 0.73 0.06 0.01 0.00 0.05 0.00 0.00 38.32 39.17 1og0 h ASN 147 CO 0.05 0.10 -0.25 -0.07 -1.65 0.00 0.00 177.43 175.60 1og0 h LEU 148 N 0.30 -0.60 -2.42 1.61 3.38 -1.15 -3.10 115.31 113.32 1og0 h LEU 148 Ca 0.22 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.23 1og0 h LEU 148 Cb 0.24 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1og0 h LEU 148 CO -0.24 -0.33 0.17 0.71 0.09 0.00 0.00 178.44 178.83 1og0 h THR 149 N -0.91 0.19 0.00 0.22 1.35 -1.37 -1.31 112.91 111.08 1og0 h THR 149 Ca -0.07 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.71 1og0 h THR 149 Cb 0.55 0.85 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 1og0 h THR 149 CO 0.12 0.00 -0.36 -1.13 -0.25 0.00 0.00 175.52 173.90 1og0 h ASN 150 N 0.00 0.00 -0.35 5.36 -1.24 -0.88 -2.23 115.58 116.24 1og0 h ASN 150 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.04 1og0 h ASN 150 Cb 0.37 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.42 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 -3.99 0.49 -0.50 2.57 -5.35 -0.50 -4.66 119.36 107.41 1og0 n ILE 151 Ca -0.02 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 1og0 n ILE 151 Cb 0.41 0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 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 1.04 0.74 3.39 3.28 0.00 -0.84 -5.06 105.19 107.74 1og0 n GLY 152 Ca 0.12 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 4.52 0.90 0.99 2.96 -1.24 -4.96 118.68 121.85 1og0 s LEU 153 Ca 0.00 -0.85 -0.10 0.00 -0.22 0.00 0.00 54.13 52.96 1og0 s LEU 153 Cb 0.00 -2.01 0.14 0.00 0.50 0.00 0.00 46.19 44.81 1og0 s LEU 153 CO 0.00 -0.32 1.15 -2.84 -1.32 0.00 0.00 176.35 173.02 1og0 s PRO 154 N 1.57 1.13 0.10 0.98 0.02 -1.26 -3.55 135.00 133.99 1og0 s PRO 154 Ca 0.03 1.55 0.03 0.00 0.02 0.00 0.00 61.00 62.62 1og0 s PRO 154 Cb -0.18 -1.74 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 1og0 s PRO 154 CO 0.06 -2.55 -0.08 0.96 -0.33 0.00 0.00 177.00 175.07 1og0 s ILE 155 N -2.62 0.81 0.06 2.83 -4.36 -1.26 -1.11 121.20 115.54 1og0 s ILE 155 Ca 0.67 -1.86 0.02 0.00 -0.26 0.00 0.00 60.65 59.22 1og0 s ILE 155 Cb -0.23 -1.60 -0.03 0.00 1.25 0.00 0.00 42.46 41.85 1og0 s ILE 155 CO 0.57 -0.77 -0.08 -0.83 0.24 0.00 0.00 174.94 174.07 1og0 s GLY 156 N -2.89 0.58 0.20 6.27 0.00 -0.03 -1.58 107.32 109.87 1og0 s GLY 156 Ca 0.10 -0.90 -0.14 0.00 0.00 0.00 0.00 44.72 43.79 1og0 s GLY 156 CO -0.03 -0.96 0.45 -0.45 0.00 0.00 0.00 173.10 172.11 1og0 s SER 157 N -1.89 -0.13 0.05 1.64 0.15 -0.75 -0.92 113.70 111.85 1og0 s SER 157 Ca -0.05 -0.71 -0.24 0.00 0.70 0.00 0.00 55.95 55.65 1og0 s SER 157 Cb -0.07 0.54 -0.06 0.00 -1.71 0.00 0.00 66.02 64.73 1og0 s SER 157 CO -0.01 -1.04 0.73 -0.70 1.20 0.00 0.00 173.24 173.42 1og0 s GLU 158 N -3.94 4.46 -1.07 5.44 2.12 -1.26 -1.36 118.70 123.09 1og0 s GLU 158 Ca 0.15 1.00 -0.19 0.00 0.36 0.00 0.00 54.97 56.29 1og0 s GLU 158 Cb 0.00 -3.34 0.10 0.00 0.26 0.00 0.00 34.13 31.16 1og0 s GLU 158 CO 0.01 0.36 1.38 -1.64 -0.54 0.00 0.00 175.26 174.83 1og0 s MET 159 N -0.29 3.75 0.11 4.30 -1.94 -1.04 -4.87 119.30 119.33 1og0 s MET 159 Ca 0.36 -1.76 -0.25 0.00 -1.71 0.00 0.00 55.69 52.34 1og0 s MET 159 Cb -0.20 -5.18 -0.08 0.00 2.01 0.00 0.00 34.83 31.38 1og0 s MET 159 CO 0.22 -1.98 1.67 -0.07 -0.01 0.00 0.00 175.02 174.84 1og0 h LEU 160 N 11.36 -0.50 0.00 -0.03 3.38 -1.94 -3.47 115.31 124.11 1og0 h LEU 160 Ca 0.25 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.20 1og0 h LEU 160 Cb 0.97 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1og0 h LEU 160 CO 1.29 -0.24 -0.06 -0.90 0.09 0.00 0.00 178.44 178.62 1og0 n ASP 161 N -5.31 -0.29 -0.78 -0.43 5.75 -1.26 -5.05 116.55 109.18 1og0 n ASP 161 Ca -0.06 -1.49 0.07 0.00 -0.01 0.00 0.00 54.79 53.31 1og0 n ASP 161 Cb 0.22 0.57 0.20 0.00 -1.03 0.00 0.00 41.12 41.09 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 -0.15 0.55 -0.02 2.12 -2.24 -1.26 -4.38 114.28 108.91 1og0 n THR 162 Ca 0.01 -0.56 -0.03 0.00 -2.27 0.00 0.00 64.05 61.19 1og0 n THR 162 Cb 0.15 0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 68.67 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 0.74 0.17 -0.22 2.28 5.41 -1.26 -4.47 119.36 122.01 1og0 n ILE 163 Ca 0.15 -0.05 -0.02 0.00 1.00 0.00 0.00 62.75 63.82 1og0 n ILE 163 Cb 0.36 -1.26 0.04 0.00 -0.71 0.00 0.00 39.64 38.07 1og0 n ILE 163 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1og0 h SER 164 N -0.08 -0.93 -1.15 4.38 0.02 -1.99 -1.85 113.55 111.95 1og0 h SER 164 Ca -0.08 0.22 0.40 0.00 -0.84 0.00 0.00 61.79 61.50 1og0 h SER 164 Cb 1.08 0.51 -0.15 0.00 0.14 0.00 0.00 62.40 63.99 1og0 h SER 164 CO -0.04 -0.27 0.69 -0.65 -1.14 0.00 0.00 176.83 175.42 1og0 h PRO 165 N -0.08 0.12 0.00 3.45 0.11 -1.87 0.44 132.00 134.17 1og0 h PRO 165 Ca 0.28 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.37 1og0 h PRO 165 Cb 0.54 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.62 1og0 h PRO 165 CO -0.71 0.08 -0.08 1.96 -0.21 0.00 0.00 178.00 179.05 1og0 h GLN 166 N 0.13 0.00 -0.01 1.05 1.08 -1.64 0.52 115.11 116.23 1og0 h GLN 166 Ca 0.80 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 58.00 1og0 h GLN 166 Cb 2.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.67 1og0 h GLN 166 CO -0.56 0.08 -0.00 0.66 -0.95 0.00 0.00 178.83 178.05 1og0 n TYR 167 N -3.87 0.00 -0.81 2.96 4.02 0.16 -4.59 117.16 115.02 1og0 n TYR 167 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1og0 n TYR 167 Cb 0.17 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 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 0.07 0.00 -0.35 7.72 4.77 -0.52 -4.80 117.00 123.88 1og0 n LEU 168 Ca 0.19 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.30 1og0 n LEU 168 Cb 0.33 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.75 1og0 n LEU 168 CO 0.17 0.02 1.20 0.00 -1.33 0.00 0.00 177.39 177.45 1og0 h ALA 169 N 0.00 1.69 -0.04 -1.18 0.00 -0.26 -2.09 119.26 117.37 1og0 h ALA 169 Ca 0.00 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1og0 h ALA 169 Cb 0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1og0 h ALA 169 CO 0.00 -0.04 0.20 0.38 0.00 0.00 0.00 179.25 179.79 1og0 h ASP 170 N 0.78 0.00 -0.15 0.00 2.03 -1.91 -2.04 116.42 115.12 1og0 h ASP 170 Ca 0.56 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.86 1og0 h ASP 170 Cb 0.86 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.36 1og0 h ASP 170 CO -0.35 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 178.04 1og0 n LEU 171 N -3.14 2.46 -4.72 0.15 4.77 -0.79 -4.84 117.00 110.89 1og0 n LEU 171 Ca -0.01 -1.32 -0.35 0.00 -0.03 0.00 0.00 56.01 54.29 1og0 n LEU 171 Cb 0.27 -0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.18 1og0 n LEU 171 CO 0.19 0.52 -0.27 -0.69 -1.33 0.00 0.00 177.39 175.80 1og0 s VAL 172 N -1.09 4.65 -0.08 4.08 1.01 -0.77 -4.57 120.40 123.62 1og0 s VAL 172 Ca 0.20 -0.11 0.16 0.00 0.00 0.00 0.00 61.98 62.23 1og0 s VAL 172 Cb 0.12 -3.00 -0.24 0.00 0.00 0.00 0.00 36.38 33.27 1og0 s VAL 172 CO 0.18 0.59 0.24 -1.20 0.00 0.00 0.00 175.10 174.91 1og0 n SER 173 N 2.34 0.96 -3.87 3.32 7.64 -0.62 -4.87 113.62 118.53 1og0 n SER 173 Ca -0.19 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.55 1og0 n SER 173 Cb 0.54 1.41 -0.15 0.00 -1.01 0.00 0.00 64.21 65.00 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 -2.86 0.22 -0.05 1.43 5.36 -1.14 -4.09 117.98 116.85 1og0 s PHE 174 Ca -0.07 -0.01 0.06 0.00 -0.96 0.00 0.00 56.93 55.94 1og0 s PHE 174 Cb 0.08 -0.22 -0.02 0.00 -0.34 0.00 0.00 43.02 42.52 1og0 s PHE 174 CO 0.71 -0.05 -0.22 0.20 -1.46 0.00 0.00 175.22 174.40 1og0 s GLY 175 N 0.37 1.36 -0.19 13.12 0.00 -0.16 -1.81 107.32 120.02 1og0 s GLY 175 Ca -0.03 -1.04 0.01 0.00 0.00 0.00 0.00 44.72 43.65 1og0 s GLY 175 CO -0.01 -0.73 -0.12 0.00 0.00 0.00 0.00 173.10 172.24 1og0 s ALA 176 N -0.40 2.01 -0.19 3.20 0.00 -0.46 -0.10 121.76 125.81 1og0 s ALA 176 Ca 0.04 -1.15 -0.24 0.00 0.00 0.00 0.00 51.96 50.61 1og0 s ALA 176 Cb -0.12 -1.22 -0.01 0.00 0.00 0.00 0.00 23.12 21.76 1og0 s ALA 176 CO 0.02 -0.68 0.78 0.42 0.00 0.00 0.00 175.76 176.30 1og0 s ILE 177 N 1.40 4.90 1.02 0.00 -1.09 0.14 -2.51 121.20 125.07 1og0 s ILE 177 Ca 0.01 1.51 -0.12 0.00 -2.23 0.00 0.00 60.65 59.81 1og0 s ILE 177 Cb -0.15 -4.09 0.20 0.00 -1.58 0.00 0.00 42.46 36.84 1og0 s ILE 177 CO -0.09 0.02 1.08 -0.83 -1.23 0.00 0.00 174.94 173.89 1og0 s GLY 178 N 1.22 1.57 0.24 6.18 0.00 -1.26 -2.53 107.32 112.74 1og0 s GLY 178 Ca 0.35 -0.23 -0.06 0.00 0.00 0.00 0.00 44.72 44.78 1og0 s GLY 178 CO 0.11 0.38 1.90 0.00 0.00 0.00 0.00 173.10 175.49 1og0 h ALA 179 N -2.02 1.23 0.00 3.20 0.00 -1.82 -1.37 119.26 118.48 1og0 h ALA 179 Ca -0.55 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1og0 h ALA 179 Cb 1.32 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1og0 h ALA 179 CO 0.55 0.54 0.00 0.54 0.00 0.00 0.00 179.25 180.88 1og0 n ARG 180 N -4.46 0.12 0.00 0.00 1.74 -1.26 -3.59 116.66 109.20 1og0 n ARG 180 Ca 0.12 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 1og0 n ARG 180 Cb 0.06 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 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 -1.40 0.00 -0.10 0.55 -2.24 -0.75 -4.75 114.28 105.58 1og0 n THR 181 Ca 0.06 -0.41 0.26 0.00 -2.27 0.00 0.00 64.05 61.69 1og0 n THR 181 Cb 0.18 1.06 0.72 0.00 -2.10 0.00 0.00 70.33 70.19 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 0.06 0.56 0.00 4.28 2.02 -1.34 0.20 112.91 118.69 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 0.03 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1og0 h THR 182 CO 0.00 0.00 -0.51 -0.33 0.37 0.00 0.00 175.52 175.05 1og0 h GLU 183 N 0.00 0.00 -6.22 6.66 5.08 -1.85 -3.43 114.58 114.82 1og0 h GLU 183 Ca 0.36 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.16 1og0 h GLU 183 Cb 1.48 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.73 1og0 h GLU 183 CO -0.00 0.00 1.27 0.45 -1.00 0.00 0.00 179.01 179.73 1og0 s SER 184 N -4.56 6.13 0.27 1.42 0.15 0.69 -4.87 113.70 112.92 1og0 s SER 184 Ca 0.06 2.08 0.00 0.00 0.70 0.00 0.00 55.95 58.79 1og0 s SER 184 Cb 0.12 -2.52 0.54 0.00 -1.71 0.00 0.00 66.02 62.45 1og0 s SER 184 CO 0.70 -1.39 1.80 -0.61 1.20 0.00 0.00 173.24 174.94 1og0 h GLN 185 N 11.97 0.79 -0.70 5.44 5.75 -1.89 -0.98 115.11 135.48 1og0 h GLN 185 Ca -0.41 -0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.11 1og0 h GLN 185 Cb 1.21 -0.18 -0.06 0.00 1.07 0.00 0.00 27.48 29.52 1og0 h GLN 185 CO 0.97 0.52 0.39 1.25 -2.65 0.00 0.00 178.83 179.30 1og0 h LEU 186 N 0.81 0.56 -0.25 -2.39 5.85 -1.93 -0.77 115.31 117.19 1og0 h LEU 186 Ca 0.48 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.23 1og0 h LEU 186 Cb 0.57 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1og0 h LEU 186 CO -0.31 0.35 0.00 0.45 -0.34 0.00 0.00 178.44 178.60 1og0 h HIS 187 N 0.70 0.00 0.14 1.25 3.86 -1.49 -2.11 115.15 117.49 1og0 h HIS 187 Ca 0.32 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.23 1og0 h HIS 187 Cb 0.23 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.73 1og0 h HIS 187 CO -0.08 0.00 -1.27 0.00 0.86 0.00 0.00 177.93 177.44 1og0 h ARG 188 N 0.00 0.56 -0.53 2.45 3.08 -0.45 -2.33 114.38 117.16 1og0 h ARG 188 Ca 0.00 -0.78 -0.08 0.00 0.07 0.00 0.00 59.98 59.19 1og0 h ARG 188 Cb 0.86 0.27 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 1og0 h ARG 188 CO 0.00 1.35 0.03 0.93 -1.07 0.00 0.00 179.97 181.21 1og0 h GLU 189 N 0.23 0.91 -0.71 0.04 5.08 -1.13 -2.30 114.58 116.70 1og0 h GLU 189 Ca -0.19 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1og0 h GLU 189 Cb 1.94 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 31.07 1og0 h GLU 189 CO 0.24 0.92 0.47 1.25 -1.00 0.00 0.00 179.01 180.89 1og0 h LEU 190 N 0.79 0.81 -1.17 1.33 5.85 -1.39 -2.36 115.31 119.17 1og0 h LEU 190 Ca 0.15 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 1og0 h LEU 190 Cb 0.49 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1og0 h LEU 190 CO 0.02 0.59 -0.05 0.00 -0.34 0.00 0.00 178.44 178.66 1og0 h ALA 191 N 1.26 1.32 0.00 1.25 0.00 -1.21 -2.19 119.26 119.69 1og0 h ALA 191 Ca 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1og0 h ALA 191 Cb -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1og0 h ALA 191 CO -0.06 0.46 0.00 -1.13 0.00 0.00 0.00 179.25 178.53 1og0 n SER 192 N -4.25 0.00 -0.02 0.00 3.41 -0.88 -2.38 113.62 109.50 1og0 n SER 192 Ca 0.01 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1og0 n SER 192 Cb 0.28 -0.26 0.01 0.00 -0.26 0.00 0.00 64.21 63.98 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 -0.51 0.93 3.84 5.00 0.00 -0.83 -1.41 105.19 112.20 1og0 n GLY 193 Ca 0.05 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.71 4.18 -0.13 0.99 1.43 -1.00 -4.97 118.68 118.47 1og0 s LEU 194 Ca 0.01 1.32 0.01 0.00 -1.03 0.00 0.00 54.13 54.45 1og0 s LEU 194 Cb 0.01 -3.87 0.20 0.00 0.03 0.00 0.00 46.19 42.57 1og0 s LEU 194 CO 0.00 -0.11 1.24 -1.20 0.23 0.00 0.00 176.35 176.51 1og0 n SER 195 N 0.07 3.15 -3.82 2.29 7.64 -1.26 -4.89 113.62 116.81 1og0 n SER 195 Ca 0.01 -2.46 -0.07 0.00 1.01 0.00 0.00 58.87 57.36 1og0 n SER 195 Cb 0.52 -0.60 -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 -1.03 -0.17 0.38 1.43 -0.12 -1.26 -5.05 117.98 112.17 1og0 s PHE 196 Ca 0.17 -0.30 -0.27 0.00 -0.05 0.00 0.00 56.93 56.48 1og0 s PHE 196 Cb 0.14 0.71 -0.09 0.00 -0.63 0.00 0.00 43.02 43.14 1og0 s PHE 196 CO 0.03 -1.25 1.34 -2.14 -0.05 0.00 0.00 175.22 173.15 1og0 s PRO 197 N -3.85 4.07 -0.08 1.99 0.02 -1.26 -4.82 135.00 131.08 1og0 s PRO 197 Ca 0.11 2.25 0.04 0.00 0.02 0.00 0.00 61.00 63.42 1og0 s PRO 197 Cb -0.06 -2.86 0.00 0.00 0.02 0.00 0.00 34.50 31.60 1og0 s PRO 197 CO 0.07 -0.44 -0.21 0.08 -0.33 0.00 0.00 177.00 176.17 1og0 s VAL 198 N -1.20 1.80 -0.20 3.83 1.01 -0.62 -0.99 120.40 124.03 1og0 s VAL 198 Ca 0.54 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 1og0 s VAL 198 Cb -0.40 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1og0 s VAL 198 CO 0.52 0.50 0.06 -0.83 0.00 0.00 0.00 175.10 175.36 1og0 s GLY 199 N 0.33 1.85 -0.32 4.51 0.00 0.86 -1.70 107.32 112.85 1og0 s GLY 199 Ca -0.15 -0.88 -0.11 0.00 0.00 0.00 0.00 44.72 43.58 1og0 s GLY 199 CO 0.07 0.22 0.19 -1.36 0.00 0.00 0.00 173.10 172.22 1og0 s PHE 200 N 0.81 3.20 0.52 1.90 0.08 -0.16 -0.69 117.98 123.65 1og0 s PHE 200 Ca 0.03 -0.30 -0.19 0.00 0.12 0.00 0.00 56.93 56.59 1og0 s PHE 200 Cb -0.14 -2.41 -0.07 0.00 -0.57 0.00 0.00 43.02 39.84 1og0 s PHE 200 CO 0.02 -0.37 1.05 0.15 -0.10 0.00 0.00 175.22 175.98 1og0 s LYS 201 N 1.68 3.62 0.87 0.44 1.02 -1.05 -1.35 119.74 124.97 1og0 s LYS 201 Ca 0.06 1.33 -0.12 0.00 0.02 0.00 0.00 55.97 57.26 1og0 s LYS 201 Cb -0.17 -2.07 0.11 0.00 -0.52 0.00 0.00 37.83 35.19 1og0 s LYS 201 CO 0.09 -0.58 1.10 0.54 -0.92 0.00 0.00 175.35 175.57 1og0 s ASN 202 N -2.23 3.76 0.88 2.83 4.22 -0.89 -4.56 114.94 118.96 1og0 s ASN 202 Ca 0.66 1.36 -0.12 0.00 -2.14 0.00 0.00 52.86 52.62 1og0 s ASN 202 Cb -0.17 -2.05 0.07 0.00 1.28 0.00 0.00 41.25 40.39 1og0 s ASN 202 CO 0.26 -2.44 0.83 0.61 -2.04 0.00 0.00 177.10 174.32 1og0 n GLY 203 N -1.55 -1.00 0.07 0.45 0.00 -0.47 -4.59 105.19 98.10 1og0 n GLY 203 Ca 0.07 -0.64 0.09 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.58 1.00 0.59 2.61 -2.24 -1.26 -1.54 114.28 109.86 1og0 n THR 204 Ca 0.10 0.29 0.07 0.00 -2.27 0.00 0.00 64.05 62.24 1og0 n THR 204 Cb 0.52 -1.16 0.19 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 -1.88 2.38 0.00 3.42 3.85 -1.26 -1.60 116.55 121.46 1og0 n ASP 205 Ca 0.02 -2.02 0.00 0.00 -0.71 0.00 0.00 54.79 52.08 1og0 n ASP 205 Cb 0.17 -0.30 0.00 0.00 -1.35 0.00 0.00 41.12 39.64 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 1.15 1.32 3.91 6.12 0.00 -0.59 -2.58 105.19 114.52 1og0 n GLY 206 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.33 4.94 -0.26 2.61 -4.23 -1.26 -4.81 115.64 109.30 1og0 s THR 207 Ca 0.00 0.14 0.16 0.00 -1.18 0.00 0.00 61.69 60.81 1og0 s THR 207 Cb 0.00 -3.81 -0.22 0.00 1.34 0.00 0.00 72.50 69.81 1og0 s THR 207 CO 0.00 -0.62 0.45 0.18 -0.54 0.00 0.00 174.62 174.09 1og0 n LEU 208 N -1.71 0.25 -0.24 4.79 4.77 -1.26 -1.37 117.00 122.23 1og0 n LEU 208 Ca -0.00 -0.17 0.01 0.00 -0.03 0.00 0.00 56.01 55.82 1og0 n LEU 208 Cb 0.55 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.73 1og0 n LEU 208 CO 0.50 0.06 0.74 0.78 -1.33 0.00 0.00 177.39 178.14 1og0 h ASN 209 N 0.00 -0.61 -0.71 -1.43 4.21 -1.99 0.11 115.58 115.16 1og0 h ASN 209 Ca 0.00 0.21 -0.00 0.00 1.21 0.00 0.00 56.30 57.72 1og0 h ASN 209 Cb 0.60 0.42 -0.04 0.00 -1.12 0.00 0.00 38.32 38.18 1og0 h ASN 209 CO 0.00 -0.23 0.44 -0.37 -1.29 0.00 0.00 177.43 175.98 1og0 h VAL 210 N 0.02 1.20 -0.05 2.81 -1.51 -1.97 0.14 116.25 116.89 1og0 h VAL 210 Ca 0.35 -0.44 -0.17 0.00 -1.23 0.00 0.00 66.70 65.21 1og0 h VAL 210 Cb 0.55 0.18 -0.01 0.00 -2.13 0.00 0.00 31.29 29.88 1og0 h VAL 210 CO -0.72 0.21 -0.73 0.00 -1.23 0.00 0.00 177.57 175.10 1og0 h ALA 211 N 1.49 0.67 -0.36 5.19 0.00 -1.32 -1.31 119.26 123.63 1og0 h ALA 211 Ca 0.26 -0.62 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1og0 h ALA 211 Cb -0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1og0 h ALA 211 CO -0.05 0.80 -0.20 0.28 0.00 0.00 0.00 179.25 180.08 1og0 h VAL 212 N 0.18 1.29 -0.50 0.00 2.07 -0.50 -2.21 116.25 116.58 1og0 h VAL 212 Ca -0.03 -1.34 -0.07 0.00 0.82 0.00 0.00 66.70 66.09 1og0 h VAL 212 Cb 1.29 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 1og0 h VAL 212 CO 0.12 0.44 0.04 0.44 0.02 0.00 0.00 177.57 178.62 1og0 h ASP 213 N 0.55 0.76 -0.35 0.57 3.32 -0.92 -2.08 116.42 118.27 1og0 h ASP 213 Ca 0.08 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 56.97 1og0 h ASP 213 Cb 0.75 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1og0 h ASP 213 CO 0.06 0.80 0.20 0.00 -1.72 0.00 0.00 179.24 178.58 1og0 h ALA 214 N 1.29 0.44 -0.74 3.45 0.00 -1.01 0.01 119.26 122.69 1og0 h ALA 214 Ca 0.15 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1og0 h ALA 214 Cb 0.40 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1og0 h ALA 214 CO 0.01 -0.15 0.40 0.00 0.00 0.00 0.00 179.25 179.51 1og0 h GLN 216 N 1.03 0.33 -0.25 0.00 1.08 -0.94 -2.73 115.11 113.63 1og0 h GLN 216 Ca 0.26 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.39 1og0 h GLN 216 Cb 0.05 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 1og0 h GLN 216 CO -0.04 0.33 0.07 0.00 -0.95 0.00 0.00 178.83 178.24 1og0 h ALA 217 N 0.99 0.33 0.00 3.87 0.00 -0.63 -2.67 119.26 121.14 1og0 h ALA 217 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1og0 h ALA 217 Cb 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1og0 h ALA 217 CO -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.20 1og0 n ALA 218 N -2.28 1.16 0.22 0.00 0.00 0.49 -1.36 120.51 118.74 1og0 n ALA 218 Ca -0.03 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1og0 n ALA 218 Cb 0.16 -1.24 0.15 0.00 0.00 0.00 0.00 19.45 18.52 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 2.07 0.93 -2.01 0.00 0.00 -1.15 0.38 119.26 119.47 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 0.07 0.00 0.08 0.00 0.00 0.00 0.00 17.79 17.93 1og0 h ALA 219 CO 0.00 0.00 0.15 -1.01 0.00 0.00 0.00 179.25 178.39 1og0 s HIS 220 N -3.23 2.63 0.02 0.00 3.76 -0.46 -3.87 115.29 114.14 1og0 s HIS 220 Ca 0.06 0.20 -0.22 0.00 -0.15 0.00 0.00 55.06 54.95 1og0 s HIS 220 Cb 0.06 -3.10 -0.06 0.00 1.11 0.00 0.00 32.58 30.60 1og0 s HIS 220 CO 0.69 -1.38 0.64 0.45 -0.85 0.00 0.00 174.74 174.29 1og0 s SER 221 N -4.55 7.06 0.16 1.40 0.15 -1.26 -3.69 113.70 112.97 1og0 s SER 221 Ca 0.61 1.26 0.06 0.00 0.70 0.00 0.00 55.95 58.58 1og0 s SER 221 Cb -0.09 -2.39 -0.04 0.00 -1.71 0.00 0.00 66.02 61.78 1og0 s SER 221 CO 0.43 0.11 -0.14 -1.00 1.20 0.00 0.00 173.24 173.85 1og0 s HIS 222 N -0.33 1.52 -0.33 3.44 3.76 -1.25 -4.93 115.29 117.16 1og0 s HIS 222 Ca 0.33 -0.59 0.03 0.00 -0.15 0.00 0.00 55.06 54.68 1og0 s HIS 222 Cb -0.19 -0.76 0.10 0.00 1.11 0.00 0.00 32.58 32.84 1og0 s HIS 222 CO 0.19 0.22 0.05 -1.01 -0.85 0.00 0.00 174.74 173.34 1og0 s HIS 223 N -2.60 3.52 0.29 1.40 3.76 -1.26 -0.75 115.29 119.65 1og0 s HIS 223 Ca 0.15 -2.84 0.02 0.00 -0.15 0.00 0.00 55.06 52.24 1og0 s HIS 223 Cb -0.02 -2.76 -0.01 0.00 1.11 0.00 0.00 32.58 30.90 1og0 s HIS 223 CO 0.04 -0.94 0.06 1.97 -0.85 0.00 0.00 174.74 175.02 1og0 n PHE 224 N 4.32 0.36 -4.23 1.40 1.16 -0.76 -4.93 117.46 114.78 1og0 n PHE 224 Ca 0.03 -1.68 -0.34 0.00 -1.87 0.00 0.00 57.45 53.58 1og0 n PHE 224 Cb 0.42 -0.09 -0.14 0.00 -1.61 0.00 0.00 39.48 38.07 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 -3.09 3.44 0.00 3.97 -1.94 -1.26 0.74 119.30 121.16 1og0 s MET 225 Ca 0.08 -0.62 0.00 0.00 -1.71 0.00 0.00 55.69 53.44 1og0 s MET 225 Cb 0.00 -2.89 0.00 0.00 2.01 0.00 0.00 34.83 33.95 1og0 s MET 225 CO 0.06 -0.00 0.00 -1.13 -0.01 0.00 0.00 175.02 173.94 1og0 n SER 226 N 4.21 0.00 -4.57 3.03 3.41 -0.96 -4.96 113.62 113.78 1og0 n SER 226 Ca -0.18 -0.96 -0.30 0.00 -0.26 0.00 0.00 58.87 57.17 1og0 n SER 226 Cb 0.52 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 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 -2.00 3.34 1.00 -3.33 -7.23 -1.26 -1.09 120.40 109.83 1og0 s VAL 227 Ca 0.00 -1.31 -0.17 0.00 -1.81 0.00 0.00 61.98 58.69 1og0 s VAL 227 Cb 0.00 -2.57 0.23 0.00 0.56 0.00 0.00 36.38 34.60 1og0 s VAL 227 CO 0.00 0.09 1.35 0.42 -0.31 0.00 0.00 175.10 176.65 1og0 s THR 228 N -1.24 1.98 0.57 5.32 -4.23 0.11 -4.88 115.64 113.27 1og0 s THR 228 Ca 0.21 0.00 0.37 0.00 -1.18 0.00 0.00 61.69 61.09 1og0 s THR 228 Cb -0.11 -2.98 0.39 0.00 1.34 0.00 0.00 72.50 71.14 1og0 s THR 228 CO 0.14 0.00 2.27 0.11 -0.54 0.00 0.00 174.62 176.60 1og0 h LYS 229 N -1.80 0.00 -0.56 3.99 1.79 -1.95 -1.67 116.57 116.37 1og0 h LYS 229 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1og0 h LYS 229 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1og0 h LYS 229 CO 0.32 0.02 0.00 0.72 -1.08 0.00 0.00 179.45 179.43 1og0 n HIS 230 N -3.41 0.86 -1.06 -1.35 8.25 -1.26 0.19 115.22 117.44 1og0 n HIS 230 Ca -0.03 -0.38 -0.02 0.00 -0.26 0.00 0.00 57.72 57.03 1og0 n HIS 230 Cb 0.11 -0.09 -0.01 0.00 1.12 0.00 0.00 29.99 31.13 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 1.12 0.55 3.71 -1.41 0.00 -0.63 -4.88 105.19 103.66 1og0 n GLY 231 Ca 0.18 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.02 4.28 0.21 1.61 1.01 -1.26 -4.83 120.40 119.39 1og0 s VAL 232 Ca 0.00 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 1og0 s VAL 232 Cb 0.00 -2.97 -0.08 0.00 0.00 0.00 0.00 36.38 33.33 1og0 s VAL 232 CO 0.00 0.28 1.13 0.00 0.00 0.00 0.00 175.10 176.51 1og0 s ALA 233 N -1.20 3.40 0.16 5.51 0.00 -1.26 0.07 121.76 128.44 1og0 s ALA 233 Ca 0.23 0.88 -0.13 0.00 0.00 0.00 0.00 51.96 52.94 1og0 s ALA 233 Cb -0.12 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.65 1og0 s ALA 233 CO 0.14 -0.25 0.37 0.00 0.00 0.00 0.00 175.76 176.02 1og0 s ALA 234 N -0.42 -0.52 -0.48 0.00 0.00 -0.25 -4.89 121.76 115.21 1og0 s ALA 234 Ca 0.49 -0.47 -0.25 0.00 0.00 0.00 0.00 51.96 51.73 1og0 s ALA 234 Cb -0.31 0.78 0.03 0.00 0.00 0.00 0.00 23.12 23.62 1og0 s ALA 234 CO 0.37 -0.68 0.91 0.42 0.00 0.00 0.00 175.76 176.78 1og0 s ILE 235 N -3.89 4.48 0.24 0.00 1.01 -1.26 -2.25 121.20 119.53 1og0 s ILE 235 Ca 0.10 0.59 -0.15 0.00 0.00 0.00 0.00 60.65 61.19 1og0 s ILE 235 Cb 0.02 -4.44 -0.08 0.00 0.01 0.00 0.00 42.46 37.97 1og0 s ILE 235 CO -0.05 -0.88 0.66 -0.89 0.00 0.00 0.00 174.94 173.78 1og0 s THR 236 N 3.73 4.73 -0.14 2.92 2.01 0.23 -4.94 115.64 124.17 1og0 s THR 236 Ca 0.34 0.93 -0.01 0.00 0.31 0.00 0.00 61.69 63.26 1og0 s THR 236 Cb -0.11 -3.70 0.04 0.00 0.01 0.00 0.00 72.50 68.73 1og0 s THR 236 CO 0.24 0.03 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.26 1og0 s THR 237 N -1.72 0.98 0.37 -0.82 2.01 -1.26 -1.83 115.64 113.37 1og0 s THR 237 Ca 0.47 -0.46 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 1og0 s THR 237 Cb -0.13 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 1og0 s THR 237 CO 0.19 0.18 0.60 0.42 -0.69 0.00 0.00 174.62 175.33 1og0 s THR 238 N 1.70 5.05 -0.09 -0.82 -4.23 0.07 -4.96 115.64 112.37 1og0 s THR 238 Ca 0.02 -0.27 0.15 0.00 -1.18 0.00 0.00 61.69 60.42 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 -0.61 0.79 0.50 -0.54 0.00 0.00 174.62 174.68 1og0 h LYS 239 N 0.70 0.00 0.00 3.99 3.64 -1.87 -3.33 116.57 119.70 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 0.38 0.00 0.41 -2.27 0.00 0.00 179.45 178.58 1og0 n GLY 240 N 1.45 2.72 3.20 5.01 0.00 -0.50 -4.38 105.19 112.69 1og0 n GLY 240 Ca -0.12 -1.59 -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 3.95 0.00 1.61 3.84 0.13 -4.86 114.94 119.62 1og0 s ASN 241 Ca 0.00 -0.69 0.21 0.00 0.21 0.00 0.00 52.86 52.59 1og0 s ASN 241 Cb 0.00 -1.62 0.56 0.00 -0.55 0.00 0.00 41.25 39.63 1og0 s ASN 241 CO 0.00 -0.06 1.46 -1.84 -2.79 0.00 0.00 177.10 173.86 1og0 n GLU 242 N 4.68 2.14 -1.96 0.43 0.00 -1.26 -3.56 120.64 121.11 1og0 n GLU 242 Ca -0.18 -1.72 -0.33 0.00 0.00 0.00 0.00 57.16 54.93 1og0 n GLU 242 Cb 0.49 -1.45 0.03 0.00 0.00 0.00 0.00 31.44 30.52 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 0.93 3.11 -4.30 -1.84 8.25 -1.26 -4.94 115.22 115.18 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 0.47 -0.80 -0.12 0.00 1.12 0.00 0.00 29.99 30.66 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 0.45 1.92 -0.05 0.00 -0.71 -0.69 -4.57 117.98 114.33 1og0 s PHE 245 Ca -0.02 -1.04 -0.07 0.00 -1.04 0.00 0.00 56.93 54.76 1og0 s PHE 245 Cb -0.14 -1.28 -0.04 0.00 -1.21 0.00 0.00 43.02 40.35 1og0 s PHE 245 CO 0.02 -0.05 0.21 0.08 -1.34 0.00 0.00 175.22 174.15 1og0 s VAL 246 N -3.24 5.38 -0.13 -2.49 1.01 -1.26 -0.99 120.40 118.69 1og0 s VAL 246 Ca 0.31 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.52 1og0 s VAL 246 Cb 0.07 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.94 1og0 s VAL 246 CO 0.15 0.50 -0.18 -0.63 0.00 0.00 0.00 175.10 174.93 1og0 s ILE 247 N -1.16 2.52 -0.25 2.22 1.01 -0.45 -1.24 121.20 123.85 1og0 s ILE 247 Ca 0.22 -0.84 -0.16 0.00 0.00 0.00 0.00 60.65 59.87 1og0 s ILE 247 Cb -0.13 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 1og0 s ILE 247 CO 0.11 0.53 0.42 -0.76 0.00 0.00 0.00 174.94 175.24 1og0 s LEU 248 N 0.57 4.07 -0.03 2.97 1.43 0.96 -2.09 118.68 126.56 1og0 s LEU 248 Ca -0.11 0.41 0.07 0.00 -1.03 0.00 0.00 54.13 53.48 1og0 s LEU 248 Cb -0.16 -2.51 0.13 0.00 0.03 0.00 0.00 46.19 43.67 1og0 s LEU 248 CO 0.04 -0.18 1.06 -2.11 0.23 0.00 0.00 176.35 175.38 1og0 n ARG 249 N 5.15 0.24 0.00 1.70 -4.01 -1.26 -0.01 116.66 118.47 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 -0.61 0.00 0.00 -3.04 0.00 0.00 32.46 29.32 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 -0.17 -1.78 0.00 2.89 0.00 -1.26 -2.16 105.19 102.71 1og0 n GLY 250 Ca 0.04 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.50 0.17 -0.02 0.00 -1.14 -4.14 105.19 99.56 1og0 n GLY 251 Ca 0.00 -1.25 -0.03 0.00 0.00 0.00 0.00 46.02 44.74 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 0.28 0.19 -0.03 1.61 1.57 -1.38 -1.98 116.57 116.83 1og0 h LYS 252 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1og0 h LYS 252 Cb 0.00 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1og0 h LYS 252 CO 0.00 0.69 0.00 1.63 -0.57 0.00 0.00 179.45 181.20 1og0 n LYS 253 N -3.90 0.51 0.00 3.15 5.02 -1.06 -4.93 118.16 116.94 1og0 n LYS 253 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1og0 n LYS 253 Cb 0.58 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.57 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 0.03 -0.03 3.74 0.72 0.00 -0.74 -4.98 105.19 103.93 1og0 n GLY 254 Ca 0.00 -1.85 -0.37 0.00 0.00 0.00 0.00 46.02 43.79 1og0 n GLY 254 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1og0 s THR 255 N -1.56 2.17 -0.24 2.61 -4.23 -1.26 -2.90 115.64 110.24 1og0 s THR 255 Ca 0.00 0.12 0.19 0.00 -1.18 0.00 0.00 61.69 60.82 1og0 s THR 255 Cb 0.00 -3.05 0.49 0.00 1.34 0.00 0.00 72.50 71.28 1og0 s THR 255 CO 0.00 -0.02 1.14 -0.46 -0.54 0.00 0.00 174.62 174.74 1og0 n ASN 256 N -1.53 2.28 0.02 3.99 6.94 -1.26 -4.84 115.26 120.86 1og0 n ASN 256 Ca 0.14 -2.46 0.05 0.00 -0.02 0.00 0.00 54.58 52.29 1og0 n ASN 256 Cb 0.47 -0.44 -0.09 0.00 -2.36 0.00 0.00 39.78 37.36 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 -0.55 0.57 -0.85 -2.53 0.18 -1.26 -4.43 117.16 108.29 1og0 n TYR 257 Ca 0.16 0.18 -0.30 0.00 1.88 0.00 0.00 57.90 59.82 1og0 n TYR 257 Cb 0.86 -0.87 0.18 0.00 -0.38 0.00 0.00 39.34 39.14 1og0 n TYR 257 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 1og0 s ASP 258 N -5.25 2.55 0.27 9.48 1.47 -1.26 -4.72 116.67 119.22 1og0 s ASP 258 Ca -0.05 1.71 -0.00 0.00 1.18 0.00 0.00 52.55 55.39 1og0 s ASP 258 Cb 0.10 -2.34 0.49 0.00 -0.34 0.00 0.00 42.92 40.83 1og0 s ASP 258 CO 0.84 -3.25 1.85 0.00 0.68 0.00 0.00 175.17 175.29 1og0 h ALA 259 N -1.97 1.46 -0.18 2.11 0.00 -1.94 -0.88 119.26 117.86 1og0 h ALA 259 Ca -0.51 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1og0 h ALA 259 Cb 1.29 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1og0 h ALA 259 CO 0.49 0.32 0.07 -0.22 0.00 0.00 0.00 179.25 179.91 1og0 h LYS 260 N 1.07 0.27 -0.93 0.00 3.64 -1.98 -2.13 116.57 116.52 1og0 h LYS 260 Ca 0.47 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.79 1og0 h LYS 260 Cb 0.35 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1og0 h LYS 260 CO -0.23 0.36 0.56 0.77 -2.27 0.00 0.00 179.45 178.64 1og0 h SER 261 N 0.13 1.11 0.39 4.20 0.02 -1.73 -2.25 113.55 115.42 1og0 h SER 261 Ca 0.06 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1og0 h SER 261 Cb 0.19 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1og0 h SER 261 CO -0.00 0.85 -0.28 0.58 -1.14 0.00 0.00 176.83 176.84 1og0 h VAL 262 N 1.28 1.04 -0.08 2.27 2.07 -0.98 -1.30 116.25 120.55 1og0 h VAL 262 Ca 0.33 -1.01 -0.10 0.00 0.82 0.00 0.00 66.70 66.73 1og0 h VAL 262 Cb -0.06 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1og0 h VAL 262 CO -0.06 0.27 -0.35 0.00 0.02 0.00 0.00 177.57 177.45 1og0 h ALA 263 N 1.72 0.15 -0.58 1.67 0.00 -0.82 0.15 119.26 121.56 1og0 h ALA 263 Ca -0.00 -0.45 0.06 0.00 0.00 0.00 0.00 54.91 54.52 1og0 h ALA 263 Cb 0.55 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1og0 h ALA 263 CO 0.04 0.23 0.28 0.93 0.00 0.00 0.00 179.25 180.73 1og0 h GLU 264 N -0.09 0.51 0.58 0.00 5.08 -1.30 0.27 114.58 119.64 1og0 h GLU 264 Ca -0.02 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1og0 h GLU 264 Cb 0.99 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.13 1og0 h GLU 264 CO 0.07 0.34 -0.28 0.00 -1.00 0.00 0.00 179.01 178.14 1og0 h ALA 265 N 1.33 -0.79 -1.07 3.43 0.00 -1.16 -2.11 119.26 118.90 1og0 h ALA 265 Ca 0.26 -0.18 0.28 0.00 0.00 0.00 0.00 54.91 55.28 1og0 h ALA 265 Cb 0.21 0.30 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 1og0 h ALA 265 CO -0.20 -0.92 0.69 0.87 0.00 0.00 0.00 179.25 179.69 1og0 h LYS 266 N -0.83 0.35 -0.16 0.00 1.79 -0.09 -1.26 116.57 116.35 1og0 h LYS 266 Ca -0.08 -0.02 -0.19 0.00 -2.18 0.00 0.00 60.65 58.18 1og0 h LYS 266 Cb 0.62 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1og0 h LYS 266 CO 0.13 0.23 -0.66 0.00 -1.08 0.00 0.00 179.45 178.07 1og0 h ALA 267 N 1.62 0.54 0.00 3.86 0.00 -0.08 -3.24 119.26 121.95 1og0 h ALA 267 Ca 0.62 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1og0 h ALA 267 Cb 1.62 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1og0 h ALA 267 CO -0.31 0.71 -0.22 1.96 0.00 0.00 0.00 179.25 181.39 1og0 h GLN 268 N 0.45 0.00 -6.71 0.00 4.20 -0.58 -3.45 115.11 109.02 1og0 h GLN 268 Ca -0.02 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.17 1og0 h GLN 268 Cb 1.25 0.00 0.05 0.00 0.30 0.00 0.00 27.48 29.07 1og0 h GLN 268 CO 0.13 0.22 0.72 -0.51 -0.67 0.00 0.00 178.83 178.72 1og0 s LEU 269 N -6.45 4.40 1.01 1.46 1.43 -0.99 -5.02 118.68 114.52 1og0 s LEU 269 Ca 0.04 2.55 -0.13 0.00 -1.03 0.00 0.00 54.13 55.55 1og0 s LEU 269 Cb 0.08 -3.62 0.19 0.00 0.03 0.00 0.00 46.19 42.87 1og0 s LEU 269 CO 0.67 -0.63 1.11 -2.84 0.23 0.00 0.00 176.35 174.89 1og0 s PRO 270 N -0.22 0.35 0.08 1.29 0.02 -1.26 -4.94 135.00 130.32 1og0 s PRO 270 Ca 0.58 0.38 -0.31 0.00 0.02 0.00 0.00 61.00 61.68 1og0 s PRO 270 Cb -0.40 -1.74 -0.07 0.00 0.02 0.00 0.00 34.50 32.31 1og0 s PRO 270 CO 0.41 -2.75 1.46 0.00 -0.33 0.00 0.00 177.00 175.78 1og0 s ALA 271 N -3.05 3.62 0.00 -1.55 0.00 -1.26 -2.39 121.76 117.13 1og0 s ALA 271 Ca 0.66 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.71 1og0 s ALA 271 Cb -0.17 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1og0 s ALA 271 CO 0.57 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1og0 n GLY 272 N 3.65 0.76 3.74 0.00 0.00 -1.26 -5.05 105.19 107.02 1og0 n GLY 272 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1og0 n GLY 272 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1og0 s SER 273 N -2.45 4.71 0.92 1.61 0.01 -1.01 -5.03 113.70 112.46 1og0 s SER 273 Ca 0.00 2.27 -0.08 0.00 1.31 0.00 0.00 55.95 59.45 1og0 s SER 273 Cb 0.00 -2.58 0.13 0.00 0.21 0.00 0.00 66.02 63.78 1og0 s SER 273 CO 0.00 -1.91 0.81 0.59 0.41 0.00 0.00 173.24 173.14 1og0 n ASN 274 N -2.32 0.24 -4.13 2.44 3.02 -1.26 -5.02 115.26 108.23 1og0 n ASN 274 Ca 0.13 -1.40 -0.29 0.00 -0.03 0.00 0.00 54.58 52.98 1og0 n ASN 274 Cb 0.50 -0.60 0.24 0.00 -0.61 0.00 0.00 39.78 39.31 1og0 n ASN 274 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1og0 s GLY 275 N -4.71 1.53 0.06 7.41 0.00 0.01 -4.87 107.32 106.75 1og0 s GLY 275 Ca 0.47 -0.59 0.02 0.00 0.00 0.00 0.00 44.72 44.62 1og0 s GLY 275 CO 0.33 0.21 0.09 1.08 0.00 0.00 0.00 173.10 174.81 1og0 s LEU 276 N -7.07 3.86 0.09 0.66 1.43 0.15 -4.01 118.68 113.78 1og0 s LEU 276 Ca 0.68 0.04 0.10 0.00 -1.03 0.00 0.00 54.13 53.93 1og0 s LEU 276 Cb -0.16 -2.47 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 1og0 s LEU 276 CO 0.59 0.19 -0.26 -0.32 0.23 0.00 0.00 176.35 176.78 1og0 s MET 277 N -2.25 1.57 -0.13 1.70 -2.45 -0.37 -1.60 119.30 115.76 1og0 s MET 277 Ca 0.28 -1.23 0.01 0.00 -1.25 0.00 0.00 55.69 53.50 1og0 s MET 277 Cb -0.12 -1.91 0.02 0.00 1.25 0.00 0.00 34.83 34.07 1og0 s MET 277 CO 0.21 0.47 -0.13 0.42 1.05 0.00 0.00 175.02 177.04 1og0 s ILE 278 N -0.94 1.41 -0.29 10.11 1.01 0.11 -0.03 121.20 132.57 1og0 s ILE 278 Ca 0.13 -0.55 -0.21 0.00 0.00 0.00 0.00 60.65 60.02 1og0 s ILE 278 Cb -0.10 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 1og0 s ILE 278 CO 0.04 0.43 0.68 -0.62 0.00 0.00 0.00 174.94 175.47 1og0 s ASP 279 N 1.39 6.57 0.50 3.58 2.15 0.99 -0.95 116.67 130.90 1og0 s ASP 279 Ca 0.02 0.56 0.30 0.00 0.43 0.00 0.00 52.55 53.86 1og0 s ASP 279 Cb -0.13 -2.36 1.06 0.00 -0.30 0.00 0.00 42.92 41.19 1og0 s ASP 279 CO -0.08 -0.50 1.87 1.88 -0.17 0.00 0.00 175.17 178.17 1og0 h TYR 280 N 8.10 0.00 -3.42 -5.34 -1.99 -1.36 -3.41 116.97 109.55 1og0 h TYR 280 Ca -0.26 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.47 1og0 h TYR 280 Cb 1.11 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.84 1og0 h TYR 280 CO 0.76 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.79 1og0 n SER 281 N -3.05 0.55 0.00 3.88 3.41 -1.26 -3.35 113.62 113.80 1og0 n SER 281 Ca 0.02 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.21 1og0 n SER 281 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1og0 n SER 281 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1og0 n HIS 282 N -0.30 0.00 -0.37 7.33 8.25 -1.26 -2.63 115.22 126.24 1og0 n HIS 282 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1og0 n HIS 282 Cb 0.00 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.22 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 1.40 2.00 -1.41 0.00 -1.78 -3.08 103.07 100.20 1og0 h GLY 283 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1og0 h GLY 283 CO 0.00 0.53 0.00 3.43 0.00 0.00 0.00 176.54 180.50 1og0 h ASN 284 N 1.35 0.00 0.06 0.19 2.35 -1.40 -3.00 115.58 115.12 1og0 h ASN 284 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1og0 h ASN 284 Cb -0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.24 1og0 h ASN 284 CO -0.07 0.00 -0.08 -1.54 -1.65 0.00 0.00 177.43 174.08 1og0 n SER 285 N -3.00 1.46 -3.64 5.81 3.41 -1.17 -4.92 113.62 111.59 1og0 n SER 285 Ca 0.03 -1.36 -0.24 0.00 -0.26 0.00 0.00 58.87 57.04 1og0 n SER 285 Cb 0.44 0.05 0.02 0.00 -0.26 0.00 0.00 64.21 64.45 1og0 n SER 285 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1og0 n ASN 286 N 0.01 -5.54 -1.58 4.04 2.85 -1.13 -1.98 115.26 111.92 1og0 n ASN 286 Ca 0.17 -0.84 -0.19 0.00 -0.11 0.00 0.00 54.58 53.61 1og0 n ASN 286 Cb 0.37 -2.96 -0.08 0.00 1.24 0.00 0.00 39.78 38.35 1og0 n ASN 286 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1og0 n LYS 287 N -3.20 -1.43 -3.70 1.20 0.00 -1.26 -4.95 118.16 104.82 1og0 n LYS 287 Ca -0.16 1.10 -0.12 0.00 -0.00 0.00 0.00 58.31 59.13 1og0 n LYS 287 Cb 0.61 -5.46 -0.12 0.00 -0.00 0.00 0.00 35.03 30.05 1og0 n LYS 287 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1og0 s ASP 288 N -2.57 -0.17 0.48 -5.58 -1.08 -0.84 -5.03 116.67 101.89 1og0 s ASP 288 Ca 0.00 0.64 0.28 0.00 -0.52 0.00 0.00 52.55 52.94 1og0 s ASP 288 Cb 0.00 0.60 0.78 0.00 -1.46 0.00 0.00 42.92 42.84 1og0 s ASP 288 CO 0.00 -0.19 1.77 2.19 0.52 0.00 0.00 175.17 179.46 1og0 h PHE 289 N 7.50 0.00 0.00 -5.34 -0.00 -1.88 -3.03 116.94 114.19 1og0 h PHE 289 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.65 1og0 h PHE 289 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.10 1og0 h PHE 289 CO 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 178.31 178.65 1og0 h ARG 290 N 0.00 0.00 -0.67 6.09 3.08 -1.93 -2.59 114.38 118.36 1og0 h ARG 290 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1og0 h ARG 290 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1og0 h ARG 290 CO 0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 1og0 n ASN 291 N -2.80 2.84 0.07 7.04 3.02 -1.14 -4.05 115.26 120.23 1og0 n ASN 291 Ca -0.00 -2.31 -0.22 0.00 -0.03 0.00 0.00 54.58 52.02 1og0 n ASN 291 Cb 0.19 -0.48 -0.15 0.00 -0.61 0.00 0.00 39.78 38.73 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 1.94 0.38 0.00 3.52 4.20 -1.68 -2.72 115.11 120.74 1og0 h GLN 292 Ca 0.00 -0.65 -0.08 0.00 0.06 0.00 0.00 58.65 57.98 1og0 h GLN 292 Cb 0.98 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 1og0 h GLN 292 CO 0.16 1.29 -0.37 -1.35 -0.67 0.00 0.00 178.83 177.90 1og0 h PRO 293 N 0.10 0.00 -0.27 1.46 0.11 -1.81 0.25 132.00 131.84 1og0 h PRO 293 Ca -0.33 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.66 1og0 h PRO 293 Cb 2.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 33.19 1og0 h PRO 293 CO 0.18 0.37 -0.33 0.87 -0.21 0.00 0.00 178.00 178.88 1og0 h LYS 294 N 0.00 0.57 -0.09 1.05 1.57 -1.77 -0.43 116.57 117.47 1og0 h LYS 294 Ca -0.00 -0.26 -0.17 0.00 -1.87 0.00 0.00 60.65 58.35 1og0 h LYS 294 Cb 0.66 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1og0 h LYS 294 CO 0.05 0.83 -0.65 0.28 -0.57 0.00 0.00 179.45 179.38 1og0 h VAL 295 N 0.49 1.37 -0.22 0.50 2.07 -1.07 -2.67 116.25 116.72 1og0 h VAL 295 Ca 0.06 -2.03 -0.01 0.00 0.82 0.00 0.00 66.70 65.53 1og0 h VAL 295 Cb 0.81 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1og0 h VAL 295 CO 0.07 0.61 0.09 -1.13 0.02 0.00 0.00 177.57 177.23 1og0 h ASN 296 N 0.26 0.30 0.32 0.57 -1.24 -0.53 -0.78 115.58 114.48 1og0 h ASN 296 Ca -0.01 -0.16 -0.00 0.00 0.71 0.00 0.00 56.30 56.84 1og0 h ASN 296 Cb 1.20 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 40.13 1og0 h ASN 296 CO 0.11 0.38 -0.52 0.44 -1.29 0.00 0.00 177.43 176.55 1og0 h ASP 297 N 0.21 -1.49 -0.77 1.15 3.32 -1.01 0.73 116.42 118.57 1og0 h ASP 297 Ca 0.07 0.14 0.18 0.00 0.02 0.00 0.00 57.03 57.44 1og0 h ASP 297 Cb 0.16 0.52 -0.05 0.00 0.22 0.00 0.00 39.33 40.19 1og0 h ASP 297 CO -0.01 -0.62 0.52 0.58 -1.72 0.00 0.00 179.24 178.00 1og0 h VAL 298 N -0.89 0.72 0.19 -1.35 2.07 -1.36 -1.38 116.25 114.26 1og0 h VAL 298 Ca -0.03 -0.09 -0.26 0.00 0.82 0.00 0.00 66.70 67.13 1og0 h VAL 298 Cb 0.82 0.43 0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1og0 h VAL 298 CO -0.17 0.05 -1.17 0.58 0.02 0.00 0.00 177.57 176.88 1og0 h VAL 299 N 0.27 1.37 -0.81 2.57 2.07 -0.28 -3.26 116.25 118.18 1og0 h VAL 299 Ca 0.38 -2.60 0.02 0.00 0.82 0.00 0.00 66.70 65.32 1og0 h VAL 299 Cb 1.09 3.10 -0.04 0.00 -1.52 0.00 0.00 31.29 33.92 1og0 h VAL 299 CO -0.09 0.76 0.54 0.00 0.02 0.00 0.00 177.57 178.79 1og0 h GLU 301 N 1.04 0.86 -0.05 0.00 4.22 -1.36 0.22 114.58 119.51 1og0 h GLU 301 Ca 0.31 -0.05 -0.09 0.00 0.08 0.00 0.00 59.36 59.61 1og0 h GLU 301 Cb -0.03 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 1og0 h GLU 301 CO -0.08 0.57 -0.39 1.96 -2.18 0.00 0.00 179.01 178.89 1og0 h GLN 302 N 0.89 0.10 -0.02 1.92 4.20 -1.39 -0.43 115.11 120.39 1og0 h GLN 302 Ca 0.29 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.94 1og0 h GLN 302 Cb 0.01 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1og0 h GLN 302 CO -0.11 0.48 -0.05 0.82 -0.67 0.00 0.00 178.83 179.31 1og0 h ILE 303 N 0.09 1.47 -0.13 2.54 2.04 -0.40 -0.05 117.51 123.08 1og0 h ILE 303 Ca 0.01 -1.46 0.03 0.00 1.00 0.00 0.00 64.86 64.45 1og0 h ILE 303 Cb 0.73 2.41 -0.04 0.00 -0.74 0.00 0.00 36.82 39.18 1og0 h ILE 303 CO 0.05 0.39 -0.09 0.00 0.00 0.00 0.00 178.15 178.50 1og0 h ALA 304 N 0.41 0.02 0.00 1.87 0.00 -0.52 -0.67 119.26 120.37 1og0 h ALA 304 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1og0 h ALA 304 Cb 0.66 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1og0 h ALA 304 CO 0.01 -0.53 0.00 0.09 0.00 0.00 0.00 179.25 178.82 1og0 n ASN 305 N -5.23 0.06 0.00 0.00 3.02 -0.18 -4.13 115.26 108.80 1og0 n ASN 305 Ca -0.03 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.23 1og0 n ASN 305 Cb 0.15 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 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 -0.04 0.72 3.62 7.41 0.00 -0.27 -5.04 105.19 111.60 1og0 n GLY 306 Ca 0.00 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.71 3.72 0.07 1.61 2.56 -0.03 -4.90 118.70 121.02 1og0 s GLU 307 Ca 0.00 1.35 0.22 0.00 0.00 0.00 0.00 54.97 56.55 1og0 s GLU 307 Cb 0.00 -4.01 -0.07 0.00 2.00 0.00 0.00 34.13 32.05 1og0 s GLU 307 CO 0.00 -1.38 0.89 0.09 -0.56 0.00 0.00 175.26 174.30 1og0 n ASN 308 N 8.53 0.53 0.00 -1.70 5.03 -1.26 -4.19 115.26 122.20 1og0 n ASN 308 Ca 0.18 -0.03 0.12 0.00 0.87 0.00 0.00 54.58 55.72 1og0 n ASN 308 Cb 0.46 1.02 0.57 0.00 -1.02 0.00 0.00 39.78 40.81 1og0 n ASN 308 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1og0 n ALA 309 N -2.03 2.18 -3.24 5.41 0.00 -1.26 -4.36 120.51 117.21 1og0 n ALA 309 Ca -0.00 -0.10 -0.46 0.00 0.00 0.00 0.00 53.44 52.88 1og0 n ALA 309 Cb 0.50 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 1og0 n ALA 309 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1og0 s ILE 310 N -2.75 5.33 -0.68 0.00 1.01 -1.26 -0.68 121.20 122.18 1og0 s ILE 310 Ca 0.18 -2.03 0.22 0.00 0.00 0.00 0.00 60.65 59.03 1og0 s ILE 310 Cb 0.16 -4.50 -0.17 0.00 0.01 0.00 0.00 42.46 37.96 1og0 s ILE 310 CO 0.40 -1.09 0.94 0.35 0.00 0.00 0.00 174.94 175.54 1og0 n THR 311 N 4.57 0.08 -3.62 2.92 -2.24 -0.63 -4.93 114.28 110.42 1og0 n THR 311 Ca 0.09 -0.18 -0.16 0.00 -2.27 0.00 0.00 64.05 61.52 1og0 n THR 311 Cb 0.46 0.43 -0.07 0.00 -2.10 0.00 0.00 70.33 69.04 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 -3.52 -0.40 0.32 3.38 0.00 -0.93 -0.16 107.32 106.00 1og0 s GLY 312 Ca 0.04 0.91 0.03 0.00 0.00 0.00 0.00 44.72 45.70 1og0 s GLY 312 CO 0.83 0.61 0.07 -1.34 0.00 0.00 0.00 173.10 173.27 1og0 s VAL 313 N -1.26 1.03 -0.04 1.40 -7.23 -0.75 0.07 120.40 113.61 1og0 s VAL 313 Ca -0.12 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.04 1og0 s VAL 313 Cb -0.02 -2.74 0.03 0.00 0.56 0.00 0.00 36.38 34.21 1og0 s VAL 313 CO 0.08 0.00 0.08 -0.32 -0.31 0.00 0.00 175.10 174.63 1og0 s MET 314 N -3.91 -0.00 0.06 4.82 0.00 -0.13 -2.24 119.30 117.89 1og0 s MET 314 Ca 0.36 0.31 0.07 0.00 0.00 0.00 0.00 55.69 56.43 1og0 s MET 314 Cb 0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 34.83 34.61 1og0 s MET 314 CO 0.15 -0.21 -0.20 0.42 0.00 0.00 0.00 175.02 175.18 1og0 s ILE 315 N 1.40 1.60 -0.55 10.11 1.01 -0.84 -0.98 121.20 132.95 1og0 s ILE 315 Ca -0.06 -1.25 -0.06 0.00 0.00 0.00 0.00 60.65 59.28 1og0 s ILE 315 Cb -0.12 -1.42 0.14 0.00 0.01 0.00 0.00 42.46 41.07 1og0 s ILE 315 CO -0.04 0.12 0.39 -1.61 0.00 0.00 0.00 174.94 173.79 1og0 s GLU 316 N -1.34 2.50 0.35 2.79 2.02 -1.26 -2.49 118.70 121.26 1og0 s GLU 316 Ca 0.06 -2.15 0.08 0.00 0.02 0.00 0.00 54.97 52.98 1og0 s GLU 316 Cb -0.09 -3.81 -0.03 0.00 0.10 0.00 0.00 34.13 30.30 1og0 s GLU 316 CO 0.02 -1.17 0.26 0.45 0.02 0.00 0.00 175.26 174.85 1og0 s SER 317 N 1.63 5.10 0.28 -0.19 0.15 -0.77 -2.15 113.70 117.75 1og0 s SER 317 Ca 0.12 -0.60 -0.20 0.00 0.70 0.00 0.00 55.95 55.97 1og0 s SER 317 Cb -0.21 -0.87 0.05 0.00 -1.71 0.00 0.00 66.02 63.28 1og0 s SER 317 CO -0.03 -0.37 0.84 0.21 1.20 0.00 0.00 173.24 175.08 1og0 s ASN 318 N -3.97 -0.11 0.17 5.45 3.84 -0.63 -1.11 114.94 118.58 1og0 s ASN 318 Ca 0.41 -0.78 -0.13 0.00 0.21 0.00 0.00 52.86 52.57 1og0 s ASN 318 Cb -0.05 0.70 0.07 0.00 -0.55 0.00 0.00 41.25 41.42 1og0 s ASN 318 CO 0.26 -1.34 1.76 0.40 -2.79 0.00 0.00 177.10 175.39 1og0 h ILE 319 N 2.00 1.20 -4.13 -5.21 2.04 -1.84 -1.36 117.51 110.21 1og0 h ILE 319 Ca -0.26 -0.56 -0.47 0.00 1.00 0.00 0.00 64.86 64.56 1og0 h ILE 319 Cb 1.24 0.52 -0.27 0.00 -0.74 0.00 0.00 36.82 37.57 1og0 h ILE 319 CO 0.32 0.23 -0.81 0.20 0.00 0.00 0.00 178.15 178.09 1og0 s ASN 320 N -5.95 1.69 1.06 1.72 0.01 -0.27 -2.39 114.94 110.80 1og0 s ASN 320 Ca -0.13 -0.35 -0.13 0.00 -0.71 0.00 0.00 52.86 51.55 1og0 s ASN 320 Cb 0.13 -0.15 0.22 0.00 0.41 0.00 0.00 41.25 41.86 1og0 s ASN 320 CO 0.78 0.12 1.07 -1.83 -1.51 0.00 0.00 177.10 175.73 1og0 s GLU 321 N -0.69 -0.07 2.71 -0.60 -1.05 -1.26 -4.54 118.70 113.21 1og0 s GLU 321 Ca 0.04 0.59 0.00 0.00 -0.15 0.00 0.00 54.97 55.45 1og0 s GLU 321 Cb -0.06 -1.67 0.00 0.00 -0.44 0.00 0.00 34.13 31.95 1og0 s GLU 321 CO 0.00 -3.09 0.00 0.41 0.95 0.00 0.00 175.26 173.54 1og0 n GLY 322 N -0.50 -0.38 2.23 -3.83 0.00 -0.58 -4.84 105.19 97.29 1og0 n GLY 322 Ca 0.04 -1.19 -0.01 0.00 0.00 0.00 0.00 46.02 44.86 1og0 n GLY 322 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1og0 n ASN 323 N 0.90 -0.98 -3.46 1.61 6.94 -1.26 -1.83 115.26 117.18 1og0 n ASN 323 Ca 0.00 -1.49 -0.10 0.00 -0.02 0.00 0.00 54.58 52.96 1og0 n ASN 323 Cb 0.00 1.59 -0.02 0.00 -2.36 0.00 0.00 39.78 38.98 1og0 n ASN 323 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1og0 s GLN 324 N -2.03 1.06 0.33 -3.83 -2.07 -0.69 -4.94 119.66 107.50 1og0 s GLN 324 Ca 0.14 -0.38 0.02 0.00 -1.82 0.00 0.00 55.36 53.31 1og0 s GLN 324 Cb -0.02 0.49 -0.03 0.00 -1.09 0.00 0.00 33.01 32.37 1og0 s GLN 324 CO 0.03 -0.46 0.51 0.20 -1.32 0.00 0.00 175.29 174.25 1og0 s GLY 325 N -2.61 1.35 0.04 2.60 0.00 -1.26 -4.36 107.32 103.08 1og0 s GLY 325 Ca 0.03 -1.05 -0.30 0.00 0.00 0.00 0.00 44.72 43.40 1og0 s GLY 325 CO -0.11 -0.99 1.29 -0.42 0.00 0.00 0.00 173.10 172.87 1og0 s ILE 326 N -2.25 3.84 0.90 0.90 1.01 -1.26 -4.94 121.20 119.41 1og0 s ILE 326 Ca 0.40 1.28 -0.15 0.00 0.00 0.00 0.00 60.65 62.18 1og0 s ILE 326 Cb -0.09 -3.82 0.23 0.00 0.01 0.00 0.00 42.46 38.78 1og0 s ILE 326 CO 0.34 0.06 0.59 -2.65 0.00 0.00 0.00 174.94 173.28 1og0 n PRO 327 N 4.48 -3.49 -0.03 2.79 -0.02 -1.26 -4.86 135.00 132.61 1og0 n PRO 327 Ca 0.11 -0.98 -0.14 0.00 -2.02 0.00 0.00 63.50 60.47 1og0 n PRO 327 Cb 0.45 -1.17 -0.10 0.00 -0.02 0.00 0.00 33.50 32.65 1og0 n PRO 327 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1og0 h ALA 328 N -2.91 0.04 0.00 3.55 0.00 -1.99 -2.88 119.26 115.07 1og0 h ALA 328 Ca -0.25 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1og0 h ALA 328 Cb 0.84 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1og0 h ALA 328 CO 0.16 -0.06 0.00 0.39 0.00 0.00 0.00 179.25 179.74 1og0 n GLU 329 N -4.66 0.38 0.00 0.00 4.71 -1.26 -4.94 120.64 114.87 1og0 n GLU 329 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.06 1og0 n GLU 329 Cb 0.38 -1.08 0.00 0.00 -1.01 0.00 0.00 31.44 29.74 1og0 n GLU 329 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1og0 n GLY 330 N 0.05 0.90 0.00 0.62 0.00 -1.09 -3.03 105.19 102.64 1og0 n GLY 330 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1og0 n GLY 330 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1og0 n LYS 331 N 0.00 0.00 -0.00 1.61 4.81 -1.24 -0.50 118.16 122.83 1og0 n LYS 331 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 1og0 n LYS 331 Cb 0.00 -1.35 -0.13 0.00 0.02 0.00 0.00 35.03 33.58 1og0 n LYS 331 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1og0 n ALA 332 N -0.52 3.85 0.73 3.14 0.00 -1.17 -4.24 120.51 122.30 1og0 n ALA 332 Ca 0.00 -0.52 0.10 0.00 0.00 0.00 0.00 53.44 53.02 1og0 n ALA 332 Cb 0.00 -0.70 0.10 0.00 0.00 0.00 0.00 19.45 18.85 1og0 n ALA 332 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1og0 n GLY 333 N 1.42 0.73 3.74 0.00 0.00 0.34 -4.99 105.19 106.43 1og0 n GLY 333 Ca 0.01 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1og0 n GLY 333 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1og0 s LEU 334 N -1.60 4.40 0.27 0.99 1.43 -1.25 -4.86 118.68 118.06 1og0 s LEU 334 Ca 0.25 2.45 -0.29 0.00 -1.03 0.00 0.00 54.13 55.50 1og0 s LEU 334 Cb 0.17 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.69 1og0 s LEU 334 CO 0.25 -0.58 1.14 -0.54 0.23 0.00 0.00 176.35 176.85 1og0 s LYS 335 N -0.00 4.58 0.82 1.70 1.02 -1.26 -4.99 119.74 121.60 1og0 s LYS 335 Ca 0.58 1.87 -0.13 0.00 0.02 0.00 0.00 55.97 58.31 1og0 s LYS 335 Cb -0.38 -3.18 0.09 0.00 -0.52 0.00 0.00 37.83 33.84 1og0 s LYS 335 CO 0.38 0.11 1.20 -0.47 -0.92 0.00 0.00 175.35 175.65 1og0 s TYR 336 N -0.97 1.80 -0.34 3.18 5.04 -1.26 -3.29 117.35 121.52 1og0 s TYR 336 Ca 0.46 1.69 -0.04 0.00 -2.44 0.00 0.00 57.07 56.74 1og0 s TYR 336 Cb -0.33 -3.46 0.04 0.00 0.35 0.00 0.00 41.96 38.57 1og0 s TYR 336 CO 0.42 -2.82 0.11 0.41 -1.34 0.00 0.00 175.55 172.33 1og0 n GLY 337 N 0.41 -0.42 3.12 8.97 0.00 -1.26 -4.77 105.19 111.24 1og0 n GLY 337 Ca 0.13 0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.01 1.98 0.62 1.61 1.01 -1.21 -1.11 120.40 121.30 1og0 s VAL 338 Ca 0.15 -0.90 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 1og0 s VAL 338 Cb -0.09 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1og0 s VAL 338 CO 0.18 0.53 0.92 -0.24 0.00 0.00 0.00 175.10 176.49 1og0 n SER 339 N 4.49 0.52 -0.66 3.32 2.88 -1.26 -4.75 113.62 118.16 1og0 n SER 339 Ca -0.20 0.77 0.06 0.00 -1.33 0.00 0.00 58.87 58.17 1og0 n SER 339 Cb 0.50 -1.37 0.16 0.00 -0.75 0.00 0.00 64.21 62.76 1og0 n SER 339 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1og0 n ILE 340 N -1.88 1.12 0.00 2.46 -5.35 -1.26 -1.71 119.36 112.74 1og0 n ILE 340 Ca 0.14 -1.08 0.00 0.00 -0.27 0.00 0.00 62.75 61.53 1og0 n ILE 340 Cb 0.48 0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.81 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 0.41 0.00 -1.83 7.28 -2.24 -1.26 -4.74 114.28 111.90 1og0 n THR 341 Ca 0.12 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.57 1og0 n THR 341 Cb 0.47 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.74 1og0 n THR 341 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1og0 s ASP 342 N 1.00 5.10 0.50 3.42 1.01 -1.26 -4.72 116.67 121.72 1og0 s ASP 342 Ca 0.00 2.12 -0.18 0.00 0.71 0.00 0.00 52.55 55.19 1og0 s ASP 342 Cb 0.00 -2.57 -0.08 0.00 1.01 0.00 0.00 42.92 41.29 1og0 s ASP 342 CO 0.00 -1.64 1.01 0.00 0.21 0.00 0.00 175.17 174.75 1og0 s ALA 343 N -2.12 2.94 0.26 5.23 0.00 -1.26 -4.74 121.76 122.06 1og0 s ALA 343 Ca 0.70 0.39 0.04 0.00 0.00 0.00 0.00 51.96 53.09 1og0 s ALA 343 Cb -0.23 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 1og0 s ALA 343 CO 0.38 -0.30 0.01 0.00 0.00 0.00 0.00 175.76 175.85 1og0 s ILE 345 N -3.36 4.77 1.21 0.00 -4.36 -0.92 -1.52 121.20 117.02 1og0 s ILE 345 Ca 0.31 0.74 -0.17 0.00 -0.26 0.00 0.00 60.65 61.27 1og0 s ILE 345 Cb 0.06 -3.63 0.29 0.00 1.25 0.00 0.00 42.46 40.43 1og0 s ILE 345 CO 0.11 -0.20 1.05 -0.83 0.24 0.00 0.00 174.94 175.31 1og0 s GLY 346 N -2.44 1.53 0.09 6.27 0.00 -1.26 -1.61 107.32 109.90 1og0 s GLY 346 Ca 0.52 -0.66 -0.19 0.00 0.00 0.00 0.00 44.72 44.38 1og0 s GLY 346 CO 0.21 0.17 1.58 -0.25 0.00 0.00 0.00 173.10 174.80 1og0 h TRP 347 N -2.65 0.38 -0.06 1.90 2.91 -0.87 -2.37 115.95 115.19 1og0 h TRP 347 Ca -0.50 -0.04 0.04 0.00 1.13 0.00 0.00 58.89 59.52 1og0 h TRP 347 Cb 1.32 -0.11 -0.06 0.00 -0.51 0.00 0.00 29.16 29.81 1og0 h TRP 347 CO -1.45 0.46 -0.32 0.93 -1.03 0.00 0.00 178.44 177.04 1og0 h GLU 348 N 0.19 -0.42 -0.83 2.65 3.07 -1.88 0.03 114.58 117.39 1og0 h GLU 348 Ca 0.07 0.03 0.15 0.00 -0.50 0.00 0.00 59.36 59.11 1og0 h GLU 348 Cb 0.27 0.09 -0.06 0.00 -0.84 0.00 0.00 28.75 28.22 1og0 h GLU 348 CO 0.00 -0.28 0.54 1.15 -1.40 0.00 0.00 179.01 179.02 1og0 h THR 349 N -0.43 0.80 -0.01 1.13 2.02 -1.91 0.59 112.91 115.10 1og0 h THR 349 Ca 0.08 -0.18 -0.11 0.00 0.77 0.00 0.00 66.41 66.97 1og0 h THR 349 Cb 0.55 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1og0 h THR 349 CO -0.31 0.10 -0.50 0.74 0.37 0.00 0.00 175.52 175.92 1og0 h THR 350 N 0.53 1.36 -0.07 3.16 2.02 -0.50 0.63 112.91 120.04 1og0 h THR 350 Ca 0.41 -1.71 -0.22 0.00 0.77 0.00 0.00 66.41 65.67 1og0 h THR 350 Cb 0.83 1.91 0.01 0.00 -1.74 0.00 0.00 68.15 69.16 1og0 h THR 350 CO -0.16 0.49 -0.84 -0.08 0.37 0.00 0.00 175.52 175.30 1og0 h GLU 351 N 0.02 0.57 0.02 6.66 4.81 0.44 -0.95 114.58 126.14 1og0 h GLU 351 Ca -0.00 -0.51 -0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1og0 h GLU 351 Cb 0.89 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1og0 h GLU 351 CO 0.07 1.14 -0.01 -0.44 -0.73 0.00 0.00 179.01 179.04 1og0 h ASP 352 N 0.36 -0.02 -0.84 1.04 3.32 -0.98 -2.18 116.42 117.12 1og0 h ASP 352 Ca -0.06 -0.33 0.06 0.00 0.02 0.00 0.00 57.03 56.72 1og0 h ASP 352 Cb 1.46 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.95 1og0 h ASP 352 CO 0.16 0.32 0.51 0.58 -1.72 0.00 0.00 179.24 179.09 1og0 h VAL 353 N -0.36 1.02 -0.24 -1.35 2.07 -0.85 -1.82 116.25 114.72 1og0 h VAL 353 Ca -0.00 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.12 1og0 h VAL 353 Cb 0.35 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1og0 h VAL 353 CO 0.00 0.17 -0.17 -0.07 0.02 0.00 0.00 177.57 177.53 1og0 h LEU 354 N 0.93 0.56 -0.66 2.57 3.38 -1.12 -2.40 115.31 118.58 1og0 h LEU 354 Ca 0.37 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1og0 h LEU 354 Cb 0.19 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1og0 h LEU 354 CO -0.18 0.88 0.31 0.03 0.09 0.00 0.00 178.44 179.57 1og0 h ARG 355 N 0.24 0.95 -0.81 1.13 3.08 -1.23 0.20 114.38 117.94 1og0 h ARG 355 Ca 0.05 -0.14 0.05 0.00 0.07 0.00 0.00 59.98 60.00 1og0 h ARG 355 Cb 0.69 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.53 1og0 h ARG 355 CO 0.04 0.76 0.53 -0.22 -1.07 0.00 0.00 179.97 180.02 1og0 h LYS 356 N 0.91 0.91 0.02 0.04 3.11 -1.33 0.35 116.57 120.59 1og0 h LYS 356 Ca 0.22 -0.05 -0.22 0.00 -2.81 0.00 0.00 60.65 57.79 1og0 h LYS 356 Cb 0.13 -0.21 -0.00 0.00 -1.00 0.00 0.00 32.23 31.15 1og0 h LYS 356 CO -0.03 0.60 -0.97 1.25 -2.81 0.00 0.00 179.45 177.50 1og0 h LEU 357 N 0.94 0.37 -0.48 5.20 5.85 -0.80 -1.92 115.31 124.47 1og0 h LEU 357 Ca 0.34 -0.32 -0.16 0.00 0.84 0.00 0.00 57.88 58.58 1og0 h LEU 357 Cb 0.14 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1og0 h LEU 357 CO -0.11 1.14 -0.53 0.00 -0.34 0.00 0.00 178.44 178.61 1og0 h ALA 358 N 0.83 0.66 -0.52 1.25 0.00 0.32 -1.84 119.26 119.95 1og0 h ALA 358 Ca -0.07 -0.50 0.06 0.00 0.00 0.00 0.00 54.91 54.39 1og0 h ALA 358 Cb 1.62 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.27 1og0 h ALA 358 CO 0.16 0.68 0.23 0.00 0.00 0.00 0.00 179.25 180.32 1og0 h ALA 359 N 0.91 0.66 0.00 0.00 0.00 -0.24 -1.24 119.26 119.35 1og0 h ALA 359 Ca 0.02 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1og0 h ALA 359 Cb 1.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1og0 h ALA 359 CO 0.10 -0.14 -0.20 0.00 0.00 0.00 0.00 179.25 179.02 1og0 h ALA 360 N 1.31 1.30 0.02 0.00 0.00 -1.00 -1.02 119.26 119.87 1og0 h ALA 360 Ca 0.24 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.74 1og0 h ALA 360 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1og0 h ALA 360 CO -0.20 0.24 -0.99 0.28 0.00 0.00 0.00 179.25 178.59 1og0 h VAL 361 N 0.00 1.41 -0.22 0.00 2.07 -0.42 -1.99 116.25 117.10 1og0 h VAL 361 Ca -0.00 -2.52 -0.07 0.00 0.82 0.00 0.00 66.70 64.92 1og0 h VAL 361 Cb 0.46 2.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1og0 h VAL 361 CO 0.03 0.75 -0.14 0.03 0.02 0.00 0.00 177.57 178.25 1og0 h ARG 362 N 0.21 0.49 0.00 1.57 3.08 -0.87 -2.29 114.38 116.57 1og0 h ARG 362 Ca -0.09 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.70 1og0 h ARG 362 Cb 1.63 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.67 1og0 h ARG 362 CO 0.17 0.79 -0.18 0.37 -1.07 0.00 0.00 179.97 180.05 1og0 h GLN 363 N 0.18 0.00 0.00 0.04 5.75 -1.19 -1.56 115.11 118.34 1og0 h GLN 363 Ca 0.04 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.36 1og0 h GLN 363 Cb 0.66 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.19 1og0 h GLN 363 CO 0.04 0.18 -0.87 -0.09 -2.65 0.00 0.00 178.83 175.44 1og0 h ARG 364 N 0.00 0.03 -0.55 1.69 2.43 -1.25 -2.79 114.38 113.94 1og0 h ARG 364 Ca -0.00 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1og0 h ARG 364 Cb 0.35 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1og0 h ARG 364 CO 0.02 0.87 0.33 -0.09 -1.51 0.00 0.00 179.97 179.59 1og0 h ARG 365 N 0.01 0.74 0.16 0.20 2.43 -0.70 -2.51 114.38 114.72 1og0 h ARG 365 Ca -0.02 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1og0 h ARG 365 Cb 1.52 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1og0 h ARG 365 CO 0.12 0.53 -0.08 1.49 -1.51 0.00 0.00 179.97 180.51 1og0 h GLU 366 N 0.76 -0.21 0.00 0.20 4.57 -1.26 -2.80 114.58 115.83 1og0 h GLU 366 Ca 0.20 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1og0 h GLU 366 Cb -0.02 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1og0 h GLU 366 CO -0.04 -0.14 0.34 0.28 -1.18 0.00 0.00 179.01 178.27 1og0 n VAL 367 N -2.68 0.62 0.41 0.32 0.31 -1.07 0.25 118.33 116.50 1og0 n VAL 367 Ca -0.03 0.50 0.05 0.00 -0.01 0.00 0.00 64.34 64.85 1og0 n VAL 367 Cb 0.09 -1.50 0.01 0.00 -0.91 0.00 0.00 33.84 31.52 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 -1.15 1.26 -4.75 4.52 5.03 -0.97 -4.98 115.26 114.22 1og0 n ASN 368 Ca 0.00 -1.13 -0.41 0.00 0.87 0.00 0.00 54.58 53.91 1og0 n ASN 368 Cb 0.34 0.40 -0.03 0.00 -1.02 0.00 0.00 39.78 39.47 1og0 n ASN 368 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1og0 s LYS 369 N -1.22 4.33 0.00 3.52 -0.14 0.14 -5.09 119.74 121.28 1og0 s LYS 369 Ca 0.08 2.18 0.00 0.00 -1.36 0.00 0.00 55.97 56.88 1og0 s LYS 369 Cb 0.08 -3.14 0.00 0.00 -1.68 0.00 0.00 37.83 33.09 1og0 s LYS 369 CO 0.22 -0.31 0.00 1.63 -0.76 0.00 0.00 175.35 176.12