#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 0.00 -2.81 4.61 0.00 -1.26 -5.11 120.51 115.95 1og0 n ALA 19 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1og0 n ALA 19 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 1og0 n ALA 19 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1og0 n GLU 20 N -0.47 1.07 -2.70 0.00 2.13 -1.26 -5.13 120.64 114.27 1og0 n GLU 20 Ca 0.00 -2.37 -0.22 0.00 0.66 0.00 0.00 57.16 55.24 1og0 n GLU 20 Cb 0.00 -0.95 0.07 0.00 0.27 0.00 0.00 31.44 30.83 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 -0.72 2.14 -0.62 5.31 2.02 -1.26 -4.49 118.70 121.07 1og0 s GLU 21 Ca 0.26 -1.10 0.00 0.00 0.02 0.00 0.00 54.97 54.15 1og0 s GLU 21 Cb 0.35 -2.46 0.00 0.00 0.10 0.00 0.00 34.13 32.12 1og0 s GLU 21 CO -0.06 -1.04 0.00 -0.25 0.02 0.00 0.00 175.26 173.94 1og0 n ASP 22 N -2.51 -1.87 0.32 -0.19 8.00 -1.26 -4.78 116.55 114.27 1og0 n ASP 22 Ca 0.12 0.15 0.20 0.00 0.71 0.00 0.00 54.79 55.97 1og0 n ASP 22 Cb 0.60 -1.89 1.12 0.00 -0.02 0.00 0.00 41.12 40.94 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 0.17 -0.38 2.53 -1.51 -2.02 0.88 116.25 115.92 1og0 h VAL 23 Ca -0.12 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 1og0 h VAL 23 Cb 0.44 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 1og0 h VAL 23 CO 0.18 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 177.06 1og0 n ARG 24 N -3.32 2.90 -3.54 5.19 1.74 -1.26 -4.87 116.66 113.50 1og0 n ARG 24 Ca -0.03 -2.22 -0.41 0.00 -0.77 0.00 0.00 57.85 54.42 1og0 n ARG 24 Cb 0.09 -1.38 -0.10 0.00 -1.02 0.00 0.00 32.46 30.05 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 -1.23 4.56 0.30 0.55 -1.09 0.30 -4.95 121.20 119.64 1og0 s ILE 25 Ca 0.28 -1.22 0.37 0.00 -2.23 0.00 0.00 60.65 57.85 1og0 s ILE 25 Cb 0.16 -3.73 0.40 0.00 -1.58 0.00 0.00 42.46 37.71 1og0 s ILE 25 CO 0.17 -0.48 2.11 -0.07 -1.23 0.00 0.00 174.94 175.43 1og0 h LEU 26 N 8.51 0.00 0.00 2.97 3.38 -1.89 -3.48 115.31 124.79 1og0 h LEU 26 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 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 0.78 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.93 1og0 n GLY 27 N -0.35 3.88 3.82 0.83 0.00 -1.26 -5.14 105.19 106.97 1og0 n GLY 27 Ca -0.01 -1.16 -0.24 0.00 0.00 0.00 0.00 46.02 44.62 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 3.15 0.03 1.61 1.51 -1.26 -5.13 117.35 115.26 1og0 s TYR 28 Ca 0.00 -0.06 0.05 0.00 -1.01 0.00 0.00 57.07 56.05 1og0 s TYR 28 Cb 0.00 -1.47 -0.02 0.00 -0.11 0.00 0.00 41.96 40.36 1og0 s TYR 28 CO 0.00 0.52 -0.14 -0.51 -1.11 0.00 0.00 175.55 174.31 1og0 s ASP 29 N -3.48 1.62 0.34 2.29 1.01 -1.26 -5.11 116.67 112.08 1og0 s ASP 29 Ca 0.32 -0.41 -0.29 0.00 0.71 0.00 0.00 52.55 52.88 1og0 s ASP 29 Cb -0.09 -0.12 -0.11 0.00 1.01 0.00 0.00 42.92 43.61 1og0 s ASP 29 CO 0.24 0.06 1.54 -2.16 0.21 0.00 0.00 175.17 175.07 1og0 s PRO 30 N -0.95 4.11 -0.11 8.23 0.04 -1.26 -5.00 135.00 140.07 1og0 s PRO 30 Ca 0.02 2.59 0.01 0.00 0.04 0.00 0.00 61.00 63.65 1og0 s PRO 30 Cb -0.07 -2.99 0.02 0.00 0.04 0.00 0.00 34.50 31.50 1og0 s PRO 30 CO 0.01 -0.59 -0.11 -1.17 0.04 0.00 0.00 177.00 175.17 1og0 s LEU 31 N -1.31 1.49 0.33 -3.56 2.96 -1.26 -4.93 118.68 112.40 1og0 s LEU 31 Ca 0.58 -0.36 -0.29 0.00 -0.22 0.00 0.00 54.13 53.84 1og0 s LEU 31 Cb -0.47 -0.95 -0.12 0.00 0.50 0.00 0.00 46.19 45.15 1og0 s LEU 31 CO 0.56 -0.05 1.50 0.00 -1.32 0.00 0.00 176.35 177.04 1og0 n ALA 32 N 4.51 2.20 -1.49 5.97 0.00 -1.26 -4.96 120.51 125.49 1og0 n ALA 32 Ca -0.17 0.36 -0.30 0.00 0.00 0.00 0.00 53.44 53.33 1og0 n ALA 32 Cb 0.51 -2.40 0.08 0.00 0.00 0.00 0.00 19.45 17.63 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 0.11 4.69 0.11 0.00 1.04 -1.26 -4.82 113.70 113.56 1og0 s SER 33 Ca 0.59 1.49 -0.24 0.00 0.48 0.00 0.00 55.95 58.27 1og0 s SER 33 Cb -0.51 -2.27 -0.10 0.00 0.10 0.00 0.00 66.02 63.25 1og0 s SER 33 CO 0.57 -1.87 1.69 -0.65 0.98 0.00 0.00 173.24 173.96 1og0 h PRO 34 N -1.02 -0.22 -0.76 4.02 0.11 -1.79 -0.32 132.00 132.02 1og0 h PRO 34 Ca -0.46 0.02 0.15 0.00 0.11 0.00 0.00 66.00 65.81 1og0 h PRO 34 Cb 1.25 0.05 -0.10 0.00 0.11 0.00 0.00 31.00 32.31 1og0 h PRO 34 CO 0.57 -0.15 0.29 0.00 -0.21 0.00 0.00 178.00 178.50 1og0 h ALA 35 N 0.69 1.07 -0.13 -0.75 0.00 -0.44 0.38 119.26 120.07 1og0 h ALA 35 Ca 0.03 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1og0 h ALA 35 Cb 0.26 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1og0 h ALA 35 CO -0.08 -0.23 0.05 1.25 0.00 0.00 0.00 179.25 180.24 1og0 h LEU 36 N 0.43 0.17 -0.89 0.00 5.85 -1.65 -2.70 115.31 116.52 1og0 h LEU 36 Ca 0.42 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 1og0 h LEU 36 Cb 0.65 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 1og0 h LEU 36 CO -0.42 0.29 0.48 0.25 -0.34 0.00 0.00 178.44 178.70 1og0 h LEU 37 N 0.05 1.12 -1.64 2.25 7.12 0.20 -1.37 115.31 123.05 1og0 h LEU 37 Ca 0.04 -0.11 0.00 0.00 0.13 0.00 0.00 57.88 57.95 1og0 h LEU 37 Cb 0.16 -0.29 0.00 0.00 -0.53 0.00 0.00 40.66 40.01 1og0 h LEU 37 CO -0.00 0.90 0.00 1.56 -0.13 0.00 0.00 178.44 180.77 1og0 h GLN 38 N 1.25 0.00 0.05 1.25 4.20 -0.11 -0.10 115.11 121.65 1og0 h GLN 38 Ca 0.31 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.71 1og0 h GLN 38 Cb 0.04 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 1og0 h GLN 38 CO -0.05 0.00 -1.74 0.28 -0.67 0.00 0.00 178.83 176.66 1og0 n VAL 39 N -2.67 1.64 -0.04 -0.54 0.31 -0.78 -3.48 118.33 112.78 1og0 n VAL 39 Ca -0.00 -0.35 -0.09 0.00 -0.01 0.00 0.00 64.34 63.89 1og0 n VAL 39 Cb 0.16 -1.87 -0.03 0.00 -0.91 0.00 0.00 33.84 31.19 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 -0.49 0.00 -3.22 5.55 4.20 -0.83 -3.27 115.11 117.06 1og0 h GLN 40 Ca -0.42 -0.00 -0.65 0.00 0.06 0.00 0.00 58.65 57.64 1og0 h GLN 40 Cb 1.67 -0.00 -0.39 0.00 0.30 0.00 0.00 27.48 29.06 1og0 h GLN 40 CO -0.09 0.00 -0.41 0.42 -0.67 0.00 0.00 178.83 178.08 1og0 s ILE 41 N -6.20 3.40 0.60 2.54 1.01 -0.09 -5.09 121.20 117.37 1og0 s ILE 41 Ca -0.13 -3.98 -0.17 0.00 0.00 0.00 0.00 60.65 56.37 1og0 s ILE 41 Cb 0.10 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 1og0 s ILE 41 CO 0.68 -1.00 1.10 -2.16 0.00 0.00 0.00 174.94 173.56 1og0 s PRO 42 N -1.23 3.10 -0.18 2.79 0.04 -1.23 -4.62 135.00 133.68 1og0 s PRO 42 Ca 0.24 1.42 -0.17 0.00 0.04 0.00 0.00 61.00 62.54 1og0 s PRO 42 Cb -0.08 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1og0 s PRO 42 CO -0.13 -1.01 0.45 0.00 0.04 0.00 0.00 177.00 176.35 1og0 s ALA 43 N -2.17 3.53 0.77 8.56 0.00 -1.26 -5.02 121.76 126.17 1og0 s ALA 43 Ca 0.68 -0.39 -0.12 0.00 0.00 0.00 0.00 51.96 52.14 1og0 s ALA 43 Cb -0.20 -2.68 0.06 0.00 0.00 0.00 0.00 23.12 20.30 1og0 s ALA 43 CO 0.35 -0.24 1.11 0.95 0.00 0.00 0.00 175.76 177.94 1og0 s THR 44 N 1.17 3.04 0.44 0.00 -4.23 -1.26 -4.79 115.64 110.01 1og0 s THR 44 Ca 0.22 0.37 0.15 0.00 -1.18 0.00 0.00 61.69 61.26 1og0 s THR 44 Cb -0.15 -2.80 0.33 0.00 1.34 0.00 0.00 72.50 71.23 1og0 s THR 44 CO 0.09 -0.41 1.98 -0.65 -0.54 0.00 0.00 174.62 175.09 1og0 h PRO 45 N -0.98 0.35 -0.08 3.99 0.11 -1.99 -0.97 132.00 132.43 1og0 h PRO 45 Ca -0.44 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1og0 h PRO 45 Cb 1.24 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1og0 h PRO 45 CO 0.50 0.23 -0.00 1.15 -0.21 0.00 0.00 178.00 179.67 1og0 h THR 46 N 0.36 1.26 -0.49 -1.15 2.02 -1.91 -1.25 112.91 111.76 1og0 h THR 46 Ca 0.28 -0.81 0.08 0.00 0.77 0.00 0.00 66.41 66.73 1og0 h THR 46 Cb 0.60 1.66 -0.07 0.00 -1.74 0.00 0.00 68.15 68.60 1og0 h THR 46 CO -0.07 0.23 0.08 0.28 0.37 0.00 0.00 175.52 176.41 1og0 h SER 47 N -0.16 -0.03 0.31 4.18 0.02 -1.32 0.30 113.55 116.85 1og0 h SER 47 Ca 0.02 0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 1og0 h SER 47 Cb 0.36 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 1og0 h SER 47 CO 0.00 0.01 -0.33 -0.07 -1.14 0.00 0.00 176.83 175.30 1og0 h LEU 48 N 0.21 0.03 0.03 5.07 3.38 -1.24 -1.81 115.31 120.99 1og0 h LEU 48 Ca 0.24 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.99 1og0 h LEU 48 Cb 0.33 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.09 1og0 h LEU 48 CO -0.33 0.37 -0.86 -0.08 0.09 0.00 0.00 178.44 177.63 1og0 h GLU 49 N 0.03 0.53 -0.62 1.13 4.57 0.02 -2.90 114.58 117.34 1og0 h GLU 49 Ca 0.00 -0.61 0.05 0.00 -1.18 0.00 0.00 59.36 57.62 1og0 h GLU 49 Cb 0.61 0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 29.33 1og0 h GLU 49 CO 0.04 1.23 0.35 1.15 -1.18 0.00 0.00 179.01 180.60 1og0 h THR 50 N 0.09 0.99 -0.65 0.32 2.02 -0.27 -0.59 112.91 114.81 1og0 h THR 50 Ca -0.12 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1og0 h THR 50 Cb 1.56 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 1og0 h THR 50 CO 0.17 0.12 0.38 0.00 0.37 0.00 0.00 175.52 176.55 1og0 h ALA 51 N 1.31 0.83 -0.52 6.16 0.00 -1.37 -1.27 119.26 124.40 1og0 h ALA 51 Ca 0.27 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1og0 h ALA 51 Cb 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1og0 h ALA 51 CO -0.16 0.33 -0.02 0.87 0.00 0.00 0.00 179.25 180.27 1og0 h LYS 52 N 0.89 0.93 -0.06 0.00 1.57 -1.21 -2.67 116.57 116.02 1og0 h LYS 52 Ca 0.23 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1og0 h LYS 52 Cb 0.01 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 1og0 h LYS 52 CO -0.04 0.96 0.03 -0.09 -0.57 0.00 0.00 179.45 179.74 1og0 h ARG 53 N 0.80 0.08 -0.85 3.15 2.43 -0.86 -2.03 114.38 117.10 1og0 h ARG 53 Ca 0.15 -0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.44 1og0 h ARG 53 Cb 0.55 -0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 30.00 1og0 h ARG 53 CO 0.03 0.12 0.45 0.78 -1.51 0.00 0.00 179.97 179.84 1og0 h GLY 54 N 0.01 1.37 1.02 2.80 0.00 -1.15 -0.45 103.07 106.67 1og0 h GLY 54 Ca 0.02 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1og0 h GLY 54 CO -0.00 0.00 0.02 3.21 0.00 0.00 0.00 176.54 179.77 1og0 h ARG 55 N 0.67 0.91 0.14 4.80 3.08 -1.19 -0.95 114.38 121.84 1og0 h ARG 55 Ca 0.45 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1og0 h ARG 55 Cb 0.59 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1og0 h ARG 55 CO -0.33 0.92 -0.07 0.00 -1.07 0.00 0.00 179.97 179.42 1og0 h ARG 56 N 0.78 -0.19 -0.43 0.04 3.08 -0.49 0.77 114.38 117.95 1og0 h ARG 56 Ca 0.15 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.22 1og0 h ARG 56 Cb 0.50 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1og0 h ARG 56 CO 0.02 -0.07 0.28 0.93 -1.07 0.00 0.00 179.97 180.07 1og0 h GLU 57 N -0.25 0.56 -0.58 0.04 5.08 -1.10 -0.81 114.58 117.51 1og0 h GLU 57 Ca -0.02 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1og0 h GLU 57 Cb 0.20 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1og0 h GLU 57 CO 0.03 0.37 0.38 0.00 -1.00 0.00 0.00 179.01 178.80 1og0 h ALA 58 N 1.16 0.74 -0.27 3.43 0.00 -1.02 -1.68 119.26 121.64 1og0 h ALA 58 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1og0 h ALA 58 Cb -0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1og0 h ALA 58 CO -0.04 0.17 0.17 0.82 0.00 0.00 0.00 179.25 180.37 1og0 h ILE 59 N 0.78 1.08 -0.84 0.00 2.04 -0.39 -1.66 117.51 118.52 1og0 h ILE 59 Ca 0.22 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 1og0 h ILE 59 Cb -0.08 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1og0 h ILE 59 CO -0.05 0.07 0.49 0.44 0.00 0.00 0.00 178.15 179.10 1og0 h ASP 60 N 0.35 1.02 -0.11 1.72 3.32 -0.87 -2.16 116.42 119.69 1og0 h ASP 60 Ca 0.10 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1og0 h ASP 60 Cb -0.03 -0.26 -0.00 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 0.00 179.24 178.66 1og0 h ILE 61 N 1.15 1.30 0.00 0.35 2.04 -1.11 0.74 117.51 121.98 1og0 h ILE 61 Ca 0.30 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1og0 h ILE 61 Cb -0.02 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1og0 h ILE 61 CO -0.05 0.29 0.00 2.30 0.00 0.00 0.00 178.15 180.68 1og0 n ILE 62 N -4.74 0.67 0.83 -0.67 -5.35 -0.64 -2.71 119.36 106.75 1og0 n ILE 62 Ca -0.06 0.10 0.10 0.00 -0.27 0.00 0.00 62.75 62.62 1og0 n ILE 62 Cb 0.25 -0.87 0.08 0.00 -1.74 0.00 0.00 39.64 37.37 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 -1.81 0.00 -0.06 7.28 -2.24 -0.82 -0.66 114.28 115.97 1og0 n THR 63 Ca 0.04 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1og0 n THR 63 Cb 0.26 1.41 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 1.13 0.61 0.18 3.38 0.00 -1.05 -4.95 105.19 104.50 1og0 n GLY 64 Ca 0.12 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 3.86 0.00 -4.60 1.61 1.57 -1.12 -3.43 116.57 114.45 1og0 h LYS 65 Ca 0.00 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.36 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 -4.97 1.15 0.00 0.86 2.15 -0.84 -4.94 116.67 110.09 1og0 s ASP 66 Ca 0.04 -0.18 0.15 0.00 0.43 0.00 0.00 52.55 53.00 1og0 s ASP 66 Cb 0.09 -0.27 0.62 0.00 -0.30 0.00 0.00 42.92 43.06 1og0 s ASP 66 CO 0.50 0.07 1.44 -0.90 -0.17 0.00 0.00 175.17 176.11 1og0 n ASP 67 N 3.20 1.09 -4.90 -0.34 5.68 -1.26 -4.51 116.55 115.52 1og0 n ASP 67 Ca -0.17 -1.75 -0.29 0.00 -0.50 0.00 0.00 54.79 52.08 1og0 n ASP 67 Cb 0.55 -0.10 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 -1.81 2.01 -0.17 0.11 0.52 -1.26 -4.94 118.95 113.41 1og0 s ARG 68 Ca 0.25 0.13 -0.04 0.00 -0.52 0.00 0.00 55.73 55.54 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 0.19 -1.57 -0.04 0.08 0.02 0.00 0.00 175.30 173.98 1og0 s VAL 69 N -3.57 3.83 -0.08 3.52 1.01 -0.55 -4.90 120.40 119.66 1og0 s VAL 69 Ca 0.62 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 1og0 s VAL 69 Cb -0.11 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1og0 s VAL 69 CO 0.49 0.48 1.20 -0.22 0.00 0.00 0.00 175.10 177.05 1og0 s LEU 70 N 0.53 4.26 -0.23 3.92 2.96 0.75 -1.64 118.68 129.23 1og0 s LEU 70 Ca -0.03 1.78 0.02 0.00 -0.22 0.00 0.00 54.13 55.67 1og0 s LEU 70 Cb -0.14 -3.55 0.04 0.00 0.50 0.00 0.00 46.19 43.03 1og0 s LEU 70 CO 0.03 -0.61 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.62 1og0 s VAL 71 N 2.46 2.25 -0.64 1.68 1.01 0.40 -0.87 120.40 126.69 1og0 s VAL 71 Ca 0.55 -1.30 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 1og0 s VAL 71 Cb -0.24 -2.17 0.16 0.00 0.00 0.00 0.00 36.38 34.13 1og0 s VAL 71 CO 0.20 0.20 0.59 -0.63 0.00 0.00 0.00 175.10 175.46 1og0 s ILE 72 N 1.20 5.28 0.06 2.22 -1.09 -0.50 -0.40 121.20 127.99 1og0 s ILE 72 Ca -0.03 -1.88 0.08 0.00 -2.23 0.00 0.00 60.65 56.59 1og0 s ILE 72 Cb -0.17 -4.35 -0.03 0.00 -1.58 0.00 0.00 42.46 36.33 1og0 s ILE 72 CO -0.08 -0.92 -0.22 0.54 -1.23 0.00 0.00 174.94 173.03 1og0 s VAL 73 N 1.05 1.81 -5.00 2.92 0.11 -0.45 -1.40 120.40 119.44 1og0 s VAL 73 Ca 0.09 -1.36 0.00 0.00 -2.93 0.00 0.00 61.98 57.78 1og0 s VAL 73 Cb -0.23 -1.59 0.00 0.00 -1.53 0.00 0.00 36.38 33.04 1og0 s VAL 73 CO -0.02 0.16 0.00 0.61 -3.33 0.00 0.00 175.10 172.53 1og0 n GLY 74 N 1.58 -1.44 3.38 6.54 0.00 -0.82 -0.50 105.19 113.93 1og0 n GLY 74 Ca -0.18 -1.57 -0.35 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 -0.03 -0.13 1.61 -0.02 0.45 -0.48 135.00 135.03 1og0 n PRO 75 Ca 0.00 0.03 -0.09 0.00 -2.02 0.00 0.00 63.50 61.42 1og0 n PRO 75 Cb 0.00 -1.73 0.04 0.00 -0.02 0.00 0.00 33.50 31.79 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 -6.73 -0.63 -0.20 0.00 1.04 -1.26 -4.53 113.70 101.39 1og0 s SER 77 Ca -0.10 0.81 -0.13 0.00 0.48 0.00 0.00 55.95 57.01 1og0 s SER 77 Cb 0.13 0.72 -0.05 0.00 0.10 0.00 0.00 66.02 66.92 1og0 s SER 77 CO 0.85 -0.50 0.24 -0.63 0.98 0.00 0.00 173.24 174.18 1og0 s ILE 78 N -0.83 5.32 0.00 -1.02 -1.09 -0.99 -4.82 121.20 117.76 1og0 s ILE 78 Ca -0.09 0.40 0.00 0.00 -2.23 0.00 0.00 60.65 58.73 1og0 s ILE 78 Cb -0.02 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 1og0 s ILE 78 CO 0.07 0.35 0.20 0.00 -1.23 0.00 0.00 174.94 174.34 1og0 n HIS 79 N 3.98 0.00 -3.64 3.97 1.44 -1.26 -4.23 115.22 115.48 1og0 n HIS 79 Ca -0.13 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.32 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 -0.09 2.59 0.43 4.39 -1.08 -1.26 -5.02 116.67 116.63 1og0 s ASP 80 Ca 0.00 -0.73 0.19 0.00 -0.52 0.00 0.00 52.55 51.50 1og0 s ASP 80 Cb 0.00 -0.34 0.97 0.00 -1.46 0.00 0.00 42.92 42.10 1og0 s ASP 80 CO 0.00 -0.35 1.90 -0.07 0.52 0.00 0.00 175.17 177.17 1og0 h LEU 81 N 8.37 0.00 0.40 -1.34 4.07 -1.98 -1.19 115.31 123.64 1og0 h LEU 81 Ca -0.16 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.78 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 0.27 -0.19 -0.33 -1.08 0.00 0.00 178.44 177.42 1og0 h GLU 82 N 0.00 -0.52 -0.86 1.13 3.07 -1.99 -1.89 114.58 113.52 1og0 h GLU 82 Ca -0.00 0.04 0.06 0.00 -0.50 0.00 0.00 59.36 58.95 1og0 h GLU 82 Cb 0.58 0.12 -0.05 0.00 -0.84 0.00 0.00 28.75 28.55 1og0 h GLU 82 CO 0.04 -0.23 0.56 0.00 -1.40 0.00 0.00 179.01 177.98 1og0 h ALA 83 N -0.76 1.53 -0.09 3.43 0.00 -1.98 -0.34 119.26 121.05 1og0 h ALA 83 Ca -0.06 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1og0 h ALA 83 Cb 0.54 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1og0 h ALA 83 CO 0.09 0.35 -0.25 0.00 0.00 0.00 0.00 179.25 179.44 1og0 h ALA 84 N 1.52 1.40 -0.04 0.00 0.00 -1.22 -1.86 119.26 119.07 1og0 h ALA 84 Ca 0.36 -0.28 -0.22 0.00 0.00 0.00 0.00 54.91 54.77 1og0 h ALA 84 Cb 0.16 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1og0 h ALA 84 CO -0.13 0.42 -0.89 0.37 0.00 0.00 0.00 179.25 179.02 1og0 h GLN 85 N 0.15 0.53 -0.29 0.00 5.75 -0.23 -0.96 115.11 120.06 1og0 h GLN 85 Ca 0.02 -0.51 -0.03 0.00 -0.15 0.00 0.00 58.65 57.98 1og0 h GLN 85 Cb 0.54 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.21 1og0 h GLN 85 CO 0.04 1.14 0.07 1.49 -2.65 0.00 0.00 178.83 178.92 1og0 h GLU 86 N 0.32 0.46 -0.60 1.69 4.81 -1.05 -1.86 114.58 118.36 1og0 h GLU 86 Ca -0.07 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1og0 h GLU 86 Cb 1.52 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.80 1og0 h GLU 86 CO 0.16 0.54 0.39 -0.92 -0.73 0.00 0.00 179.01 178.46 1og0 h TYR 87 N 0.30 0.74 -0.55 0.92 5.03 -1.33 -2.21 116.97 119.87 1og0 h TYR 87 Ca 0.09 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.47 1og0 h TYR 87 Cb 0.29 -0.25 -0.05 0.00 1.55 0.00 0.00 36.73 38.27 1og0 h TYR 87 CO 0.01 0.45 0.27 0.00 -1.32 0.00 0.00 178.16 177.57 1og0 h ALA 88 N 1.23 0.71 -0.40 1.82 0.00 -0.85 0.45 119.26 122.22 1og0 h ALA 88 Ca 0.23 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1og0 h ALA 88 Cb -0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1og0 h ALA 88 CO -0.07 -0.09 0.21 -0.07 0.00 0.00 0.00 179.25 179.24 1og0 h LEU 89 N 0.51 0.32 0.08 0.00 -0.00 -0.83 0.32 115.31 115.71 1og0 h LEU 89 Ca 0.25 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 58.14 1og0 h LEU 89 Cb 0.18 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 1og0 h LEU 89 CO -0.19 0.23 -0.04 0.03 -0.00 0.00 0.00 178.44 178.47 1og0 h ARG 90 N 0.43 -0.10 -0.15 1.13 3.08 -0.81 -1.81 114.38 116.15 1og0 h ARG 90 Ca 0.17 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 1og0 h ARG 90 Cb 0.06 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1og0 h ARG 90 CO -0.11 -0.05 -0.04 1.25 -1.07 0.00 0.00 179.97 179.96 1og0 h LEU 91 N -0.13 0.20 -0.72 3.04 5.85 -0.60 -1.68 115.31 121.28 1og0 h LEU 91 Ca -0.01 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.56 1og0 h LEU 91 Cb 0.10 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1og0 h LEU 91 CO 0.02 0.28 -0.29 0.50 -0.34 0.00 0.00 178.44 178.60 1og0 h LYS 92 N 0.22 0.66 -0.15 1.25 1.63 0.03 0.32 116.57 120.53 1og0 h LYS 92 Ca 0.05 -0.29 -0.18 0.00 -0.85 0.00 0.00 60.65 59.39 1og0 h LYS 92 Cb 0.22 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1og0 h LYS 92 CO 0.01 0.88 -0.64 0.87 -3.45 0.00 0.00 179.45 177.12 1og0 h LYS 93 N 0.57 0.56 -0.06 1.90 1.79 -0.62 -1.02 116.57 119.69 1og0 h LYS 93 Ca 0.07 -0.40 -0.24 0.00 -2.18 0.00 0.00 60.65 57.90 1og0 h LYS 93 Cb 0.79 0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.51 1og0 h LYS 93 CO 0.06 1.02 -0.91 1.25 -1.08 0.00 0.00 179.45 179.80 1og0 h LEU 94 N 0.41 0.79 -1.25 2.94 5.85 -1.15 -2.97 115.31 119.94 1og0 h LEU 94 Ca -0.01 -0.59 0.02 0.00 0.84 0.00 0.00 57.88 58.14 1og0 h LEU 94 Cb 1.21 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 1og0 h LEU 94 CO 0.12 1.38 0.51 -1.28 -0.34 0.00 0.00 178.44 178.83 1og0 h SER 95 N 0.39 0.86 -0.52 1.25 0.87 -0.26 -1.30 113.55 114.84 1og0 h SER 95 Ca -0.08 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.43 1og0 h SER 95 Cb 1.54 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 63.27 1og0 h SER 95 CO 0.17 0.61 0.24 0.44 -0.53 0.00 0.00 176.83 177.76 1og0 h ASP 96 N 1.01 0.73 0.41 6.23 3.32 -1.03 -2.11 116.42 124.97 1og0 h ASP 96 Ca 0.30 -0.08 -0.27 0.00 0.02 0.00 0.00 57.03 56.99 1og0 h ASP 96 Cb -0.04 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.33 1og0 h ASP 96 CO -0.08 0.64 -1.18 -0.08 -1.72 0.00 0.00 179.24 176.83 1og0 h GLU 97 N 0.80 0.41 -0.55 3.56 4.81 -1.14 -3.30 114.58 119.17 1og0 h GLU 97 Ca 0.19 -0.57 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1og0 h GLU 97 Cb 0.13 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1og0 h GLU 97 CO -0.02 1.24 0.00 1.28 -0.73 0.00 0.00 179.01 180.78 1og0 n LEU 98 N -3.66 5.43 0.28 1.64 4.77 -0.72 -4.51 117.00 120.23 1og0 n LEU 98 Ca -0.10 -2.89 0.19 0.00 -0.03 0.00 0.00 56.01 53.18 1og0 n LEU 98 Cb 0.97 -0.66 1.01 0.00 -2.33 0.00 0.00 43.42 42.41 1og0 n LEU 98 CO 0.55 0.66 1.07 0.07 -1.33 0.00 0.00 177.39 178.40 1og0 h LYS 99 N 3.76 0.00 0.00 3.23 2.10 -1.47 0.36 116.57 124.55 1og0 h LYS 99 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1og0 h LYS 99 Cb 1.86 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.19 1og0 h LYS 99 CO 0.43 0.00 -0.31 0.78 -2.00 0.00 0.00 179.45 178.36 1og0 h GLY 100 N 0.07 0.00 0.00 0.07 0.00 -1.88 -3.39 103.07 97.94 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 -0.96 1.22 0.00 0.00 0.00 176.54 176.80 1og0 n ASP 101 N -2.52 4.57 -4.11 0.19 10.43 -0.55 -4.88 116.55 119.69 1og0 n ASP 101 Ca 0.04 0.00 -0.23 0.00 2.57 0.00 0.00 54.79 57.16 1og0 n ASP 101 Cb 0.48 0.37 -0.15 0.00 1.84 0.00 0.00 41.12 43.65 1og0 n ASP 101 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1og0 s LEU 102 N -4.12 1.96 -0.39 0.64 1.43 0.12 -1.49 118.68 116.83 1og0 s LEU 102 Ca 0.00 -0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 52.72 1og0 s LEU 102 Cb 0.00 -0.78 0.04 0.00 0.03 0.00 0.00 46.19 45.48 1og0 s LEU 102 CO 0.00 0.16 0.22 -0.55 0.23 0.00 0.00 176.35 176.41 1og0 s SER 103 N -0.17 5.71 -0.13 2.29 0.15 -0.65 -4.06 113.70 116.83 1og0 s SER 103 Ca 0.02 -1.15 -0.14 0.00 0.70 0.00 0.00 55.95 55.39 1og0 s SER 103 Cb -0.08 -2.01 -0.05 0.00 -1.71 0.00 0.00 66.02 62.17 1og0 s SER 103 CO 0.00 -0.43 0.31 -0.63 1.20 0.00 0.00 173.24 173.69 1og0 s ILE 104 N 1.52 5.27 -0.06 6.45 1.01 -1.26 -0.45 121.20 133.68 1og0 s ILE 104 Ca 0.02 0.59 0.03 0.00 0.00 0.00 0.00 60.65 61.29 1og0 s ILE 104 Cb -0.20 -3.64 0.01 0.00 0.01 0.00 0.00 42.46 38.64 1og0 s ILE 104 CO 0.05 0.43 -0.15 -0.63 0.00 0.00 0.00 174.94 174.64 1og0 s ILE 105 N 0.13 1.32 0.18 2.92 1.01 0.47 -4.48 121.20 122.75 1og0 s ILE 105 Ca 0.18 -0.62 -0.26 0.00 0.00 0.00 0.00 60.65 59.96 1og0 s ILE 105 Cb -0.14 -1.17 -0.08 0.00 0.01 0.00 0.00 42.46 41.08 1og0 s ILE 105 CO 0.06 0.39 0.80 -0.32 0.00 0.00 0.00 174.94 175.87 1og0 s MET 106 N 0.38 4.59 -0.23 2.79 -2.45 -0.73 -1.34 119.30 122.32 1og0 s MET 106 Ca -0.11 1.19 -0.29 0.00 -1.25 0.00 0.00 55.69 55.24 1og0 s MET 106 Cb -0.14 -3.23 -0.01 0.00 1.25 0.00 0.00 34.83 32.70 1og0 s MET 106 CO 0.04 0.55 1.30 1.03 1.05 0.00 0.00 175.02 178.99 1og0 s ARG 107 N -1.23 4.05 -0.41 4.11 0.52 0.34 -0.91 118.95 125.42 1og0 s ARG 107 Ca 0.37 1.46 0.11 0.00 -0.52 0.00 0.00 55.73 57.16 1og0 s ARG 107 Cb -0.23 -3.84 0.40 0.00 0.52 0.00 0.00 34.95 31.81 1og0 s ARG 107 CO 0.27 -0.94 0.94 0.00 0.02 0.00 0.00 175.30 175.59 1og0 n ALA 108 N 7.21 3.76 -1.77 2.13 0.00 -0.40 -3.87 120.51 127.57 1og0 n ALA 108 Ca 0.15 -3.79 -0.38 0.00 0.00 0.00 0.00 53.44 49.42 1og0 n ALA 108 Cb 0.46 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 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 -3.14 3.02 -0.20 0.00 1.51 -1.26 -4.67 117.35 112.62 1og0 s TYR 109 Ca 0.39 1.55 -0.02 0.00 -1.01 0.00 0.00 57.07 57.99 1og0 s TYR 109 Cb 0.39 -3.37 0.00 0.00 -0.11 0.00 0.00 41.96 38.87 1og0 s TYR 109 CO -0.08 -1.33 -0.11 -0.51 -1.11 0.00 0.00 175.55 172.41 1og0 s LEU 110 N -2.67 2.60 0.00 -1.29 2.01 -1.26 -2.36 118.68 115.71 1og0 s LEU 110 Ca 0.59 -0.48 0.00 0.00 0.01 0.00 0.00 54.13 54.25 1og0 s LEU 110 Cb -0.29 -1.63 0.00 0.00 0.01 0.00 0.00 46.19 44.27 1og0 s LEU 110 CO 0.37 0.00 0.00 1.87 1.01 0.00 0.00 176.35 179.60 1og0 n TRP 119 N 4.61 0.00 -0.11 0.29 -0.00 -1.26 -4.73 117.44 116.25 1og0 n TRP 119 Ca -0.19 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.17 1og0 n TRP 119 Cb 0.51 -0.14 -0.12 0.00 -0.00 0.00 0.00 31.31 31.56 1og0 n TRP 119 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1og0 n LYS 120 N -1.51 0.72 0.00 5.87 2.85 -1.26 -5.11 118.16 119.72 1og0 n LYS 120 Ca 0.00 0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 1og0 n LYS 120 Cb 0.00 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 32.90 1og0 n LYS 120 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1og0 n GLY 121 N 2.19 4.21 0.47 2.58 0.00 -1.26 -4.78 105.19 108.60 1og0 n GLY 121 Ca -0.38 -1.52 0.25 0.00 0.00 0.00 0.00 46.02 44.37 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 0.00 0.10 0.99 5.85 -1.81 -0.05 115.31 120.38 1og0 h LEU 122 Ca 0.00 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.48 1og0 h LEU 122 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1og0 h LEU 122 CO 0.00 0.00 -1.19 0.40 -0.34 0.00 0.00 178.44 177.31 1og0 h ILE 123 N 0.00 1.17 0.02 4.05 2.04 -1.89 -3.02 117.51 119.88 1og0 h ILE 123 Ca 0.37 -2.40 -0.11 0.00 1.00 0.00 0.00 64.86 63.71 1og0 h ILE 123 Cb 2.18 2.81 0.01 0.00 -0.74 0.00 0.00 36.82 41.08 1og0 h ILE 123 CO -0.00 0.67 -0.46 0.78 0.00 0.00 0.00 178.15 179.14 1og0 h ASN 124 N -0.42 0.37 -2.10 1.72 4.21 -1.48 -3.33 115.58 114.54 1og0 h ASN 124 Ca -0.26 -0.80 -0.58 0.00 1.21 0.00 0.00 56.30 55.87 1og0 h ASN 124 Cb 1.65 -0.12 -0.41 0.00 -1.12 0.00 0.00 38.32 38.33 1og0 h ASN 124 CO 0.05 1.13 -0.83 -0.67 -1.29 0.00 0.00 177.43 175.82 1og0 n ASP 125 N -4.34 2.14 0.11 5.81 4.64 -0.17 -2.27 116.55 122.47 1og0 n ASP 125 Ca -0.10 -3.11 0.19 0.00 -1.38 0.00 0.00 54.79 50.39 1og0 n ASP 125 Cb 0.61 -0.66 0.76 0.00 -1.04 0.00 0.00 41.12 40.80 1og0 n ASP 125 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1og0 h PRO 126 N 4.09 0.00 0.00 -0.67 0.13 -1.66 0.11 132.00 134.00 1og0 h PRO 126 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1og0 h PRO 126 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1og0 h PRO 126 CO 0.67 0.00 -1.16 -0.25 -0.23 0.00 0.00 178.00 177.03 1og0 n ASP 127 N -3.88 0.59 -2.69 1.44 8.00 -1.26 -4.97 116.55 113.78 1og0 n ASP 127 Ca 0.06 -0.31 -0.03 0.00 0.71 0.00 0.00 54.79 55.22 1og0 n ASP 127 Cb 0.51 1.00 0.02 0.00 -0.02 0.00 0.00 41.12 42.63 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 -1.93 -7.50 -1.83 2.53 0.31 0.02 -4.77 118.33 105.16 1og0 n VAL 128 Ca 0.01 -0.43 -0.05 0.00 -0.01 0.00 0.00 64.34 63.86 1og0 n VAL 128 Cb 0.44 -5.88 -0.05 0.00 -0.91 0.00 0.00 33.84 27.44 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 -1.94 -0.66 -3.82 4.52 0.23 -1.26 -4.55 115.26 107.78 1og0 n ASN 129 Ca -0.02 -1.32 -0.27 0.00 -0.53 0.00 0.00 54.58 52.44 1og0 n ASN 129 Cb 0.53 0.20 0.01 0.00 -2.08 0.00 0.00 39.78 38.44 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 -2.32 -0.09 0.53 3.02 -1.26 -4.87 115.26 110.27 1og0 n ASN 130 Ca -0.18 -0.99 0.02 0.00 -0.03 0.00 0.00 54.58 53.40 1og0 n ASN 130 Cb 0.55 -3.30 0.03 0.00 -0.61 0.00 0.00 39.78 36.45 1og0 n ASN 130 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1og0 n THR 131 N -4.31 0.80 -0.30 3.41 -2.24 -1.26 -5.07 114.28 105.31 1og0 n THR 131 Ca -0.23 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 60.66 1og0 n THR 131 Cb 0.65 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 1og0 n THR 131 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1og0 n PHE 132 N -0.51 0.00 -3.67 4.78 3.01 -1.25 -4.86 117.46 114.95 1og0 n PHE 132 Ca 0.04 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.21 1og0 n PHE 132 Cb 0.47 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.84 1og0 n PHE 132 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1og0 n ASN 133 N 0.91 3.52 -0.10 4.37 5.15 -0.96 -4.96 115.26 123.19 1og0 n ASN 133 Ca 0.00 -3.30 -0.06 0.00 -0.60 0.00 0.00 54.58 50.62 1og0 n ASN 133 Cb 0.00 -0.77 0.00 0.00 -0.53 0.00 0.00 39.78 38.48 1og0 n ASN 133 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1og0 h ILE 134 N 3.87 0.65 -0.73 -1.44 5.03 -1.74 0.17 117.51 123.33 1og0 h ILE 134 Ca 0.17 0.00 0.16 0.00 -0.12 0.00 0.00 64.86 65.07 1og0 h ILE 134 Cb 0.72 0.65 -0.11 0.00 -3.03 0.00 0.00 36.82 35.05 1og0 h ILE 134 CO 0.79 0.00 0.16 0.78 -0.68 0.00 0.00 178.15 179.20 1og0 h ASN 135 N -0.00 -0.02 0.16 1.72 2.35 -1.92 0.77 115.58 118.64 1og0 h ASN 135 Ca 0.17 0.15 -0.15 0.00 -0.55 0.00 0.00 56.30 55.92 1og0 h ASN 135 Cb 0.25 0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1og0 h ASN 135 CO -0.36 -0.05 -0.55 0.50 -1.65 0.00 0.00 177.43 175.33 1og0 h LYS 136 N 0.25 0.41 -0.40 0.81 3.64 -1.73 -2.53 116.57 117.01 1og0 h LYS 136 Ca 0.41 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1og0 h LYS 136 Cb 0.71 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 1og0 h LYS 136 CO -0.52 0.85 0.24 0.78 -2.27 0.00 0.00 179.45 178.53 1og0 h GLY 137 N 1.22 0.58 1.67 5.01 0.00 0.29 0.50 103.07 112.35 1og0 h GLY 137 Ca 0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 1og0 h GLY 137 CO 0.09 0.23 -0.11 1.41 0.00 0.00 0.00 176.54 178.17 1og0 h LEU 138 N 0.53 0.38 -0.08 3.11 3.38 0.31 0.20 115.31 123.15 1og0 h LEU 138 Ca 0.14 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1og0 h LEU 138 Cb -0.00 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1og0 h LEU 138 CO -0.03 0.53 -0.00 1.56 0.09 0.00 0.00 178.44 180.59 1og0 h GLN 139 N 0.38 0.14 -0.01 1.13 4.20 -0.94 -0.51 115.11 119.49 1og0 h GLN 139 Ca 0.08 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1og0 h GLN 139 Cb 0.42 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1og0 h GLN 139 CO 0.02 0.41 0.00 0.77 -0.67 0.00 0.00 178.83 179.37 1og0 h SER 140 N -0.15 -0.00 -0.17 1.46 0.02 -0.58 0.18 113.55 114.31 1og0 h SER 140 Ca 0.02 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1og0 h SER 140 Cb 0.35 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.83 1og0 h SER 140 CO 0.00 0.00 -0.40 0.00 -1.14 0.00 0.00 176.83 175.29 1og0 h ALA 141 N 1.01 -0.53 -0.43 3.77 0.00 -0.54 0.20 119.26 122.75 1og0 h ALA 141 Ca 0.01 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1og0 h ALA 141 Cb 0.01 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1og0 h ALA 141 CO -0.01 -0.89 -0.05 -0.09 0.00 0.00 0.00 179.25 178.21 1og0 h ARG 142 N -0.45 0.74 -0.40 0.00 2.43 -0.85 -1.35 114.38 114.49 1og0 h ARG 142 Ca 0.09 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 1og0 h ARG 142 Cb 0.61 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1og0 h ARG 142 CO -0.41 0.79 0.17 0.37 -1.51 0.00 0.00 179.97 179.37 1og0 h GLN 143 N 0.68 0.59 0.27 0.20 5.75 -0.09 -1.09 115.11 121.42 1og0 h GLN 143 Ca 0.13 -0.10 0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1og0 h GLN 143 Cb 0.50 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.92 1og0 h GLN 143 CO 0.03 0.55 -0.35 1.25 -2.65 0.00 0.00 178.83 177.65 1og0 h LEU 144 N 0.50 -0.97 -1.15 -2.39 5.85 -0.29 0.29 115.31 117.15 1og0 h LEU 144 Ca 0.13 0.09 0.13 0.00 0.84 0.00 0.00 57.88 59.07 1og0 h LEU 144 Cb 0.17 0.34 -0.08 0.00 0.37 0.00 0.00 40.66 41.47 1og0 h LEU 144 CO -0.01 -0.47 0.60 -0.26 -0.34 0.00 0.00 178.44 177.95 1og0 h PHE 145 N -0.67 0.98 -0.25 1.25 -1.00 -1.12 -0.31 116.94 115.82 1og0 h PHE 145 Ca -0.01 0.03 -0.08 0.00 2.81 0.00 0.00 57.97 60.72 1og0 h PHE 145 Cb 0.64 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.88 1og0 h PHE 145 CO -0.24 0.39 -0.16 0.28 -1.61 0.00 0.00 178.31 176.97 1og0 h VAL 146 N 0.85 1.31 -0.42 -0.55 2.07 -0.41 -1.93 116.25 117.17 1og0 h VAL 146 Ca 0.46 -1.27 0.05 0.00 0.82 0.00 0.00 66.70 66.76 1og0 h VAL 146 Cb 0.57 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1og0 h VAL 146 CO -0.23 0.40 0.18 0.78 0.02 0.00 0.00 177.57 178.72 1og0 h ASN 147 N 0.26 0.22 0.51 0.57 2.35 0.74 -0.03 115.58 120.20 1og0 h ASN 147 Ca 0.05 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1og0 h ASN 147 Cb 0.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.06 1og0 h ASN 147 CO 0.04 0.16 -0.24 -0.07 -1.65 0.00 0.00 177.43 175.67 1og0 h LEU 148 N 0.36 -0.58 -2.36 1.61 3.38 -1.08 -3.09 115.31 113.55 1og0 h LEU 148 Ca 0.19 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.20 1og0 h LEU 148 Cb 0.15 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1og0 h LEU 148 CO -0.17 -0.31 0.20 0.71 0.09 0.00 0.00 178.44 178.96 1og0 h THR 149 N -0.89 0.16 0.00 0.22 1.35 -1.36 -1.01 112.91 111.38 1og0 h THR 149 Ca -0.07 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.72 1og0 h THR 149 Cb 0.52 0.82 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 1og0 h THR 149 CO 0.11 0.00 -0.32 -1.13 -0.25 0.00 0.00 175.52 173.93 1og0 h ASN 150 N 0.00 0.00 -0.40 5.36 -1.24 -0.91 -2.18 115.58 116.21 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 0.43 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.48 1og0 h ASN 150 CO -0.00 0.32 0.00 2.30 -1.29 0.00 0.00 177.43 178.76 1og0 n ILE 151 N -3.92 0.75 -0.63 2.57 -5.35 -0.38 -4.67 119.36 107.73 1og0 n ILE 151 Ca -0.02 -0.60 0.00 0.00 -0.27 0.00 0.00 62.75 61.86 1og0 n ILE 151 Cb 0.39 0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.44 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 1.01 0.66 3.39 3.28 0.00 -0.82 -5.05 105.19 107.65 1og0 n GLY 152 Ca 0.14 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 4.33 0.91 0.99 2.96 -1.24 -4.97 118.68 121.67 1og0 s LEU 153 Ca 0.00 -0.79 -0.10 0.00 -0.22 0.00 0.00 54.13 53.02 1og0 s LEU 153 Cb 0.00 -1.98 0.14 0.00 0.50 0.00 0.00 46.19 44.85 1og0 s LEU 153 CO 0.00 -0.28 1.13 -2.84 -1.32 0.00 0.00 176.35 173.04 1og0 s PRO 154 N 1.56 1.07 0.09 0.98 0.02 -1.26 -3.52 135.00 133.93 1og0 s PRO 154 Ca 0.03 1.43 0.02 0.00 0.02 0.00 0.00 61.00 62.50 1og0 s PRO 154 Cb -0.18 -1.74 -0.04 0.00 0.02 0.00 0.00 34.50 32.56 1og0 s PRO 154 CO 0.06 -2.56 -0.07 0.96 -0.33 0.00 0.00 177.00 175.06 1og0 s ILE 155 N -2.68 0.69 0.09 2.83 -4.36 -1.26 -1.76 121.20 114.74 1og0 s ILE 155 Ca 0.66 -1.72 0.04 0.00 -0.26 0.00 0.00 60.65 59.37 1og0 s ILE 155 Cb -0.22 -1.41 -0.03 0.00 1.25 0.00 0.00 42.46 42.04 1og0 s ILE 155 CO 0.58 -0.73 -0.11 -0.83 0.24 0.00 0.00 174.94 174.09 1og0 s GLY 156 N -2.66 0.83 0.22 6.27 0.00 -0.09 -1.08 107.32 110.82 1og0 s GLY 156 Ca 0.06 -1.14 -0.14 0.00 0.00 0.00 0.00 44.72 43.50 1og0 s GLY 156 CO -0.03 -1.21 0.49 -0.45 0.00 0.00 0.00 173.10 171.90 1og0 s SER 157 N -2.31 -0.14 0.04 1.64 0.15 -0.77 -1.27 113.70 111.04 1og0 s SER 157 Ca 0.04 -0.75 -0.22 0.00 0.70 0.00 0.00 55.95 55.71 1og0 s SER 157 Cb -0.04 0.57 -0.06 0.00 -1.71 0.00 0.00 66.02 64.78 1og0 s SER 157 CO 0.00 -1.10 0.66 -0.70 1.20 0.00 0.00 173.24 173.31 1og0 s GLU 158 N -3.96 4.38 -1.18 5.44 2.12 -1.26 -1.55 118.70 122.69 1og0 s GLU 158 Ca 0.16 0.88 -0.17 0.00 0.36 0.00 0.00 54.97 56.20 1og0 s GLU 158 Cb -0.01 -3.32 0.11 0.00 0.26 0.00 0.00 34.13 31.17 1og0 s GLU 158 CO 0.04 0.42 1.51 -1.64 -0.54 0.00 0.00 175.26 175.05 1og0 s MET 159 N -0.44 3.92 0.00 4.30 -1.94 -0.51 -4.86 119.30 119.78 1og0 s MET 159 Ca 0.33 -2.06 0.00 0.00 -1.71 0.00 0.00 55.69 52.26 1og0 s MET 159 Cb -0.20 -5.27 0.00 0.00 2.01 0.00 0.00 34.83 31.38 1og0 s MET 159 CO 0.20 -2.02 0.47 1.28 -0.01 0.00 0.00 175.02 174.94 1og0 n LEU 160 N 7.26 0.00 -4.88 -0.03 4.77 -1.26 -4.90 117.00 117.96 1og0 n LEU 160 Ca 0.39 0.47 -0.28 0.00 -0.03 0.00 0.00 56.01 56.55 1og0 n LEU 160 Cb 0.46 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1og0 n LEU 160 CO 0.67 0.00 -0.02 1.51 -1.33 0.00 0.00 177.39 178.22 1og0 s ASP 161 N -2.44 4.50 0.00 -1.43 3.84 -1.26 -5.04 116.67 114.84 1og0 s ASP 161 Ca 0.00 -1.39 0.30 0.00 -0.00 0.00 0.00 52.55 51.46 1og0 s ASP 161 Cb 0.00 0.54 1.50 0.00 -1.38 0.00 0.00 42.92 43.58 1og0 s ASP 161 CO 0.00 -1.09 2.02 0.35 -0.00 0.00 0.00 175.17 176.45 1og0 n THR 162 N -1.67 0.00 -0.06 2.11 -2.24 -1.26 -4.24 114.28 106.92 1og0 n THR 162 Ca -0.07 -0.04 -0.12 0.00 -2.27 0.00 0.00 64.05 61.55 1og0 n THR 162 Cb 0.65 -0.29 -0.05 0.00 -2.10 0.00 0.00 70.33 68.54 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 -0.99 0.69 -0.35 2.28 5.41 -1.26 -4.71 119.36 120.42 1og0 n ILE 163 Ca 0.17 -0.20 0.03 0.00 1.00 0.00 0.00 62.75 63.76 1og0 n ILE 163 Cb 0.22 -1.46 0.10 0.00 -0.71 0.00 0.00 39.64 37.80 1og0 n ILE 163 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1og0 n SER 164 N -3.36 -0.44 -0.35 4.38 2.88 -1.26 -1.04 113.62 114.44 1og0 n SER 164 Ca -0.24 1.65 0.14 0.00 -1.33 0.00 0.00 58.87 59.09 1og0 n SER 164 Cb 0.69 -0.46 0.34 0.00 -0.75 0.00 0.00 64.21 64.04 1og0 n SER 164 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1og0 h PRO 165 N 0.00 0.70 -0.29 -1.46 0.11 -1.86 0.05 132.00 129.25 1og0 h PRO 165 Ca 0.41 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 66.57 1og0 h PRO 165 Cb 0.65 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 1og0 h PRO 165 CO -0.97 0.46 0.54 0.37 -0.21 0.00 0.00 178.00 178.19 1og0 h GLN 166 N 0.72 0.00 -0.01 1.05 5.75 -1.40 0.99 115.11 122.21 1og0 h GLN 166 Ca 0.58 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.08 1og0 h GLN 166 Cb 0.97 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.52 1og0 h GLN 166 CO -0.38 0.00 -0.50 0.66 -2.65 0.00 0.00 178.83 175.96 1og0 n TYR 167 N -3.25 0.00 -0.01 3.99 4.02 0.00 -4.60 117.16 117.32 1og0 n TYR 167 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 1og0 n TYR 167 Cb 0.66 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 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 -0.97 0.00 -0.28 7.72 4.77 0.28 -4.88 117.00 123.64 1og0 n LEU 168 Ca 0.08 -0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.14 1og0 n LEU 168 Cb 0.36 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.64 1og0 n LEU 168 CO 0.32 0.00 0.82 0.00 -1.33 0.00 0.00 177.39 177.21 1og0 h ALA 169 N 0.00 0.90 0.00 -1.18 0.00 0.01 0.13 119.26 119.12 1og0 h ALA 169 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1og0 h ALA 169 Cb 0.01 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1og0 h ALA 169 CO 0.00 -0.45 0.11 -0.40 0.00 0.00 0.00 179.25 178.51 1og0 n ASP 170 N -5.37 0.09 -0.02 0.00 5.75 -1.26 -1.43 116.55 114.31 1og0 n ASP 170 Ca 0.16 0.45 0.03 0.00 -0.01 0.00 0.00 54.79 55.42 1og0 n ASP 170 Cb 0.55 -0.45 -0.03 0.00 -1.03 0.00 0.00 41.12 40.15 1og0 n ASP 170 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1og0 n LEU 171 N -1.55 0.39 -4.79 -2.12 4.77 0.03 -4.78 117.00 108.94 1og0 n LEU 171 Ca -0.00 -0.54 -0.39 0.00 -0.03 0.00 0.00 56.01 55.05 1og0 n LEU 171 Cb 0.12 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1og0 n LEU 171 CO 0.02 0.09 0.27 -0.69 -1.33 0.00 0.00 177.39 175.75 1og0 s VAL 172 N -1.49 4.84 -0.06 4.08 1.01 -0.51 -4.56 120.40 123.70 1og0 s VAL 172 Ca 0.03 1.21 0.15 0.00 0.00 0.00 0.00 61.98 63.37 1og0 s VAL 172 Cb 0.05 -3.91 -0.23 0.00 0.00 0.00 0.00 36.38 32.29 1og0 s VAL 172 CO 0.23 0.49 0.25 -1.20 0.00 0.00 0.00 175.10 174.87 1og0 n SER 173 N 2.24 1.35 -3.78 3.32 7.64 -0.24 -4.90 113.62 119.26 1og0 n SER 173 Ca -0.09 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.67 1og0 n SER 173 Cb 0.51 1.45 -0.11 0.00 -1.01 0.00 0.00 64.21 65.05 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 -2.87 -0.31 -0.03 1.43 5.36 -1.17 -4.17 117.98 116.23 1og0 s PHE 174 Ca -0.06 0.75 0.04 0.00 -0.96 0.00 0.00 56.93 56.69 1og0 s PHE 174 Cb 0.08 0.10 -0.00 0.00 -0.34 0.00 0.00 43.02 42.87 1og0 s PHE 174 CO 0.65 -0.15 -0.13 0.20 -1.46 0.00 0.00 175.22 174.32 1og0 s GLY 175 N 0.16 0.72 -0.00 13.12 0.00 -0.66 -1.85 107.32 118.81 1og0 s GLY 175 Ca -0.00 -0.53 0.06 0.00 0.00 0.00 0.00 44.72 44.26 1og0 s GLY 175 CO 0.00 -0.26 -0.19 0.00 0.00 0.00 0.00 173.10 172.65 1og0 s ALA 176 N 0.06 2.48 -0.19 3.20 0.00 -0.59 -0.77 121.76 125.95 1og0 s ALA 176 Ca -0.02 -1.11 -0.06 0.00 0.00 0.00 0.00 51.96 50.77 1og0 s ALA 176 Cb -0.09 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 1og0 s ALA 176 CO 0.01 0.55 0.04 0.42 0.00 0.00 0.00 175.76 176.78 1og0 s ILE 177 N -0.77 4.43 0.74 0.00 -1.09 0.57 -1.42 121.20 123.66 1og0 s ILE 177 Ca 0.12 -0.16 -0.11 0.00 -2.23 0.00 0.00 60.65 58.27 1og0 s ILE 177 Cb -0.10 -3.00 0.03 0.00 -1.58 0.00 0.00 42.46 37.81 1og0 s ILE 177 CO 0.02 0.44 1.10 -0.83 -1.23 0.00 0.00 174.94 174.43 1og0 s GLY 178 N 0.68 1.63 0.27 6.18 0.00 -1.26 -2.32 107.32 112.50 1og0 s GLY 178 Ca 0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 44.72 44.45 1og0 s GLY 178 CO 0.02 0.11 1.67 0.00 0.00 0.00 0.00 173.10 174.90 1og0 h ALA 179 N -0.82 1.18 0.00 3.20 0.00 -1.81 0.33 119.26 121.35 1og0 h ALA 179 Ca -0.46 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1og0 h ALA 179 Cb 1.26 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1og0 h ALA 179 CO 0.62 -0.38 0.00 0.54 0.00 0.00 0.00 179.25 180.02 1og0 n ARG 180 N -5.16 0.02 -0.00 0.00 1.74 -1.26 -3.56 116.66 108.43 1og0 n ARG 180 Ca 0.19 0.28 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 1og0 n ARG 180 Cb 0.59 -1.53 -0.00 0.00 -1.02 0.00 0.00 32.46 30.49 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 -1.56 0.00 -0.31 0.55 -2.24 0.03 -4.74 114.28 106.01 1og0 n THR 181 Ca 0.03 -0.46 0.35 0.00 -2.27 0.00 0.00 64.05 61.70 1og0 n THR 181 Cb 0.16 0.96 0.75 0.00 -2.10 0.00 0.00 70.33 70.11 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 0.00 0.41 0.00 4.28 2.02 -1.39 0.46 112.91 118.69 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 0.00 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1og0 h THR 182 CO 0.00 0.00 -0.48 -0.62 0.37 0.00 0.00 175.52 174.79 1og0 n GLU 183 N -4.17 0.17 -2.00 6.66 1.02 -1.26 -4.67 120.64 116.41 1og0 n GLU 183 Ca 0.25 0.06 -0.43 0.00 -0.02 0.00 0.00 57.16 57.02 1og0 n GLU 183 Cb 1.22 -1.62 -0.03 0.00 -0.02 0.00 0.00 31.44 31.00 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 -3.76 6.25 0.25 1.62 0.15 0.16 -4.88 113.70 113.49 1og0 s SER 184 Ca 0.09 1.75 -0.03 0.00 0.70 0.00 0.00 55.95 58.47 1og0 s SER 184 Cb 0.15 -2.53 0.50 0.00 -1.71 0.00 0.00 66.02 62.43 1og0 s SER 184 CO 0.69 -1.35 1.74 -0.61 1.20 0.00 0.00 173.24 174.91 1og0 h GLN 185 N 11.36 0.48 -0.78 5.44 5.75 -1.89 -0.32 115.11 135.14 1og0 h GLN 185 Ca -0.36 -0.03 0.10 0.00 -0.15 0.00 0.00 58.65 58.21 1og0 h GLN 185 Cb 1.17 -0.11 -0.07 0.00 1.07 0.00 0.00 27.48 29.54 1og0 h GLN 185 CO 0.99 0.32 0.42 1.25 -2.65 0.00 0.00 178.83 179.16 1og0 h LEU 186 N 0.49 0.57 -0.11 -2.39 5.85 -1.94 -0.90 115.31 116.88 1og0 h LEU 186 Ca 0.44 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.22 1og0 h LEU 186 Cb 0.67 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1og0 h LEU 186 CO -0.40 0.32 0.00 0.45 -0.34 0.00 0.00 178.44 178.46 1og0 h HIS 187 N 0.69 0.00 0.10 1.25 3.86 -1.38 -2.25 115.15 117.43 1og0 h HIS 187 Ca 0.39 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 59.33 1og0 h HIS 187 Cb 0.40 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.89 1og0 h HIS 187 CO -0.08 0.00 -1.10 0.00 0.86 0.00 0.00 177.93 177.61 1og0 h ARG 188 N 0.00 0.57 -0.67 2.45 3.08 -0.36 -2.30 114.38 117.15 1og0 h ARG 188 Ca 0.00 -0.74 -0.07 0.00 0.07 0.00 0.00 59.98 59.24 1og0 h ARG 188 Cb 0.91 0.24 -0.03 0.00 0.08 0.00 0.00 29.97 31.17 1og0 h ARG 188 CO 0.00 1.33 0.15 0.93 -1.07 0.00 0.00 179.97 181.31 1og0 h GLU 189 N 0.15 1.08 -0.72 0.04 5.08 -1.19 -2.24 114.58 116.78 1og0 h GLU 189 Ca -0.17 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 57.90 1og0 h GLU 189 Cb 1.79 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.87 1og0 h GLU 189 CO 0.21 0.97 0.35 1.25 -1.00 0.00 0.00 179.01 180.79 1og0 h LEU 190 N 1.01 0.94 -1.10 1.33 5.85 -1.41 -2.60 115.31 119.33 1og0 h LEU 190 Ca 0.21 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1og0 h LEU 190 Cb 0.39 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1og0 h LEU 190 CO 0.00 0.81 -0.04 0.00 -0.34 0.00 0.00 178.44 178.87 1og0 h ALA 191 N 1.17 1.26 0.00 1.25 0.00 -1.17 -2.40 119.26 119.37 1og0 h ALA 191 Ca 0.25 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1og0 h ALA 191 Cb 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1og0 h ALA 191 CO -0.03 0.49 0.00 -1.13 0.00 0.00 0.00 179.25 178.58 1og0 n SER 192 N -4.24 0.00 -0.03 0.00 3.41 -0.86 -2.37 113.62 109.53 1og0 n SER 192 Ca 0.02 0.14 0.01 0.00 -0.26 0.00 0.00 58.87 58.77 1og0 n SER 192 Cb 0.28 -0.27 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 -0.53 1.18 3.85 5.00 0.00 -0.91 -1.58 105.19 112.19 1og0 n GLY 193 Ca 0.04 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 4.16 -0.16 0.99 1.43 -1.00 -4.97 118.68 118.33 1og0 s LEU 194 Ca 0.03 1.24 0.01 0.00 -1.03 0.00 0.00 54.13 54.37 1og0 s LEU 194 Cb 0.02 -3.86 0.22 0.00 0.03 0.00 0.00 46.19 42.61 1og0 s LEU 194 CO 0.00 -0.11 1.39 -1.20 0.23 0.00 0.00 176.35 176.66 1og0 n SER 195 N -0.02 3.57 -3.81 2.29 7.64 -1.26 -4.88 113.62 117.15 1og0 n SER 195 Ca 0.01 -2.59 -0.07 0.00 1.01 0.00 0.00 58.87 57.24 1og0 n SER 195 Cb 0.52 -0.67 -0.02 0.00 -1.01 0.00 0.00 64.21 63.04 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 -1.15 -0.20 0.35 1.43 -0.12 -1.26 -5.05 117.98 111.98 1og0 s PHE 196 Ca 0.20 -0.21 -0.28 0.00 -0.05 0.00 0.00 56.93 56.58 1og0 s PHE 196 Cb 0.16 0.69 -0.10 0.00 -0.63 0.00 0.00 43.02 43.14 1og0 s PHE 196 CO 0.03 -1.13 1.36 -2.14 -0.05 0.00 0.00 175.22 173.30 1og0 s PRO 197 N -3.78 4.27 -0.10 1.99 0.02 -1.26 -4.83 135.00 131.31 1og0 s PRO 197 Ca 0.11 2.33 0.04 0.00 0.02 0.00 0.00 61.00 63.49 1og0 s PRO 197 Cb -0.05 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.44 1og0 s PRO 197 CO 0.05 -0.30 -0.23 0.08 -0.33 0.00 0.00 177.00 176.27 1og0 s VAL 198 N -1.14 1.97 -0.23 3.83 1.01 -0.75 -1.65 120.40 123.45 1og0 s VAL 198 Ca 0.50 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 1og0 s VAL 198 Cb -0.42 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1og0 s VAL 198 CO 0.56 0.54 0.12 -0.83 0.00 0.00 0.00 175.10 175.49 1og0 s GLY 199 N 0.46 1.93 -0.30 4.51 0.00 0.05 -1.75 107.32 112.21 1og0 s GLY 199 Ca -0.16 -0.89 -0.11 0.00 0.00 0.00 0.00 44.72 43.56 1og0 s GLY 199 CO 0.07 0.33 0.19 -1.36 0.00 0.00 0.00 173.10 172.32 1og0 s PHE 200 N 0.98 3.20 0.48 1.90 0.08 -0.19 -0.31 117.98 124.11 1og0 s PHE 200 Ca 0.06 -0.20 -0.21 0.00 0.12 0.00 0.00 56.93 56.71 1og0 s PHE 200 Cb -0.13 -2.39 -0.09 0.00 -0.57 0.00 0.00 43.02 39.84 1og0 s PHE 200 CO 0.03 -0.31 1.03 0.15 -0.10 0.00 0.00 175.22 176.03 1og0 s LYS 201 N 1.70 3.86 0.91 0.44 1.02 -0.98 -1.10 119.74 125.59 1og0 s LYS 201 Ca 0.06 1.36 -0.12 0.00 0.02 0.00 0.00 55.97 57.29 1og0 s LYS 201 Cb -0.17 -2.13 0.14 0.00 -0.52 0.00 0.00 37.83 35.15 1og0 s LYS 201 CO 0.09 -0.38 1.09 0.54 -0.92 0.00 0.00 175.35 175.77 1og0 s ASN 202 N -1.96 3.32 0.84 2.83 4.22 -0.87 -4.57 114.94 118.75 1og0 s ASN 202 Ca 0.66 1.43 -0.13 0.00 -2.14 0.00 0.00 52.86 52.68 1og0 s ASN 202 Cb -0.16 -2.11 0.05 0.00 1.28 0.00 0.00 41.25 40.31 1og0 s ASN 202 CO 0.20 -2.73 0.80 0.61 -2.04 0.00 0.00 177.10 173.94 1og0 n GLY 203 N -1.13 -1.01 0.05 0.45 0.00 -0.38 -4.53 105.19 98.64 1og0 n GLY 203 Ca 0.07 -0.57 0.08 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.28 1.03 0.57 2.61 -2.24 -1.26 -1.54 114.28 110.17 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 0.51 -1.13 0.19 0.00 -2.10 0.00 0.00 70.33 67.80 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 -1.78 2.41 0.00 3.42 3.85 -1.26 -2.30 116.55 120.89 1og0 n ASP 205 Ca 0.02 -2.03 0.00 0.00 -0.71 0.00 0.00 54.79 52.07 1og0 n ASP 205 Cb 0.17 -0.31 0.00 0.00 -1.35 0.00 0.00 41.12 39.63 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 1.14 1.41 3.89 6.12 0.00 -0.59 -2.63 105.19 114.53 1og0 n GLY 206 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.36 4.91 -0.27 2.61 -4.23 -1.26 -4.82 115.64 109.22 1og0 s THR 207 Ca 0.00 0.29 0.18 0.00 -1.18 0.00 0.00 61.69 60.98 1og0 s THR 207 Cb 0.00 -3.76 -0.25 0.00 1.34 0.00 0.00 72.50 69.82 1og0 s THR 207 CO 0.00 -0.51 0.50 0.18 -0.54 0.00 0.00 174.62 174.25 1og0 n LEU 208 N -1.38 0.25 -0.25 4.79 4.77 -1.26 -1.26 117.00 122.67 1og0 n LEU 208 Ca 0.00 -0.15 0.03 0.00 -0.03 0.00 0.00 56.01 55.86 1og0 n LEU 208 Cb 0.54 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.75 1og0 n LEU 208 CO 0.49 0.06 0.76 0.78 -1.33 0.00 0.00 177.39 178.15 1og0 h ASN 209 N 0.00 -0.54 -0.42 -1.43 4.21 -1.99 -0.02 115.58 115.39 1og0 h ASN 209 Ca 0.00 0.21 -0.02 0.00 1.21 0.00 0.00 56.30 57.70 1og0 h ASN 209 Cb 0.70 0.41 -0.02 0.00 -1.12 0.00 0.00 38.32 38.28 1og0 h ASN 209 CO 0.00 -0.22 0.20 -0.37 -1.29 0.00 0.00 177.43 175.75 1og0 h VAL 210 N 0.04 1.17 -0.03 2.81 -1.51 -1.97 -0.40 116.25 116.37 1og0 h VAL 210 Ca 0.37 -0.52 -0.20 0.00 -1.23 0.00 0.00 66.70 65.13 1og0 h VAL 210 Cb 0.61 0.61 -0.00 0.00 -2.13 0.00 0.00 31.29 30.37 1og0 h VAL 210 CO -0.71 0.20 -0.84 0.00 -1.23 0.00 0.00 177.57 175.00 1og0 h ALA 211 N 1.56 0.51 -0.41 5.19 0.00 -1.32 -1.58 119.26 123.21 1og0 h ALA 211 Ca 0.16 -0.67 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 1og0 h ALA 211 Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1og0 h ALA 211 CO -0.02 0.82 -0.16 0.28 0.00 0.00 0.00 179.25 180.18 1og0 h VAL 212 N 0.21 1.28 -0.36 0.00 2.07 -0.70 -2.08 116.25 116.66 1og0 h VAL 212 Ca -0.05 -1.28 -0.07 0.00 0.82 0.00 0.00 66.70 66.12 1og0 h VAL 212 Cb 1.44 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1og0 h VAL 212 CO 0.14 0.43 -0.06 0.44 0.02 0.00 0.00 177.57 178.54 1og0 h ASP 213 N 0.64 0.58 -0.23 0.57 3.32 -1.03 -2.13 116.42 118.14 1og0 h ASP 213 Ca 0.10 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1og0 h ASP 213 Cb 0.70 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1og0 h ASP 213 CO 0.05 0.69 0.13 0.00 -1.72 0.00 0.00 179.24 178.39 1og0 h ALA 214 N 1.38 0.29 -0.60 3.45 0.00 -0.99 -0.25 119.26 122.54 1og0 h ALA 214 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1og0 h ALA 214 Cb 0.45 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1og0 h ALA 214 CO 0.02 -0.19 0.39 0.00 0.00 0.00 0.00 179.25 179.47 1og0 h GLN 216 N 0.81 0.25 -0.35 0.00 1.08 -1.09 -2.62 115.11 113.18 1og0 h GLN 216 Ca 0.22 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.37 1og0 h GLN 216 Cb -0.08 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 1og0 h GLN 216 CO -0.05 0.17 0.11 0.00 -0.95 0.00 0.00 178.83 178.11 1og0 h ALA 217 N 1.10 0.46 0.00 3.87 0.00 -0.74 -2.62 119.26 121.32 1og0 h ALA 217 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1og0 h ALA 217 Cb -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1og0 h ALA 217 CO -0.04 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1og0 n ALA 218 N -2.31 1.34 0.28 0.00 0.00 0.20 -1.70 120.51 118.32 1og0 n ALA 218 Ca -0.01 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.62 1og0 n ALA 218 Cb 0.17 -1.26 0.19 0.00 0.00 0.00 0.00 19.45 18.56 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 2.18 0.96 -1.94 0.00 0.00 -1.08 0.38 119.26 119.75 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 0.16 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.03 1og0 h ALA 219 CO 0.00 0.00 0.16 -1.01 0.00 0.00 0.00 179.25 178.40 1og0 s HIS 220 N -3.20 2.47 -0.02 0.00 3.76 -0.69 -3.91 115.29 113.70 1og0 s HIS 220 Ca 0.07 0.15 -0.19 0.00 -0.15 0.00 0.00 55.06 54.95 1og0 s HIS 220 Cb 0.06 -3.13 -0.05 0.00 1.11 0.00 0.00 32.58 30.57 1og0 s HIS 220 CO 0.67 -1.47 0.53 0.45 -0.85 0.00 0.00 174.74 174.07 1og0 s SER 221 N -4.58 6.89 0.19 1.40 0.15 -1.26 -3.57 113.70 112.91 1og0 s SER 221 Ca 0.62 1.06 0.08 0.00 0.70 0.00 0.00 55.95 58.41 1og0 s SER 221 Cb -0.09 -2.33 -0.04 0.00 -1.71 0.00 0.00 66.02 61.85 1og0 s SER 221 CO 0.44 0.14 -0.15 -1.00 1.20 0.00 0.00 173.24 173.87 1og0 s HIS 222 N -0.27 1.70 -0.32 3.44 3.76 -1.25 -4.93 115.29 117.42 1og0 s HIS 222 Ca 0.28 -0.56 0.03 0.00 -0.15 0.00 0.00 55.06 54.67 1og0 s HIS 222 Cb -0.17 -0.81 0.09 0.00 1.11 0.00 0.00 32.58 32.80 1og0 s HIS 222 CO 0.15 0.33 0.04 -1.01 -0.85 0.00 0.00 174.74 173.40 1og0 s HIS 223 N -2.75 3.27 0.31 1.40 3.76 -1.26 -0.66 115.29 119.36 1og0 s HIS 223 Ca 0.20 -2.64 0.02 0.00 -0.15 0.00 0.00 55.06 52.49 1og0 s HIS 223 Cb -0.02 -2.54 -0.01 0.00 1.11 0.00 0.00 32.58 31.13 1og0 s HIS 223 CO 0.06 -0.92 0.08 1.97 -0.85 0.00 0.00 174.74 175.08 1og0 n PHE 224 N 4.40 0.30 -3.96 1.40 1.16 -0.82 -4.93 117.46 115.01 1og0 n PHE 224 Ca 0.00 -1.87 -0.35 0.00 -1.87 0.00 0.00 57.45 53.36 1og0 n PHE 224 Cb 0.42 -0.07 -0.13 0.00 -1.61 0.00 0.00 39.48 38.09 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 -3.18 3.48 0.35 3.97 -1.94 -1.26 0.65 119.30 121.38 1og0 s MET 225 Ca 0.11 -0.58 0.06 0.00 -1.71 0.00 0.00 55.69 53.58 1og0 s MET 225 Cb 0.01 -3.06 -0.02 0.00 2.01 0.00 0.00 34.83 33.76 1og0 s MET 225 CO 0.08 -0.13 0.23 0.45 -0.01 0.00 0.00 175.02 175.64 1og0 n SER 226 N 4.63 -0.02 -4.75 3.03 2.88 -0.94 -4.95 113.62 113.51 1og0 n SER 226 Ca -0.18 -3.16 -0.30 0.00 -1.33 0.00 0.00 58.87 53.90 1og0 n SER 226 Cb 0.51 1.43 -0.07 0.00 -0.75 0.00 0.00 64.21 65.33 1og0 n SER 226 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1og0 s VAL 227 N -3.24 4.37 1.00 2.46 -7.23 -1.26 -0.80 120.40 115.69 1og0 s VAL 227 Ca 0.33 -0.84 -0.17 0.00 -1.81 0.00 0.00 61.98 59.48 1og0 s VAL 227 Cb 0.02 -3.10 0.23 0.00 0.56 0.00 0.00 36.38 34.08 1og0 s VAL 227 CO 0.23 0.12 1.35 0.42 -0.31 0.00 0.00 175.10 176.91 1og0 s THR 228 N -1.37 1.99 0.56 5.32 -4.23 0.13 -4.88 115.64 113.16 1og0 s THR 228 Ca 0.28 0.00 0.41 0.00 -1.18 0.00 0.00 61.69 61.20 1og0 s THR 228 Cb -0.12 -2.99 0.42 0.00 1.34 0.00 0.00 72.50 71.15 1og0 s THR 228 CO 0.21 0.00 2.29 0.11 -0.54 0.00 0.00 174.62 176.69 1og0 h LYS 229 N -1.80 0.00 -0.63 3.99 1.79 -1.94 -1.93 116.57 116.05 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 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1og0 h LYS 229 CO 0.31 0.01 0.00 0.72 -1.08 0.00 0.00 179.45 179.41 1og0 n HIS 230 N -3.17 1.18 -1.13 -1.35 8.25 -1.26 0.34 115.22 118.08 1og0 n HIS 230 Ca -0.02 -0.48 -0.04 0.00 -0.26 0.00 0.00 57.72 56.92 1og0 n HIS 230 Cb 0.12 -0.19 -0.02 0.00 1.12 0.00 0.00 29.99 31.02 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 1.03 0.71 3.68 -1.41 0.00 -0.73 -4.89 105.19 103.59 1og0 n GLY 231 Ca 0.21 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.09 4.08 0.19 1.61 1.01 -1.26 -4.84 120.40 119.10 1og0 s VAL 232 Ca 0.00 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 1og0 s VAL 232 Cb 0.00 -2.88 -0.08 0.00 0.00 0.00 0.00 36.38 33.42 1og0 s VAL 232 CO 0.00 0.24 1.12 0.00 0.00 0.00 0.00 175.10 176.46 1og0 s ALA 233 N -1.21 3.39 0.15 5.51 0.00 -1.26 0.20 121.76 128.53 1og0 s ALA 233 Ca 0.23 0.85 -0.12 0.00 0.00 0.00 0.00 51.96 52.92 1og0 s ALA 233 Cb -0.12 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.65 1og0 s ALA 233 CO 0.15 -0.23 0.35 0.00 0.00 0.00 0.00 175.76 176.02 1og0 s ALA 234 N -0.33 -0.47 -0.51 0.00 0.00 0.02 -4.89 121.76 115.58 1og0 s ALA 234 Ca 0.49 -0.49 -0.25 0.00 0.00 0.00 0.00 51.96 51.71 1og0 s ALA 234 Cb -0.30 0.75 0.03 0.00 0.00 0.00 0.00 23.12 23.60 1og0 s ALA 234 CO 0.36 -0.66 0.97 0.42 0.00 0.00 0.00 175.76 176.85 1og0 s ILE 235 N -3.89 4.38 0.29 0.00 1.01 -1.26 -2.21 121.20 119.53 1og0 s ILE 235 Ca 0.10 0.60 -0.15 0.00 0.00 0.00 0.00 60.65 61.20 1og0 s ILE 235 Cb 0.02 -4.51 -0.09 0.00 0.01 0.00 0.00 42.46 37.90 1og0 s ILE 235 CO -0.06 -1.00 0.71 -0.89 0.00 0.00 0.00 174.94 173.70 1og0 s THR 236 N 3.98 4.70 -0.12 2.92 2.01 0.21 -4.93 115.64 124.41 1og0 s THR 236 Ca 0.36 0.92 -0.01 0.00 0.31 0.00 0.00 61.69 63.27 1og0 s THR 236 Cb -0.11 -3.64 0.03 0.00 0.01 0.00 0.00 72.50 68.79 1og0 s THR 236 CO 0.24 -0.11 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.13 1og0 s THR 237 N -1.89 0.83 0.37 -0.82 2.01 -1.26 -1.94 115.64 112.93 1og0 s THR 237 Ca 0.51 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.26 1og0 s THR 237 Cb -0.11 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.42 1og0 s THR 237 CO 0.18 0.25 0.58 0.42 -0.69 0.00 0.00 174.62 175.37 1og0 s THR 238 N 1.78 4.95 -0.10 -0.82 -4.23 0.16 -4.96 115.64 112.43 1og0 s THR 238 Ca 0.04 -0.42 0.16 0.00 -1.18 0.00 0.00 61.69 60.29 1og0 s THR 238 Cb -0.13 -3.81 -0.18 0.00 1.34 0.00 0.00 72.50 69.72 1og0 s THR 238 CO -0.07 -0.56 0.72 1.17 -0.54 0.00 0.00 174.62 175.35 1og0 n LYS 239 N -1.86 0.63 0.00 3.99 4.81 -1.24 -3.90 118.16 120.58 1og0 n LYS 239 Ca -0.04 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1og0 n LYS 239 Cb 0.56 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.83 1og0 n LYS 239 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1og0 n GLY 240 N 1.46 2.69 3.20 3.14 0.00 -0.62 -4.39 105.19 110.67 1og0 n GLY 240 Ca -0.13 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 43.92 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 3.80 0.00 1.61 3.84 0.13 -4.85 114.94 119.47 1og0 s ASN 241 Ca 0.00 -0.64 0.22 0.00 0.21 0.00 0.00 52.86 52.65 1og0 s ASN 241 Cb 0.00 -1.60 0.52 0.00 -0.55 0.00 0.00 41.25 39.62 1og0 s ASN 241 CO 0.00 -0.04 1.44 -1.84 -2.79 0.00 0.00 177.10 173.88 1og0 n GLU 242 N 4.68 2.28 -1.90 0.43 0.00 -1.26 -3.56 120.64 121.31 1og0 n GLU 242 Ca -0.19 -1.94 -0.32 0.00 0.00 0.00 0.00 57.16 54.71 1og0 n GLU 242 Cb 0.49 -1.47 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 1.14 3.10 -4.21 -1.84 8.25 -1.26 -4.94 115.22 115.46 1og0 n HIS 243 Ca 0.19 -2.68 -0.34 0.00 -0.26 0.00 0.00 57.72 54.63 1og0 n HIS 243 Cb 0.51 -0.83 -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 0.49 1.95 -0.08 0.00 -0.71 -0.72 -4.42 117.98 114.50 1og0 s PHE 245 Ca -0.01 -1.01 -0.09 0.00 -1.04 0.00 0.00 56.93 54.78 1og0 s PHE 245 Cb -0.14 -1.31 -0.04 0.00 -1.21 0.00 0.00 43.02 40.32 1og0 s PHE 245 CO 0.02 -0.02 0.22 0.08 -1.34 0.00 0.00 175.22 174.18 1og0 s VAL 246 N -3.22 5.37 -0.15 -2.49 1.01 -1.26 -1.02 120.40 118.63 1og0 s VAL 246 Ca 0.32 0.36 -0.00 0.00 0.00 0.00 0.00 61.98 62.66 1og0 s VAL 246 Cb 0.07 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 1og0 s VAL 246 CO 0.15 0.58 -0.13 -0.63 0.00 0.00 0.00 175.10 175.07 1og0 s ILE 247 N -1.07 2.87 -0.26 2.22 1.01 -0.26 -1.37 121.20 124.35 1og0 s ILE 247 Ca 0.18 -0.70 -0.18 0.00 0.00 0.00 0.00 60.65 59.96 1og0 s ILE 247 Cb -0.13 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 1og0 s ILE 247 CO 0.08 0.51 0.50 -0.76 0.00 0.00 0.00 174.94 175.26 1og0 s LEU 248 N 0.73 4.06 -0.04 2.97 1.43 0.91 -2.05 118.68 126.69 1og0 s LEU 248 Ca -0.06 0.51 0.08 0.00 -1.03 0.00 0.00 54.13 53.64 1og0 s LEU 248 Cb -0.15 -2.64 0.14 0.00 0.03 0.00 0.00 46.19 43.57 1og0 s LEU 248 CO 0.01 -0.27 1.07 -2.11 0.23 0.00 0.00 176.35 175.28 1og0 n ARG 249 N 5.45 0.33 0.00 1.70 -4.01 -1.26 -0.50 116.66 118.36 1og0 n ARG 249 Ca -0.05 -1.58 0.00 0.00 -1.04 0.00 0.00 57.85 55.19 1og0 n ARG 249 Cb 0.50 -0.68 0.00 0.00 -3.04 0.00 0.00 32.46 29.24 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 -0.26 -1.89 0.00 2.89 0.00 -1.26 -1.67 105.19 102.99 1og0 n GLY 250 Ca 0.05 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.16 0.21 -0.02 0.00 -1.24 -4.12 105.19 98.85 1og0 n GLY 251 Ca 0.00 -1.49 -0.07 0.00 0.00 0.00 0.00 46.02 44.46 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 2.24 -0.12 0.00 1.61 1.57 -1.54 0.13 116.57 120.47 1og0 h LYS 252 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1og0 h LYS 252 Cb 0.00 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1og0 h LYS 252 CO 0.00 -0.08 0.00 1.17 -0.57 0.00 0.00 179.45 179.98 1og0 n LYS 253 N -5.32 0.00 0.00 3.15 4.81 -1.08 -4.87 118.16 114.84 1og0 n LYS 253 Ca -0.00 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1og0 n LYS 253 Cb 0.24 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.78 1og0 n LYS 253 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1og0 n GLY 254 N -0.95 1.97 3.50 3.14 0.00 0.46 -5.01 105.19 108.30 1og0 n GLY 254 Ca 0.00 -1.94 -0.36 0.00 0.00 0.00 0.00 46.02 43.73 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 1.93 1.80 -2.75 2.61 -2.24 -1.26 -3.67 114.28 110.69 1og0 n THR 255 Ca 0.00 -0.36 -0.04 0.00 -2.27 0.00 0.00 64.05 61.38 1og0 n THR 255 Cb 0.00 -0.81 0.05 0.00 -2.10 0.00 0.00 70.33 67.47 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 -0.78 1.16 -0.65 3.42 0.23 -1.26 -4.84 115.26 112.54 1og0 n ASN 256 Ca 0.10 -2.34 0.09 0.00 -0.53 0.00 0.00 54.58 51.90 1og0 n ASN 256 Cb 0.50 -0.36 0.06 0.00 -2.08 0.00 0.00 39.78 37.91 1og0 n ASN 256 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1og0 n TYR 257 N -0.44 0.00 -2.82 -2.53 0.18 -1.26 -4.40 117.16 105.90 1og0 n TYR 257 Ca 0.06 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.51 1og0 n TYR 257 Cb 0.82 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.72 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 -1.49 6.78 0.28 9.48 -4.77 -1.26 -4.60 116.67 121.08 1og0 s ASP 258 Ca 0.19 1.49 -0.02 0.00 -3.30 0.00 0.00 52.55 50.91 1og0 s ASP 258 Cb 0.14 -2.46 0.60 0.00 -1.09 0.00 0.00 42.92 40.10 1og0 s ASP 258 CO 0.24 -0.37 1.62 0.00 0.70 0.00 0.00 175.17 177.35 1og0 h ALA 259 N 1.71 1.01 -0.25 2.11 0.00 -1.94 0.28 119.26 122.20 1og0 h ALA 259 Ca -0.48 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1og0 h ALA 259 Cb 1.18 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1og0 h ALA 259 CO 0.63 -0.48 0.09 -0.22 0.00 0.00 0.00 179.25 179.27 1og0 h LYS 260 N 0.10 0.34 0.02 0.00 3.64 -1.98 0.16 116.57 118.84 1og0 h LYS 260 Ca 0.50 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.84 1og0 h LYS 260 Cb 0.97 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1og0 h LYS 260 CO -0.75 0.30 -0.01 0.77 -2.27 0.00 0.00 179.45 177.50 1og0 h SER 261 N 0.35 -0.02 -0.67 4.20 0.02 -0.82 -1.64 113.55 114.97 1og0 h SER 261 Ca 0.09 -0.59 0.14 0.00 -0.84 0.00 0.00 61.79 60.58 1og0 h SER 261 Cb 0.10 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.54 1og0 h SER 261 CO -0.01 0.59 0.16 0.58 -1.14 0.00 0.00 176.83 177.01 1og0 h VAL 262 N -0.64 0.58 -0.29 2.27 2.07 -0.78 0.21 116.25 119.67 1og0 h VAL 262 Ca -0.00 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1og0 h VAL 262 Cb 0.61 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1og0 h VAL 262 CO 0.00 0.05 0.16 0.00 0.02 0.00 0.00 177.57 177.80 1og0 h ALA 263 N 1.55 0.37 -0.26 1.67 0.00 -0.68 0.14 119.26 122.04 1og0 h ALA 263 Ca 0.37 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1og0 h ALA 263 Cb 0.58 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1og0 h ALA 263 CO -0.46 -0.11 -0.01 0.93 0.00 0.00 0.00 179.25 179.61 1og0 h GLU 264 N 0.35 0.39 0.77 0.00 4.39 -0.25 -1.54 114.58 118.69 1og0 h GLU 264 Ca 0.10 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 1og0 h GLU 264 Cb 0.06 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1og0 h GLU 264 CO -0.02 0.43 -0.37 0.00 -1.16 0.00 0.00 179.01 177.89 1og0 h ALA 265 N 1.62 -1.03 -1.05 3.43 0.00 0.04 -2.91 119.26 119.36 1og0 h ALA 265 Ca 0.09 -0.23 0.27 0.00 0.00 0.00 0.00 54.91 55.04 1og0 h ALA 265 Cb 0.27 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 18.35 1og0 h ALA 265 CO 0.01 -0.99 0.66 0.87 0.00 0.00 0.00 179.25 179.80 1og0 h LYS 266 N -1.22 0.40 0.00 0.00 1.57 -0.49 0.46 116.57 117.29 1og0 h LYS 266 Ca -0.11 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1og0 h LYS 266 Cb 0.80 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 1og0 h LYS 266 CO 0.17 0.27 -0.13 0.00 -0.57 0.00 0.00 179.45 179.19 1og0 h ALA 267 N 1.65 1.07 0.00 3.86 0.00 -1.17 -2.88 119.26 121.80 1og0 h ALA 267 Ca 0.62 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1og0 h ALA 267 Cb 1.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1og0 h ALA 267 CO -0.35 0.16 -1.10 1.04 0.00 0.00 0.00 179.25 178.99 1og0 n GLN 268 N -3.35 0.53 -1.98 0.00 6.02 0.15 -4.92 117.38 113.82 1og0 n GLN 268 Ca -0.00 0.05 -0.42 0.00 -0.01 0.00 0.00 57.00 56.62 1og0 n GLN 268 Cb 0.33 -1.73 -0.03 0.00 1.02 0.00 0.00 30.24 29.83 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 -4.89 4.35 1.26 1.08 1.43 -0.86 -5.00 118.68 116.05 1og0 s LEU 269 Ca -0.00 2.37 -0.20 0.00 -1.03 0.00 0.00 54.13 55.27 1og0 s LEU 269 Cb 0.11 -3.55 0.31 0.00 0.03 0.00 0.00 46.19 43.09 1og0 s LEU 269 CO 0.80 -0.88 1.06 -2.16 0.23 0.00 0.00 176.35 175.40 1og0 s PRO 270 N 3.03 -1.71 0.17 1.29 0.04 -1.26 -4.90 135.00 131.66 1og0 s PRO 270 Ca 0.73 0.01 -0.32 0.00 0.04 0.00 0.00 61.00 61.47 1og0 s PRO 270 Cb -0.37 -1.53 -0.10 0.00 0.04 0.00 0.00 34.50 32.53 1og0 s PRO 270 CO 0.31 -4.05 1.62 0.00 0.04 0.00 0.00 177.00 174.92 1og0 s ALA 271 N -2.79 3.81 -0.01 8.56 0.00 -1.26 -2.60 121.76 127.47 1og0 s ALA 271 Ca 0.70 1.41 0.00 0.00 0.00 0.00 0.00 51.96 54.08 1og0 s ALA 271 Cb -0.11 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1og0 s ALA 271 CO 0.57 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1og0 n GLY 272 N 3.84 0.47 3.69 0.00 0.00 -1.26 -5.03 105.19 106.90 1og0 n GLY 272 Ca 0.15 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.12 3.20 0.64 1.61 1.04 -1.07 -5.03 113.70 111.97 1og0 s SER 273 Ca 0.00 1.65 0.06 0.00 0.48 0.00 0.00 55.95 58.14 1og0 s SER 273 Cb 0.00 -2.30 0.11 0.00 0.10 0.00 0.00 66.02 63.93 1og0 s SER 273 CO 0.00 -2.84 0.88 0.59 0.98 0.00 0.00 173.24 172.85 1og0 n ASN 274 N -4.03 1.82 -4.75 7.02 3.02 -1.26 -5.04 115.26 112.04 1og0 n ASN 274 Ca 0.08 -2.39 -0.41 0.00 -0.03 0.00 0.00 54.58 51.83 1og0 n ASN 274 Cb 0.54 -0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 39.18 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 -4.81 2.66 0.53 7.41 0.00 0.17 -4.82 107.32 108.45 1og0 s GLY 275 Ca 0.63 1.16 -0.21 0.00 0.00 0.00 0.00 44.72 46.30 1og0 s GLY 275 CO 0.41 2.00 1.21 1.08 0.00 0.00 0.00 173.10 177.80 1og0 s LEU 276 N -0.78 3.85 0.04 0.66 1.43 -0.56 -4.58 118.68 118.73 1og0 s LEU 276 Ca 0.53 2.41 0.09 0.00 -1.03 0.00 0.00 54.13 56.13 1og0 s LEU 276 Cb -0.38 -4.39 -0.03 0.00 0.03 0.00 0.00 46.19 41.42 1og0 s LEU 276 CO 0.44 -1.29 -0.25 -0.32 0.23 0.00 0.00 176.35 175.16 1og0 s MET 277 N -3.00 1.75 -0.19 1.70 -2.45 -0.47 -1.12 119.30 115.52 1og0 s MET 277 Ca 0.70 -1.06 0.01 0.00 -1.25 0.00 0.00 55.69 54.09 1og0 s MET 277 Cb -0.31 -1.90 0.04 0.00 1.25 0.00 0.00 34.83 33.91 1og0 s MET 277 CO 0.36 0.49 -0.13 0.42 1.05 0.00 0.00 175.02 177.21 1og0 s ILE 278 N -0.78 1.78 -0.09 10.11 1.01 0.03 -0.07 121.20 133.19 1og0 s ILE 278 Ca 0.11 -1.01 -0.30 0.00 0.00 0.00 0.00 60.65 59.46 1og0 s ILE 278 Cb -0.10 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 1og0 s ILE 278 CO 0.02 0.27 1.01 -0.62 0.00 0.00 0.00 174.94 175.62 1og0 s ASP 279 N 1.35 7.25 0.13 3.58 2.15 0.34 -1.81 116.67 129.66 1og0 s ASP 279 Ca 0.00 1.56 0.01 0.00 0.43 0.00 0.00 52.55 54.55 1og0 s ASP 279 Cb -0.15 -2.56 -0.14 0.00 -0.30 0.00 0.00 42.92 39.77 1og0 s ASP 279 CO -0.09 -0.44 1.28 1.88 -0.17 0.00 0.00 175.17 177.63 1og0 h TYR 280 N 7.08 0.31 -1.95 -5.34 -1.99 -1.23 -3.43 116.97 110.42 1og0 h TYR 280 Ca -0.32 -0.20 0.00 0.00 2.00 0.00 0.00 58.73 60.21 1og0 h TYR 280 Cb 1.15 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.86 1og0 h TYR 280 CO 0.71 1.08 0.00 -1.13 -0.00 0.00 0.00 178.16 178.82 1og0 n SER 281 N -3.56 0.00 0.00 3.88 3.41 -1.26 -2.54 113.62 113.55 1og0 n SER 281 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1og0 n SER 281 Cb 0.90 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 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 0.00 0.00 0.05 7.33 8.25 -1.26 -2.40 115.22 127.19 1og0 n HIS 282 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 1og0 n HIS 282 Cb 0.00 0.05 0.12 0.00 1.12 0.00 0.00 29.99 31.27 1og0 n HIS 282 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1og0 n GLY 283 N 0.00 -0.43 0.01 -1.41 0.00 -0.67 -1.45 105.19 101.23 1og0 n GLY 283 Ca 0.00 0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.16 1og0 n GLY 283 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1og0 n ASN 284 N -1.56 0.41 0.02 1.61 3.02 -1.01 -3.99 115.26 113.76 1og0 n ASN 284 Ca -0.00 -0.17 0.13 0.00 -0.03 0.00 0.00 54.58 54.51 1og0 n ASN 284 Cb 0.19 1.78 0.35 0.00 -0.61 0.00 0.00 39.78 41.49 1og0 n ASN 284 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1og0 n SER 285 N -2.09 0.41 -3.61 6.41 3.41 -0.53 -4.91 113.62 112.71 1og0 n SER 285 Ca -0.02 0.07 -0.22 0.00 -0.26 0.00 0.00 58.87 58.43 1og0 n SER 285 Cb 0.50 -0.03 0.04 0.00 -0.26 0.00 0.00 64.21 64.46 1og0 n SER 285 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1og0 n ASN 286 N -1.64 -2.97 0.00 4.04 3.02 -1.13 -2.54 115.26 114.04 1og0 n ASN 286 Ca 0.06 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.77 1og0 n ASN 286 Cb 0.36 -4.14 0.00 0.00 -0.61 0.00 0.00 39.78 35.39 1og0 n ASN 286 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1og0 n LYS 287 N -4.08 -0.40 -3.75 3.52 4.81 -1.26 -4.96 118.16 112.04 1og0 n LYS 287 Ca -0.22 0.10 -0.28 0.00 -0.87 0.00 0.00 58.31 57.04 1og0 n LYS 287 Cb 0.65 -3.73 -0.16 0.00 0.02 0.00 0.00 35.03 31.81 1og0 n LYS 287 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1og0 s ASP 288 N -2.29 3.15 0.63 3.14 2.15 -1.05 -5.01 116.67 117.38 1og0 s ASP 288 Ca 0.00 -0.96 0.36 0.00 0.43 0.00 0.00 52.55 52.38 1og0 s ASP 288 Cb 0.00 -0.68 1.97 0.00 -0.30 0.00 0.00 42.92 43.90 1og0 s ASP 288 CO 0.00 -0.31 2.10 2.19 -0.17 0.00 0.00 175.17 178.98 1og0 h PHE 289 N 8.20 0.00 0.00 -5.34 -0.00 -1.87 -0.76 116.94 117.17 1og0 h PHE 289 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.81 1og0 h PHE 289 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.05 1og0 h PHE 289 CO 0.31 0.00 0.00 0.54 -0.00 0.00 0.00 178.31 179.16 1og0 n ARG 290 N -2.90 0.23 0.00 6.09 1.74 -1.26 -2.42 116.66 118.14 1og0 n ARG 290 Ca -0.02 0.12 0.14 0.00 -0.77 0.00 0.00 57.85 57.31 1og0 n ARG 290 Cb 0.19 -1.50 0.49 0.00 -1.02 0.00 0.00 32.46 30.63 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 -1.32 1.06 -0.08 0.55 5.03 -0.29 -4.02 115.26 116.18 1og0 n ASN 291 Ca 0.08 -1.06 -0.13 0.00 0.87 0.00 0.00 54.58 54.34 1og0 n ASN 291 Cb 0.16 0.05 -0.05 0.00 -1.02 0.00 0.00 39.78 38.92 1og0 n ASN 291 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 1og0 h GLN 292 N 1.46 0.57 -0.25 3.52 4.20 -1.68 -1.85 115.11 121.08 1og0 h GLN 292 Ca 0.00 -0.28 0.07 0.00 0.06 0.00 0.00 58.65 58.50 1og0 h GLN 292 Cb 0.46 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1og0 h GLN 292 CO 0.00 0.86 0.18 -1.35 -0.67 0.00 0.00 178.83 177.85 1og0 h PRO 293 N 0.28 0.00 0.10 1.46 0.11 -1.81 -1.42 132.00 130.72 1og0 h PRO 293 Ca 0.05 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.15 1og0 h PRO 293 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1og0 h PRO 293 CO 0.05 0.00 -0.05 0.87 -0.21 0.00 0.00 178.00 178.66 1og0 h LYS 294 N 0.00 -0.13 -0.99 1.05 6.56 -1.70 -2.74 116.57 118.62 1og0 h LYS 294 Ca 0.12 0.01 0.15 0.00 -1.06 0.00 0.00 60.65 59.87 1og0 h LYS 294 Cb 0.48 0.03 -0.09 0.00 -0.57 0.00 0.00 32.23 32.08 1og0 h LYS 294 CO -0.00 0.37 0.62 0.28 -2.06 0.00 0.00 179.45 178.66 1og0 h VAL 295 N -0.74 0.84 0.11 0.50 2.07 -0.83 -1.48 116.25 116.73 1og0 h VAL 295 Ca -0.01 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.21 1og0 h VAL 295 Cb 0.56 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 1og0 h VAL 295 CO 0.02 0.16 -0.35 -1.13 0.02 0.00 0.00 177.57 176.29 1og0 h ASN 296 N 0.88 -1.04 -0.68 0.57 -0.00 -1.21 0.15 115.58 114.25 1og0 h ASN 296 Ca 0.52 0.11 0.14 0.00 -0.00 0.00 0.00 56.30 57.06 1og0 h ASN 296 Cb 0.66 0.38 -0.13 0.00 -0.00 0.00 0.00 38.32 39.23 1og0 h ASN 296 CO -0.30 -0.38 -0.19 0.44 -0.00 0.00 0.00 177.43 177.01 1og0 h ASP 297 N -0.52 -0.69 -0.52 1.15 3.45 -0.99 2.02 116.42 120.32 1og0 h ASP 297 Ca -0.01 0.21 -0.03 0.00 0.43 0.00 0.00 57.03 57.63 1og0 h ASP 297 Cb 0.51 0.44 -0.03 0.00 -0.56 0.00 0.00 39.33 39.70 1og0 h ASP 297 CO -0.17 -0.24 0.22 0.58 -1.57 0.00 0.00 179.24 178.07 1og0 h VAL 298 N -0.01 1.20 0.12 -1.35 2.07 -0.93 -1.50 116.25 115.85 1og0 h VAL 298 Ca 0.32 -0.64 -0.28 0.00 0.82 0.00 0.00 66.70 66.93 1og0 h VAL 298 Cb 0.51 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1og0 h VAL 298 CO -0.71 0.25 -1.28 0.58 0.02 0.00 0.00 177.57 176.43 1og0 h VAL 299 N 0.80 1.45 0.00 2.57 2.07 0.21 -3.19 116.25 120.17 1og0 h VAL 299 Ca 0.19 -3.04 -0.01 0.00 0.82 0.00 0.00 66.70 64.66 1og0 h VAL 299 Cb 0.16 2.91 -0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1og0 h VAL 299 CO -0.02 0.88 -0.05 0.00 0.02 0.00 0.00 177.57 178.40 1og0 h GLU 301 N 0.00 0.43 -0.44 0.00 4.22 -1.27 -1.61 114.58 115.92 1og0 h GLU 301 Ca -0.00 -0.69 -0.09 0.00 0.08 0.00 0.00 59.36 58.66 1og0 h GLU 301 Cb 0.30 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1og0 h GLU 301 CO 0.01 1.32 -0.08 1.96 -2.18 0.00 0.00 179.01 180.04 1og0 h GLN 302 N 0.14 0.76 -0.09 1.92 4.20 -1.46 -2.91 115.11 117.67 1og0 h GLN 302 Ca -0.19 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.24 1og0 h GLN 302 Cb 2.02 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.73 1og0 h GLN 302 CO 0.24 0.83 -0.11 0.82 -0.67 0.00 0.00 178.83 179.93 1og0 h ILE 303 N 0.70 1.37 0.00 2.54 2.04 -1.47 -0.59 117.51 122.10 1og0 h ILE 303 Ca 0.12 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.68 1og0 h ILE 303 Cb 0.55 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 1og0 h ILE 303 CO 0.03 0.37 0.00 0.00 0.00 0.00 0.00 178.15 178.55 1og0 n ALA 304 N -2.41 1.34 0.73 1.87 0.00 -0.61 -1.66 120.51 119.77 1og0 n ALA 304 Ca -0.07 -0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.46 1og0 n ALA 304 Cb 0.34 -1.15 0.08 0.00 0.00 0.00 0.00 19.45 18.72 1og0 n ALA 304 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1og0 n ASN 305 N -1.60 2.56 0.00 0.00 3.02 -1.11 -4.37 115.26 113.76 1og0 n ASN 305 Ca 0.02 -1.77 0.00 0.00 -0.03 0.00 0.00 54.58 52.79 1og0 n ASN 305 Cb 0.09 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 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 1.04 1.43 3.63 7.41 0.00 -0.66 -5.00 105.19 113.04 1og0 n GLY 306 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.23 3.94 0.00 1.61 2.56 -0.24 -4.83 118.70 121.52 1og0 s GLU 307 Ca 0.00 1.39 0.14 0.00 0.00 0.00 0.00 54.97 56.50 1og0 s GLU 307 Cb 0.00 -3.89 0.13 0.00 2.00 0.00 0.00 34.13 32.37 1og0 s GLU 307 CO 0.00 -1.09 0.98 0.09 -0.56 0.00 0.00 175.26 174.68 1og0 n ASN 308 N 7.61 2.25 0.20 -1.70 3.02 -1.26 -4.31 115.26 121.09 1og0 n ASN 308 Ca 0.15 -1.62 0.09 0.00 -0.03 0.00 0.00 54.58 53.18 1og0 n ASN 308 Cb 0.46 -0.02 0.28 0.00 -0.61 0.00 0.00 39.78 39.89 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 2.81 0.91 -2.30 5.41 0.00 -1.96 -3.41 119.26 120.73 1og0 h ALA 309 Ca 0.00 -0.19 -0.68 0.00 0.00 0.00 0.00 54.91 54.04 1og0 h ALA 309 Cb 0.61 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.19 1og0 h ALA 309 CO 0.00 0.26 -0.09 0.42 0.00 0.00 0.00 179.25 179.84 1og0 s ILE 310 N -3.32 5.00 -0.36 0.00 1.01 -1.26 -1.49 121.20 120.77 1og0 s ILE 310 Ca 0.04 -0.22 0.10 0.00 0.00 0.00 0.00 60.65 60.56 1og0 s ILE 310 Cb 0.08 -4.10 -0.11 0.00 0.01 0.00 0.00 42.46 38.33 1og0 s ILE 310 CO 0.67 -0.50 0.37 0.35 0.00 0.00 0.00 174.94 175.82 1og0 n THR 311 N 5.57 0.00 -3.79 2.92 -2.24 -0.27 -4.95 114.28 111.51 1og0 n THR 311 Ca -0.06 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.35 1og0 n THR 311 Cb 0.47 0.85 -0.08 0.00 -2.10 0.00 0.00 70.33 69.48 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 -2.15 -0.05 0.09 3.38 0.00 -1.05 -0.18 107.32 107.36 1og0 s GLY 312 Ca 0.02 -0.17 0.03 0.00 0.00 0.00 0.00 44.72 44.60 1og0 s GLY 312 CO 0.40 -0.37 -0.09 -1.34 0.00 0.00 0.00 173.10 171.69 1og0 s VAL 313 N -2.78 0.88 -0.07 1.40 -7.23 -0.05 -0.79 120.40 111.76 1og0 s VAL 313 Ca -0.03 -1.62 0.02 0.00 -1.81 0.00 0.00 61.98 58.53 1og0 s VAL 313 Cb -0.00 -1.33 0.01 0.00 0.56 0.00 0.00 36.38 35.62 1og0 s VAL 313 CO -0.05 -0.58 -0.12 -0.32 -0.31 0.00 0.00 175.10 173.73 1og0 s MET 314 N -2.80 1.65 -0.07 4.82 0.00 -0.75 -1.40 119.30 120.75 1og0 s MET 314 Ca 0.05 -0.39 -0.00 0.00 0.00 0.00 0.00 55.69 55.35 1og0 s MET 314 Cb -0.03 -1.39 0.02 0.00 0.00 0.00 0.00 34.83 33.44 1og0 s MET 314 CO -0.00 0.01 -0.03 0.42 0.00 0.00 0.00 175.02 175.41 1og0 s ILE 315 N 0.73 0.56 -0.57 10.11 1.01 -0.50 -0.74 121.20 131.81 1og0 s ILE 315 Ca -0.13 -0.06 -0.26 0.00 0.00 0.00 0.00 60.65 60.20 1og0 s ILE 315 Cb -0.16 -0.64 0.04 0.00 0.01 0.00 0.00 42.46 41.71 1og0 s ILE 315 CO 0.03 0.26 1.04 -1.61 0.00 0.00 0.00 174.94 174.66 1og0 s GLU 316 N 1.46 3.38 0.37 2.79 2.02 -1.26 -1.94 118.70 125.52 1og0 s GLU 316 Ca -0.02 -0.10 0.05 0.00 0.02 0.00 0.00 54.97 54.92 1og0 s GLU 316 Cb -0.13 -4.05 -0.07 0.00 0.10 0.00 0.00 34.13 29.98 1og0 s GLU 316 CO -0.03 -1.58 0.04 0.45 0.02 0.00 0.00 175.26 174.16 1og0 s SER 317 N 2.92 3.14 0.16 -0.19 0.15 0.37 -2.90 113.70 117.36 1og0 s SER 317 Ca 0.35 -1.40 -0.19 0.00 0.70 0.00 0.00 55.95 55.41 1og0 s SER 317 Cb -0.11 -0.17 0.07 0.00 -1.71 0.00 0.00 66.02 64.10 1og0 s SER 317 CO 0.21 -0.56 0.91 -3.20 1.20 0.00 0.00 173.24 171.80 1og0 n ASN 318 N -0.86 -1.54 -0.13 5.45 2.85 -0.67 -0.41 115.26 119.94 1og0 n ASN 318 Ca -0.04 -1.80 -0.12 0.00 -0.11 0.00 0.00 54.58 52.50 1og0 n ASN 318 Cb 0.67 2.50 -0.02 0.00 1.24 0.00 0.00 39.78 44.17 1og0 n ASN 318 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1og0 h ILE 319 N 1.87 1.28 -3.88 -1.44 2.04 -1.82 -0.95 117.51 114.61 1og0 h ILE 319 Ca -0.24 -1.33 -0.54 0.00 1.00 0.00 0.00 64.86 63.75 1og0 h ILE 319 Cb 1.06 1.27 -0.31 0.00 -0.74 0.00 0.00 36.82 38.10 1og0 h ILE 319 CO 0.32 0.45 -0.83 0.20 0.00 0.00 0.00 178.15 178.29 1og0 s ASN 320 N -6.55 1.98 1.15 1.72 0.01 -0.72 -2.71 114.94 109.82 1og0 s ASN 320 Ca -0.12 -0.32 -0.18 0.00 -0.71 0.00 0.00 52.86 51.53 1og0 s ASN 320 Cb 0.11 -0.55 0.16 0.00 0.41 0.00 0.00 41.25 41.38 1og0 s ASN 320 CO 0.84 0.14 0.25 -1.84 -1.51 0.00 0.00 177.10 174.97 1og0 n GLU 321 N 3.18 -2.05 0.00 -0.60 0.28 -1.26 -4.57 120.64 115.62 1og0 n GLU 321 Ca -0.18 -0.58 0.00 0.00 -0.16 0.00 0.00 57.16 56.24 1og0 n GLU 321 Cb 0.53 -1.77 0.00 0.00 1.43 0.00 0.00 31.44 31.63 1og0 n GLU 321 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1og0 n GLY 322 N 1.89 0.26 0.00 -1.84 0.00 0.24 -4.81 105.19 100.92 1og0 n GLY 322 Ca 0.02 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.68 0.00 -0.93 1.61 6.94 -1.26 -3.00 115.26 115.93 1og0 n ASN 323 Ca 0.00 -0.53 0.00 0.00 -0.02 0.00 0.00 54.58 54.03 1og0 n ASN 323 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1og0 n ASN 323 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1og0 n GLN 324 N 0.00 0.00 -3.87 -3.83 10.64 -0.83 -4.88 117.38 114.61 1og0 n GLN 324 Ca 0.00 0.00 -0.24 0.00 -1.83 0.00 0.00 57.00 54.93 1og0 n GLN 324 Cb 0.00 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.34 1og0 n GLN 324 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1og0 n GLY 325 N 0.00 3.52 3.20 2.61 0.00 -1.26 -4.60 105.19 108.66 1og0 n GLY 325 Ca 0.00 -2.32 -0.40 0.00 0.00 0.00 0.00 46.02 43.30 1og0 n GLY 325 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1og0 s ILE 326 N -2.32 4.08 0.87 -0.61 1.01 -1.26 -4.93 121.20 118.04 1og0 s ILE 326 Ca 0.05 -1.84 -0.12 0.00 0.00 0.00 0.00 60.65 58.74 1og0 s ILE 326 Cb -0.00 -3.70 0.10 0.00 0.01 0.00 0.00 42.46 38.86 1og0 s ILE 326 CO 0.03 -0.77 1.04 -0.81 0.00 0.00 0.00 174.94 174.43 1og0 n PRO 327 N 4.85 -0.15 0.16 2.79 -0.04 -1.26 -4.86 135.00 136.50 1og0 n PRO 327 Ca -0.07 0.03 0.18 0.00 -0.04 0.00 0.00 63.50 63.60 1og0 n PRO 327 Cb 0.41 -2.30 0.80 0.00 -0.04 0.00 0.00 33.50 32.36 1og0 n PRO 327 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1og0 h ALA 328 N -1.38 1.93 0.00 0.55 0.00 -1.98 -3.13 119.26 115.25 1og0 h ALA 328 Ca -0.44 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.12 1og0 h ALA 328 Cb 1.29 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.11 1og0 h ALA 328 CO 0.42 -0.42 2.43 -0.85 0.00 0.00 0.00 179.25 180.83 1og0 n GLU 329 N -3.80 1.86 0.00 0.00 -0.00 -1.26 -4.84 120.64 112.60 1og0 n GLU 329 Ca 0.04 -1.35 0.00 0.00 -0.00 0.00 0.00 57.16 55.85 1og0 n GLU 329 Cb 0.43 -2.40 0.00 0.00 -0.00 0.00 0.00 31.44 29.47 1og0 n GLU 329 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1og0 n GLY 330 N 3.78 0.43 0.00 -1.84 0.00 -1.18 -3.05 105.19 103.33 1og0 n GLY 330 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 0.82 0.00 1.61 4.81 -1.26 -4.63 118.16 119.50 1og0 n LYS 331 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1og0 n LYS 331 Cb 0.00 -0.23 0.00 0.00 0.02 0.00 0.00 35.03 34.82 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 -0.35 2.08 -1.70 3.14 0.00 -1.18 -1.84 120.51 120.67 1og0 n ALA 332 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1og0 n ALA 332 Cb 0.00 -1.00 0.13 0.00 0.00 0.00 0.00 19.45 18.58 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 0.09 5.58 3.53 0.00 0.00 -1.17 -5.01 105.19 108.20 1og0 n GLY 333 Ca 0.00 -1.83 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 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 -3.41 3.17 0.12 0.99 1.43 -0.77 -4.68 118.68 115.53 1og0 s LEU 334 Ca 0.46 -0.09 -0.33 0.00 -1.03 0.00 0.00 54.13 53.14 1og0 s LEU 334 Cb 0.40 -1.72 -0.13 0.00 0.03 0.00 0.00 46.19 44.78 1og0 s LEU 334 CO -0.01 0.27 1.71 0.29 0.23 0.00 0.00 176.35 178.84 1og0 n LYS 335 N 2.84 2.38 -2.02 1.70 4.01 -1.26 -4.92 118.16 120.89 1og0 n LYS 335 Ca -0.18 0.86 -0.37 0.00 -0.51 0.00 0.00 58.31 58.11 1og0 n LYS 335 Cb 0.53 -2.68 0.02 0.00 -0.51 0.00 0.00 35.03 32.38 1og0 n LYS 335 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 1og0 s TYR 336 N 1.88 2.55 -1.09 2.13 5.04 -1.26 -3.04 117.35 123.56 1og0 s TYR 336 Ca 0.81 1.47 0.00 0.00 -2.44 0.00 0.00 57.07 56.91 1og0 s TYR 336 Cb -0.61 -3.57 0.00 0.00 0.35 0.00 0.00 41.96 38.13 1og0 s TYR 336 CO 0.39 -2.19 0.00 0.41 -1.34 0.00 0.00 175.55 172.82 1og0 n GLY 337 N 0.57 0.99 3.44 8.97 0.00 -1.26 -4.77 105.19 113.13 1og0 n GLY 337 Ca 0.10 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.91 3.24 0.53 1.61 1.01 -1.17 -1.75 120.40 121.96 1og0 s VAL 338 Ca 0.00 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 61.14 1og0 s VAL 338 Cb 0.00 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 1og0 s VAL 338 CO 0.00 0.55 1.38 -0.55 0.00 0.00 0.00 175.10 176.47 1og0 s SER 339 N -0.07 5.33 -0.22 3.32 0.15 -1.25 -4.85 113.70 116.11 1og0 s SER 339 Ca -0.02 2.81 0.14 0.00 0.70 0.00 0.00 55.95 59.59 1og0 s SER 339 Cb -0.14 -2.64 0.54 0.00 -1.71 0.00 0.00 66.02 62.07 1og0 s SER 339 CO 0.03 -1.54 1.46 2.30 1.20 0.00 0.00 173.24 176.69 1og0 n ILE 340 N -0.92 2.39 0.00 6.45 -5.35 -1.26 -1.97 119.36 118.70 1og0 n ILE 340 Ca 0.10 -2.07 0.00 0.00 -0.27 0.00 0.00 62.75 60.50 1og0 n ILE 340 Cb 0.44 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.06 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 -0.66 0.00 -2.10 7.28 -2.24 -1.26 -4.92 114.28 110.38 1og0 n THR 341 Ca 0.26 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.70 1og0 n THR 341 Cb 0.96 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 69.20 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 1.03 5.62 0.33 3.42 1.01 -1.26 -4.79 116.67 122.03 1og0 s ASP 342 Ca 0.00 2.03 -0.27 0.00 0.71 0.00 0.00 52.55 55.02 1og0 s ASP 342 Cb 0.00 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.28 1og0 s ASP 342 CO 0.00 -1.28 1.10 0.00 0.21 0.00 0.00 175.17 175.19 1og0 s ALA 343 N -2.09 3.28 0.25 5.23 0.00 -1.26 -4.72 121.76 122.45 1og0 s ALA 343 Ca 0.69 0.85 0.05 0.00 0.00 0.00 0.00 51.96 53.55 1og0 s ALA 343 Cb -0.21 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 1og0 s ALA 343 CO 0.32 -0.23 -0.03 0.00 0.00 0.00 0.00 175.76 175.82 1og0 s ILE 345 N -3.25 3.97 0.74 0.00 -4.36 -1.14 0.81 121.20 117.97 1og0 s ILE 345 Ca 0.28 0.01 -0.08 0.00 -0.26 0.00 0.00 60.65 60.61 1og0 s ILE 345 Cb 0.05 -3.55 0.07 0.00 1.25 0.00 0.00 42.46 40.28 1og0 s ILE 345 CO 0.10 -0.55 1.06 -0.83 0.24 0.00 0.00 174.94 174.96 1og0 s GLY 346 N -4.25 1.67 0.11 6.27 0.00 -1.26 -1.68 107.32 108.18 1og0 s GLY 346 Ca 0.52 -0.88 -0.26 0.00 0.00 0.00 0.00 44.72 44.11 1og0 s GLY 346 CO 0.45 -0.44 1.66 -0.25 0.00 0.00 0.00 173.10 174.52 1og0 h TRP 347 N -0.74 -0.49 -0.17 1.90 2.91 -0.95 -1.25 115.95 117.16 1og0 h TRP 347 Ca -0.45 0.01 0.02 0.00 1.13 0.00 0.00 58.89 59.60 1og0 h TRP 347 Cb 1.32 0.21 -0.03 0.00 -0.51 0.00 0.00 29.16 30.14 1og0 h TRP 347 CO 0.28 -0.27 -0.19 0.93 -1.03 0.00 0.00 178.44 178.16 1og0 h GLU 348 N -0.35 -0.11 -0.03 2.65 4.39 -1.88 0.12 114.58 119.37 1og0 h GLU 348 Ca 0.03 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.75 1og0 h GLU 348 Cb 0.38 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1og0 h GLU 348 CO -0.11 -0.07 0.12 0.00 -1.16 0.00 0.00 179.01 177.78 1og0 h THR 349 N -0.11 0.12 0.13 1.13 1.03 -1.93 -2.18 112.91 111.09 1og0 h THR 349 Ca 0.03 0.00 -0.18 0.00 -0.01 0.00 0.00 66.41 66.25 1og0 h THR 349 Cb 0.19 0.89 0.02 0.00 -1.07 0.00 0.00 68.15 68.18 1og0 h THR 349 CO -0.22 0.00 -0.78 0.74 -0.01 0.00 0.00 175.52 175.25 1og0 h THR 350 N 0.00 1.52 0.00 0.00 2.02 0.16 -3.26 112.91 113.35 1og0 h THR 350 Ca 0.01 -2.52 0.00 0.00 0.77 0.00 0.00 66.41 64.68 1og0 h THR 350 Cb 0.26 3.19 0.00 0.00 -1.74 0.00 0.00 68.15 69.86 1og0 h THR 350 CO -0.00 0.71 0.15 1.21 0.37 0.00 0.00 175.52 177.96 1og0 n GLU 351 N -4.14 0.08 -0.04 6.66 2.13 -0.14 -1.54 120.64 123.65 1og0 n GLU 351 Ca -0.14 0.53 -0.02 0.00 0.66 0.00 0.00 57.16 58.20 1og0 n GLU 351 Cb 0.81 -1.91 -0.01 0.00 0.27 0.00 0.00 31.44 30.60 1og0 n GLU 351 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1og0 h ASP 352 N 0.00 0.00 -0.80 4.31 3.32 -1.61 -3.01 116.42 118.63 1og0 h ASP 352 Ca 0.00 0.00 0.15 0.00 0.02 0.00 0.00 57.03 57.20 1og0 h ASP 352 Cb 0.31 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.71 1og0 h ASP 352 CO 0.00 0.40 -0.23 0.52 -1.72 0.00 0.00 179.24 178.21 1og0 n VAL 353 N -3.71 -0.36 0.04 -1.35 0.31 -0.70 0.21 118.33 112.77 1og0 n VAL 353 Ca -0.02 1.84 -0.01 0.00 -0.01 0.00 0.00 64.34 66.14 1og0 n VAL 353 Cb 0.09 -2.52 0.27 0.00 -0.91 0.00 0.00 33.84 30.77 1og0 n VAL 353 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1og0 h LEU 354 N 0.00 0.41 -0.36 7.52 3.38 -1.43 0.80 115.31 125.62 1og0 h LEU 354 Ca 0.36 -0.11 -0.18 0.00 0.09 0.00 0.00 57.88 58.03 1og0 h LEU 354 Cb 0.56 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1og0 h LEU 354 CO -0.82 0.60 -0.82 0.03 0.09 0.00 0.00 178.44 177.52 1og0 h ARG 355 N 0.38 0.15 -0.04 1.13 3.08 0.25 0.20 114.38 119.54 1og0 h ARG 355 Ca 0.07 -0.16 -0.16 0.00 0.07 0.00 0.00 59.98 59.79 1og0 h ARG 355 Cb 0.53 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.63 1og0 h ARG 355 CO 0.03 0.89 -0.62 0.87 -1.07 0.00 0.00 179.97 180.08 1og0 h LYS 356 N 0.09 0.49 -0.37 0.04 1.57 -0.21 -1.94 116.57 116.25 1og0 h LYS 356 Ca -0.03 -0.47 -0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1og0 h LYS 356 Cb 1.43 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.85 1og0 h LYS 356 CO 0.12 1.11 0.22 1.25 -0.57 0.00 0.00 179.45 181.58 1og0 h LEU 357 N 0.04 0.44 -0.47 2.94 5.85 -0.84 0.36 115.31 123.63 1og0 h LEU 357 Ca -0.07 -0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.70 1og0 h LEU 357 Cb 1.30 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 42.12 1og0 h LEU 357 CO 0.12 0.36 -0.15 0.00 -0.34 0.00 0.00 178.44 178.43 1og0 h ALA 358 N 1.09 0.25 -0.42 1.25 0.00 -0.54 -1.23 119.26 119.67 1og0 h ALA 358 Ca 0.13 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 1og0 h ALA 358 Cb 0.00 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1og0 h ALA 358 CO -0.02 -0.48 0.04 0.00 0.00 0.00 0.00 179.25 178.78 1og0 h ALA 359 N 1.38 0.56 -0.90 0.00 0.00 -0.54 -2.26 119.26 117.50 1og0 h ALA 359 Ca 0.23 -0.24 0.20 0.00 0.00 0.00 0.00 54.91 55.10 1og0 h ALA 359 Cb 0.39 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1og0 h ALA 359 CO -0.51 0.31 0.60 0.00 0.00 0.00 0.00 179.25 179.65 1og0 h ALA 360 N 0.92 2.22 0.48 0.00 0.00 0.82 0.18 119.26 123.87 1og0 h ALA 360 Ca 0.12 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1og0 h ALA 360 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1og0 h ALA 360 CO 0.01 -0.50 -0.23 0.28 0.00 0.00 0.00 179.25 178.81 1og0 h VAL 361 N 0.40 0.06 -1.54 0.00 2.07 -1.05 -2.10 116.25 114.09 1og0 h VAL 361 Ca 0.47 -0.54 0.47 0.00 0.82 0.00 0.00 66.70 67.91 1og0 h VAL 361 Cb 1.18 0.10 -0.10 0.00 -1.52 0.00 0.00 31.29 30.95 1og0 h VAL 361 CO -0.17 0.01 1.06 -0.09 0.02 0.00 0.00 177.57 178.40 1og0 h ARG 362 N -1.15 0.05 0.28 1.57 9.65 -0.64 0.28 114.38 124.41 1og0 h ARG 362 Ca -0.07 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 1og0 h ARG 362 Cb 0.51 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 1og0 h ARG 362 CO 0.11 0.03 -0.13 0.37 2.80 0.00 0.00 179.97 183.15 1og0 h GLN 363 N 0.05 -0.36 -0.90 0.20 -0.00 -0.95 -3.33 115.11 109.82 1og0 h GLN 363 Ca 0.82 0.02 0.18 0.00 -0.00 0.00 0.00 58.65 59.67 1og0 h GLN 363 Cb 2.94 0.08 -0.17 0.00 0.00 0.00 0.00 27.48 30.33 1og0 h GLN 363 CO -0.19 -0.19 -0.22 -2.13 0.00 0.00 0.00 178.83 176.10 1og0 n ARG 364 N -5.02 -0.08 0.19 1.69 0.63 0.92 0.20 116.66 115.19 1og0 n ARG 364 Ca -0.05 1.41 0.18 0.00 -0.92 0.00 0.00 57.85 58.47 1og0 n ARG 364 Cb 0.17 -2.11 0.82 0.00 0.45 0.00 0.00 32.46 31.79 1og0 n ARG 364 CO 0.00 0.00 0.00 0.07 -2.51 0.00 0.00 177.63 175.19 1og0 h ARG 365 N 0.00 0.00 0.11 -0.14 0.11 -1.49 -0.45 114.38 112.52 1og0 h ARG 365 Ca 0.44 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.51 1og0 h ARG 365 Cb 0.67 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.75 1og0 h ARG 365 CO -0.93 0.00 -0.05 0.93 0.10 0.00 0.00 179.97 180.02 1og0 h GLU 366 N 0.00 -0.14 -0.66 0.08 4.39 0.21 -1.71 114.58 116.75 1og0 h GLU 366 Ca 0.11 0.01 0.19 0.00 0.34 0.00 0.00 59.36 60.01 1og0 h GLU 366 Cb 0.69 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.34 1og0 h GLU 366 CO -0.00 0.22 0.58 0.28 -1.16 0.00 0.00 179.01 178.93 1og0 h VAL 367 N -0.97 0.43 0.00 3.13 2.07 -0.94 0.70 116.25 120.66 1og0 h VAL 367 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1og0 h VAL 367 Cb 0.43 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1og0 h VAL 367 CO 0.02 0.00 -0.85 0.59 0.02 0.00 0.00 177.57 177.35 1og0 n ASN 368 N -3.92 0.64 0.12 0.57 3.02 -0.29 -4.34 115.26 111.06 1og0 n ASN 368 Ca 0.13 -0.32 -0.13 0.00 -0.03 0.00 0.00 54.58 54.23 1og0 n ASN 368 Cb 0.83 0.64 -0.08 0.00 -0.61 0.00 0.00 39.78 40.56 1og0 n ASN 368 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1og0 h LYS 369 N 0.00 -0.32 0.00 3.52 3.64 0.14 -3.50 116.57 120.05 1og0 h LYS 369 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1og0 h LYS 369 Cb 0.63 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1og0 h LYS 369 CO 0.00 0.01 0.00 1.17 -2.27 0.00 0.00 179.45 178.36