#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x04 s THR 27 N 0.00 3.50 0.05 2.61 2.01 -1.26 -5.04 115.64 117.51 1x04 s THR 27 Ca 0.00 1.27 0.06 0.00 0.31 0.00 0.00 61.69 63.33 1x04 s THR 27 Cb 0.00 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 1x04 s THR 27 CO 0.00 0.21 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.49 1x04 s LYS 28 N -0.31 2.27 -0.10 4.92 1.02 -1.26 -5.05 119.74 121.22 1x04 s LYS 28 Ca 0.53 -0.90 -0.08 0.00 0.02 0.00 0.00 55.97 55.53 1x04 s LYS 28 Cb -0.33 -2.34 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 1x04 s LYS 28 CO 0.37 0.55 0.18 -0.51 -0.92 0.00 0.00 175.35 175.03 1x04 s LEU 29 N -1.69 4.40 0.83 3.17 1.43 -1.26 -5.07 118.68 120.49 1x04 s LEU 29 Ca 0.18 0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 53.67 1x04 s LEU 29 Cb -0.11 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 1x04 s LEU 29 CO 0.09 0.39 0.38 -0.90 0.23 0.00 0.00 176.35 176.54 1x04 n ASP 30 N 1.99 -1.90 -0.06 2.29 5.75 -1.26 -4.68 116.55 118.69 1x04 n ASP 30 Ca -0.19 0.46 0.01 0.00 -0.01 0.00 0.00 54.79 55.06 1x04 n ASP 30 Cb 0.55 -1.18 0.32 0.00 -1.03 0.00 0.00 41.12 39.77 1x04 n ASP 30 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1x04 h ASP 31 N -0.89 0.59 -0.01 -1.12 3.32 -1.98 -1.30 116.42 115.03 1x04 h ASP 31 Ca -0.44 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 56.55 1x04 h ASP 31 Cb 1.32 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 1x04 h ASP 31 CO 0.38 0.53 -0.03 0.44 -1.72 0.00 0.00 179.24 178.84 1x04 h ASP 32 N 0.65 -0.08 -0.68 6.45 3.32 -1.99 0.38 116.42 124.46 1x04 h ASP 32 Ca 0.16 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.31 1x04 h ASP 32 Cb 0.12 0.04 -0.07 0.00 0.22 0.00 0.00 39.33 39.64 1x04 h ASP 32 CO -0.02 -0.04 0.34 0.15 -1.72 0.00 0.00 179.24 177.95 1x04 h PHE 33 N -0.05 0.61 0.15 4.55 3.04 -1.78 -2.59 116.94 120.87 1x04 h PHE 33 Ca 0.01 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 1x04 h PHE 33 Cb 0.07 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.41 1x04 h PHE 33 CO -0.11 0.23 -0.07 0.87 -2.02 0.00 0.00 178.31 177.21 1x04 h LYS 34 N 0.59 -0.20 -1.92 1.11 1.57 -0.35 -1.09 116.57 116.29 1x04 h LYS 34 Ca 0.33 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1x04 h LYS 34 Cb 0.33 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1x04 h LYS 34 CO -0.25 -0.01 0.00 -1.91 -0.57 0.00 0.00 179.45 176.70 1x04 n GLU 35 N -5.11 0.00 0.00 3.15 4.07 0.12 -0.98 120.64 121.89 1x04 n GLU 35 Ca -0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 1x04 n GLU 35 Cb 0.16 -1.41 0.00 0.00 -0.06 0.00 0.00 31.44 30.12 1x04 n GLU 35 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1x04 n GLU 37 N 0.99 0.00 0.11 5.31 2.13 -0.41 -1.52 120.64 127.25 1x04 n GLU 37 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 1x04 n GLU 37 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 1x04 n GLU 37 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1x04 h ARG 38 N 0.00 -0.31 -0.21 5.31 2.43 -1.34 0.76 114.38 121.03 1x04 h ARG 38 Ca 0.00 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1x04 h ARG 38 Cb 0.00 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.56 1x04 h ARG 38 CO 0.00 -0.20 -0.15 0.87 -1.51 0.00 0.00 179.97 178.97 1x04 h LYS 39 N -0.32 -0.15 -0.98 0.20 1.57 -1.55 0.77 116.57 116.12 1x04 h LYS 39 Ca 0.01 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.92 1x04 h LYS 39 Cb 0.31 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.57 1x04 h LYS 39 CO -0.05 -0.10 0.62 0.28 -0.57 0.00 0.00 179.45 179.64 1x04 h VAL 40 N -0.15 0.92 0.96 0.50 2.07 -1.71 -0.54 116.25 118.30 1x04 h VAL 40 Ca 0.12 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 1x04 h VAL 40 Cb 0.34 -0.12 0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1x04 h VAL 40 CO -0.31 0.17 -0.46 -0.78 0.02 0.00 0.00 177.57 176.22 1x04 h ASP 41 N 0.96 -1.10 -0.14 0.57 -0.00 0.13 -0.40 116.42 116.44 1x04 h ASP 41 Ca 0.48 0.04 0.02 0.00 -0.00 0.00 0.00 57.03 57.57 1x04 h ASP 41 Cb 0.50 0.28 -0.03 0.00 -0.00 0.00 0.00 39.33 40.09 1x04 h ASP 41 CO -0.25 -0.78 -0.19 0.58 -0.00 0.00 0.00 179.24 178.60 1x04 h VAL 42 N -1.29 0.00 -0.91 2.25 2.07 -0.57 0.11 116.25 117.91 1x04 h VAL 42 Ca -0.13 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.55 1x04 h VAL 42 Cb 0.99 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.60 1x04 h VAL 42 CO 0.22 0.00 -0.27 0.41 0.02 0.00 0.00 177.57 177.94 1x04 n THR 43 N -3.60 -0.42 -0.32 2.57 -1.04 -0.25 0.68 114.28 111.91 1x04 n THR 43 Ca -0.01 2.10 -0.04 0.00 -2.04 0.00 0.00 64.05 64.05 1x04 n THR 43 Cb 0.11 -2.85 0.08 0.00 -1.82 0.00 0.00 70.33 65.85 1x04 n THR 43 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1x04 h SER 44 N 0.00 1.09 -0.15 8.00 0.87 0.15 -0.36 113.55 123.15 1x04 h SER 44 Ca 0.39 -0.10 -0.22 0.00 -1.23 0.00 0.00 61.79 60.63 1x04 h SER 44 Cb 0.62 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1x04 h SER 44 CO -0.92 0.88 -0.76 0.03 -0.53 0.00 0.00 176.83 175.53 1x04 h ARG 45 N 1.21 0.80 0.69 2.24 3.08 0.25 -3.26 114.38 119.40 1x04 h ARG 45 Ca 0.30 -0.64 -0.03 0.00 0.07 0.00 0.00 59.98 59.68 1x04 h ARG 45 Cb 0.04 0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.22 1x04 h ARG 45 CO -0.05 1.25 -0.33 0.00 -1.07 0.00 0.00 179.97 179.77 1x04 h ALA 46 N 0.58 -0.93 0.00 0.04 0.00 0.51 -1.53 119.26 117.93 1x04 h ALA 46 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1x04 h ALA 46 Cb 1.39 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1x04 h ALA 46 CO 0.16 -1.02 0.00 0.28 0.00 0.00 0.00 179.25 178.67 1x04 n VAL 47 N -5.49 0.00 0.00 0.00 0.31 -0.17 -0.74 118.33 112.25 1x04 n VAL 47 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1x04 n VAL 47 Cb 0.38 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.03 1x04 n VAL 47 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1x04 n GLU 49 N 0.78 0.00 0.00 5.55 2.13 -0.58 -4.69 120.64 123.83 1x04 n GLU 49 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1x04 n GLU 49 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1x04 n GLU 49 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1x04 n ILE 50 N 0.00 0.00 0.00 6.31 2.08 0.08 -0.26 119.36 127.57 1x04 n ILE 50 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1x04 n ILE 50 Cb 0.00 -0.03 0.00 0.00 -0.75 0.00 0.00 39.64 38.86 1x04 n ILE 50 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 1x04 n THR 52 N 0.08 0.00 0.19 1.39 -1.04 -1.26 -1.21 114.28 112.43 1x04 n THR 52 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 1x04 n THR 52 Cb 0.00 0.00 0.38 0.00 -1.82 0.00 0.00 70.33 68.89 1x04 n THR 52 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1x04 h LYS 53 N 0.00 0.00 0.00 -2.82 1.57 -1.06 -1.12 116.57 113.14 1x04 h LYS 53 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1x04 h LYS 53 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1x04 h LYS 53 CO 0.00 0.37 -0.47 1.15 -0.57 0.00 0.00 179.45 179.92 1x04 h THR 54 N 0.00 1.08 0.03 -0.16 2.02 -1.37 0.39 112.91 114.90 1x04 h THR 54 Ca -0.00 -1.79 -0.25 0.00 0.77 0.00 0.00 66.41 65.13 1x04 h THR 54 Cb 0.76 2.04 0.01 0.00 -1.74 0.00 0.00 68.15 69.22 1x04 h THR 54 CO 0.05 0.46 -1.05 0.40 0.37 0.00 0.00 175.52 175.75 1x04 h ILE 55 N 0.00 1.35 -0.42 3.11 2.04 -1.62 -1.04 117.51 120.94 1x04 h ILE 55 Ca -0.00 -2.44 -0.10 0.00 1.00 0.00 0.00 64.86 63.32 1x04 h ILE 55 Cb 1.00 2.50 -0.02 0.00 -0.74 0.00 0.00 36.82 39.56 1x04 h ILE 55 CO 0.06 0.74 -0.13 -0.33 0.00 0.00 0.00 178.15 178.48 1x04 h GLU 56 N 0.27 0.76 0.25 2.37 5.08 -0.99 -1.67 114.58 120.65 1x04 h GLU 56 Ca -0.12 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1x04 h GLU 56 Cb 1.70 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.89 1x04 h GLU 56 CO 0.19 0.86 -0.12 -0.92 -1.00 0.00 0.00 179.01 178.02 1x04 h TYR 57 N 0.68 -0.31 0.00 4.33 3.20 -0.82 -2.03 116.97 122.04 1x04 h TYR 57 Ca 0.11 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1x04 h TYR 57 Cb 0.62 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.99 1x04 h TYR 57 CO 0.03 -0.14 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.33 1x04 h LEU 58 N -0.39 0.00 0.37 2.82 3.38 -0.98 -0.51 115.31 120.00 1x04 h LEU 58 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1x04 h LEU 58 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1x04 h LEU 58 CO 0.06 0.00 -0.18 0.00 0.09 0.00 0.00 178.44 178.41 1x04 h ALA 59 N 2.00 -0.50 -0.22 1.53 0.00 -0.59 -1.97 119.26 119.51 1x04 h ALA 59 Ca -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1x04 h ALA 59 Cb 0.16 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1x04 h ALA 59 CO 0.00 -0.59 0.01 0.45 0.00 0.00 0.00 179.25 179.12 1x04 h HIS 60 N -0.89 0.32 -0.58 0.00 3.86 -1.02 -0.25 115.15 116.60 1x04 h HIS 60 Ca -0.05 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1x04 h HIS 60 Cb 0.54 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.88 1x04 h HIS 60 CO 0.02 0.33 0.35 1.25 0.86 0.00 0.00 177.93 180.75 1x04 h LEU 61 N 0.32 0.69 -0.53 2.43 5.85 -1.05 0.21 115.31 123.22 1x04 h LEU 61 Ca 0.07 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1x04 h LEU 61 Cb 0.21 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1x04 h LEU 61 CO 0.00 0.54 0.15 -1.28 -0.34 0.00 0.00 178.44 177.51 1x04 h SER 62 N 0.78 0.79 -0.25 1.25 0.87 -0.52 0.15 113.55 116.61 1x04 h SER 62 Ca 0.21 -0.22 0.03 0.00 -1.23 0.00 0.00 61.79 60.58 1x04 h SER 62 Cb -0.02 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.70 1x04 h SER 62 CO -0.04 0.80 0.05 -1.28 -0.53 0.00 0.00 176.83 175.83 1x04 h SER 63 N 0.74 0.01 -0.09 6.23 0.87 -0.36 0.79 113.55 121.73 1x04 h SER 63 Ca 0.17 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1x04 h SER 63 Cb 0.31 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1x04 h SER 63 CO -0.00 0.04 -0.01 0.25 -0.53 0.00 0.00 176.83 176.58 1x04 h LEU 64 N 0.14 0.17 -0.90 2.23 5.85 -0.46 -2.17 115.31 120.18 1x04 h LEU 64 Ca 0.12 -0.33 0.19 0.00 0.84 0.00 0.00 57.88 58.70 1x04 h LEU 64 Cb 0.12 -0.04 -0.11 0.00 0.37 0.00 0.00 40.66 40.99 1x04 h LEU 64 CO -0.16 0.45 0.45 0.25 -0.34 0.00 0.00 178.44 179.10 1x04 h LEU 65 N -0.13 0.48 0.62 2.25 5.85 -0.43 0.44 115.31 124.39 1x04 h LEU 65 Ca 0.03 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1x04 h LEU 65 Cb 0.37 0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.47 1x04 h LEU 65 CO 0.01 0.12 -0.30 -0.61 -0.34 0.00 0.00 178.44 177.31 1x04 h GLN 66 N 0.53 -0.81 -0.94 1.25 4.15 -0.63 -2.11 115.11 116.56 1x04 h GLN 66 Ca 0.53 0.06 0.19 0.00 0.77 0.00 0.00 58.65 60.20 1x04 h GLN 66 Cb 0.91 0.18 -0.08 0.00 0.21 0.00 0.00 27.48 28.70 1x04 h GLN 66 CO -0.45 -0.49 0.60 0.00 -1.93 0.00 0.00 178.83 176.56 1x04 h ALA 67 N -0.74 1.97 0.85 3.38 0.00 -0.60 -0.77 119.26 123.35 1x04 h ALA 67 Ca -0.09 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1x04 h ALA 67 Cb 0.69 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1x04 h ALA 67 CO 0.14 -0.28 -0.41 1.49 0.00 0.00 0.00 179.25 180.19 1x04 h GLU 68 N 0.58 -1.10 -1.01 0.00 4.81 -0.01 -1.61 114.58 116.24 1x04 h GLU 68 Ca 0.50 0.08 0.24 0.00 -0.13 0.00 0.00 59.36 60.05 1x04 h GLU 68 Cb 1.00 0.25 -0.10 0.00 0.63 0.00 0.00 28.75 30.54 1x04 h GLU 68 CO -0.24 -0.74 0.64 0.00 -0.73 0.00 0.00 179.01 177.94 1x04 h ALA 69 N -1.44 2.04 0.37 2.92 0.00 -0.58 0.13 119.26 122.70 1x04 h ALA 69 Ca -0.12 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1x04 h ALA 69 Cb 0.88 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1x04 h ALA 69 CO 0.19 -0.43 -0.18 -0.07 0.00 0.00 0.00 179.25 178.76 1x04 h LEU 70 N 0.50 -0.42 -0.70 0.00 3.38 -0.89 0.75 115.31 117.93 1x04 h LEU 70 Ca 0.59 -0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.60 1x04 h LEU 70 Cb 1.29 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 42.07 1x04 h LEU 70 CO -0.33 -0.20 0.31 0.25 0.09 0.00 0.00 178.44 178.56 1x04 h LEU 71 N -0.63 0.35 -0.72 1.67 5.85 -0.23 0.45 115.31 122.06 1x04 h LEU 71 Ca -0.05 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.82 1x04 h LEU 71 Cb 0.46 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 1x04 h LEU 71 CO 0.08 0.18 0.41 0.00 -0.34 0.00 0.00 178.44 178.77 1x04 h ALA 72 N 1.47 0.99 0.12 1.25 0.00 -0.41 -2.75 119.26 119.92 1x04 h ALA 72 Ca 0.36 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1x04 h ALA 72 Cb 0.46 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1x04 h ALA 72 CO -0.32 0.07 -0.06 1.49 0.00 0.00 0.00 179.25 180.43 1x04 h GLU 73 N 0.73 -0.16 -0.37 0.00 4.57 0.78 -1.77 114.58 118.36 1x04 h GLU 73 Ca 0.33 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.52 1x04 h GLU 73 Cb 0.24 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1x04 h GLU 73 CO -0.20 0.21 0.00 0.00 -1.18 0.00 0.00 179.01 177.84 1x04 n ALA 74 N -2.38 0.46 0.00 2.92 0.00 -0.01 0.54 120.51 122.04 1x04 n ALA 74 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1x04 n ALA 74 Cb 0.23 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.27 1x04 n ALA 74 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1x04 n LEU 76 N 0.33 0.00 0.00 0.00 4.77 -0.67 -1.87 117.00 119.56 1x04 n LEU 76 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1x04 n LEU 76 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1x04 n LEU 76 CO 0.00 0.00 0.20 1.17 -1.33 0.00 0.00 177.39 177.43 1x04 n LYS 77 N 0.00 0.00 -0.11 3.23 4.81 0.19 -3.03 118.16 123.25 1x04 n LYS 77 Ca 0.00 0.48 0.20 0.00 -0.87 0.00 0.00 58.31 58.11 1x04 n LYS 77 Cb 0.00 -1.18 0.61 0.00 0.02 0.00 0.00 35.03 34.48 1x04 n LYS 77 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 1x04 h PHE 78 N 0.00 0.22 0.00 5.64 -1.00 -1.62 0.83 116.94 121.02 1x04 h PHE 78 Ca 0.00 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 1x04 h PHE 78 Cb 0.00 -0.07 -0.00 0.00 3.61 0.00 0.00 35.95 39.49 1x04 h PHE 78 CO 0.09 0.08 -0.07 0.78 -1.61 0.00 0.00 178.31 177.58 1x04 h GLY 79 N 0.19 0.00 0.00 -1.45 0.00 -1.79 0.75 103.07 100.77 1x04 h GLY 79 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1x04 h GLY 79 CO -0.06 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.35 1x04 n ARG 80 N -3.39 0.00 -0.32 4.80 0.63 0.28 -3.42 116.66 115.24 1x04 n ARG 80 Ca -0.01 0.39 -0.05 0.00 -0.92 0.00 0.00 57.85 57.26 1x04 n ARG 80 Cb 0.23 -0.95 0.00 0.00 0.45 0.00 0.00 32.46 32.19 1x04 n ARG 80 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1x04 h GLU 81 N 0.00 -0.07 -1.12 -0.14 4.81 -1.29 0.64 114.58 117.41 1x04 h GLU 81 Ca 0.00 0.00 0.31 0.00 -0.13 0.00 0.00 59.36 59.55 1x04 h GLU 81 Cb 0.00 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.30 1x04 h GLU 81 CO 0.00 -0.05 0.73 1.25 -0.73 0.00 0.00 179.01 180.22 1x04 h LEU 82 N -0.08 0.34 0.00 1.64 5.85 -1.03 -3.47 115.31 118.57 1x04 h LEU 82 Ca 0.27 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1x04 h LEU 82 Cb 0.56 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1x04 h LEU 82 CO -0.87 0.02 0.00 0.61 -0.34 0.00 0.00 178.44 177.86 1x04 n GLY 83 N -1.53 1.41 0.98 3.75 0.00 0.22 -4.83 105.19 105.19 1x04 n GLY 83 Ca 0.28 -1.87 0.10 0.00 0.00 0.00 0.00 46.02 44.53 1x04 n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1x04 n ASP 84 N -0.28 3.15 0.00 1.61 3.85 -1.26 -4.17 116.55 119.46 1x04 n ASP 84 Ca 0.00 -1.92 0.07 0.00 -0.71 0.00 0.00 54.79 52.23 1x04 n ASP 84 Cb 0.00 -0.19 0.32 0.00 -1.35 0.00 0.00 41.12 39.90 1x04 n ASP 84 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 1x04 n ASP 85 N 1.24 0.00 0.00 -1.12 5.75 -1.26 -4.76 116.55 116.40 1x04 n ASP 85 Ca 0.16 0.40 0.00 0.00 -0.01 0.00 0.00 54.79 55.34 1x04 n ASP 85 Cb 0.54 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 1x04 n ASP 85 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1x04 n ASN 87 N 0.00 0.97 0.27 0.00 5.03 -1.26 -4.66 115.26 115.60 1x04 n ASN 87 Ca 0.00 0.17 0.09 0.00 0.87 0.00 0.00 54.58 55.71 1x04 n ASN 87 Cb 0.00 -0.40 0.69 0.00 -1.02 0.00 0.00 39.78 39.05 1x04 n ASN 87 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 1x04 h PHE 88 N -0.48 0.00 0.56 3.10 3.57 -1.97 -2.60 116.94 119.11 1x04 h PHE 88 Ca -0.33 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.14 1x04 h PHE 88 Cb 1.27 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.01 1x04 h PHE 88 CO -0.05 0.02 -0.27 0.78 -2.23 0.00 0.00 178.31 176.56 1x04 h GLY 89 N 0.07 -0.78 2.00 2.40 0.00 -1.83 -1.50 103.07 103.43 1x04 h GLY 89 Ca -0.00 0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 1x04 h GLY 89 CO 0.00 -0.29 -0.07 -0.56 0.00 0.00 0.00 176.54 175.63 1x04 h PRO 90 N -0.85 0.00 -0.21 4.80 0.13 -1.76 -2.74 132.00 131.38 1x04 h PRO 90 Ca -0.08 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.93 1x04 h PRO 90 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 1x04 h PRO 90 CO 0.13 0.07 -0.37 0.00 -0.23 0.00 0.00 178.00 177.59 1x04 h ALA 91 N 1.93 0.32 0.00 -0.56 0.00 -1.45 0.17 119.26 119.68 1x04 h ALA 91 Ca -0.00 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1x04 h ALA 91 Cb 0.43 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1x04 h ALA 91 CO 0.01 0.40 -0.01 -0.07 0.00 0.00 0.00 179.25 179.58 1x04 h LEU 92 N 0.30 0.00 0.15 0.00 3.38 -0.97 0.90 115.31 119.06 1x04 h LEU 92 Ca 0.01 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.64 1x04 h LEU 92 Cb 0.97 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1x04 h LEU 92 CO 0.08 0.01 -1.76 1.23 0.09 0.00 0.00 178.44 178.09 1x04 h GLY 93 N 0.60 0.36 0.67 0.83 0.00 -1.25 -1.21 103.07 103.08 1x04 h GLY 93 Ca -0.00 -0.91 -0.00 0.00 0.00 0.00 0.00 47.33 46.41 1x04 h GLY 93 CO 0.00 0.80 -0.00 0.83 0.00 0.00 0.00 176.54 178.17 1x04 h GLU 94 N 0.09 0.00 0.00 4.80 5.08 -0.06 -2.33 114.58 122.15 1x04 h GLU 94 Ca -0.34 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.95 1x04 h GLU 94 Cb 2.06 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.30 1x04 h GLU 94 CO 0.15 0.33 -0.33 0.28 -1.00 0.00 0.00 179.01 178.44 1x04 h VAL 95 N -0.33 0.78 0.57 3.13 2.07 -1.02 -2.96 116.25 118.49 1x04 h VAL 95 Ca 0.00 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.08 1x04 h VAL 95 Cb 0.33 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1x04 h VAL 95 CO 0.00 0.32 -0.31 1.23 0.02 0.00 0.00 177.57 178.83 1x04 h GLY 96 N 2.12 -0.86 1.39 2.17 0.00 -0.87 -3.14 103.07 103.89 1x04 h GLY 96 Ca -0.00 0.34 -0.15 0.00 0.00 0.00 0.00 47.33 47.52 1x04 h GLY 96 CO 0.04 -0.31 -0.43 0.83 0.00 0.00 0.00 176.54 176.67 1x04 h GLU 97 N -0.82 0.66 -0.06 4.80 5.08 -1.49 -2.78 114.58 119.97 1x04 h GLU 97 Ca -0.07 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1x04 h GLU 97 Cb 0.65 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1x04 h GLU 97 CO 0.10 0.97 0.00 0.00 -1.00 0.00 0.00 179.01 179.08 1x04 n ALA 98 N -2.52 0.66 0.00 3.43 0.00 -1.12 0.01 120.51 120.97 1x04 n ALA 98 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1x04 n ALA 98 Cb 0.54 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.34 1x04 n ALA 98 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1x04 n ARG 100 N 0.35 0.00 -0.13 0.00 0.63 -1.05 -1.83 116.66 114.62 1x04 n ARG 100 Ca 0.00 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.83 1x04 n ARG 100 Cb 0.00 0.00 0.03 0.00 0.45 0.00 0.00 32.46 32.94 1x04 n ARG 100 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1x04 h GLU 101 N 0.00 0.92 -0.64 -0.14 4.81 -0.72 -1.52 114.58 117.30 1x04 h GLU 101 Ca 0.00 -0.39 0.03 0.00 -0.13 0.00 0.00 59.36 58.87 1x04 h GLU 101 Cb 0.00 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 1x04 h GLU 101 CO 0.00 1.05 0.38 -0.07 -0.73 0.00 0.00 179.01 179.64 1x04 h LEU 102 N 0.79 0.62 -0.25 1.64 3.38 -1.60 -1.40 115.31 118.49 1x04 h LEU 102 Ca 0.10 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.14 1x04 h LEU 102 Cb 0.79 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 1x04 h LEU 102 CO 0.07 0.42 -0.17 -1.28 0.09 0.00 0.00 178.44 177.57 1x04 h SER 103 N 0.75 -0.55 0.12 -0.43 0.87 -1.70 -0.87 113.55 111.74 1x04 h SER 103 Ca 0.26 0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.90 1x04 h SER 103 Cb 0.05 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 1x04 h SER 103 CO -0.12 -0.21 -0.15 -0.33 -0.53 0.00 0.00 176.83 175.49 1x04 h GLU 104 N -0.16 0.06 -0.05 2.24 5.08 -0.61 -1.33 114.58 119.81 1x04 h GLU 104 Ca 0.14 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 1x04 h GLU 104 Cb 0.37 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1x04 h GLU 104 CO -0.34 0.21 -0.54 0.28 -1.00 0.00 0.00 179.01 177.62 1x04 h VAL 105 N 0.06 1.37 -0.43 3.13 2.07 -0.29 -2.12 116.25 120.05 1x04 h VAL 105 Ca 0.01 -1.84 -0.08 0.00 0.82 0.00 0.00 66.70 65.61 1x04 h VAL 105 Cb 0.30 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1x04 h VAL 105 CO 0.02 0.54 -0.07 0.11 0.02 0.00 0.00 177.57 178.19 1x04 h LYS 106 N 0.12 0.73 -0.30 1.57 1.57 -0.05 -1.91 116.57 118.31 1x04 h LYS 106 Ca 0.00 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.45 1x04 h LYS 106 Cb 0.99 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1x04 h LYS 106 CO 0.08 0.79 -0.26 0.22 -0.57 0.00 0.00 179.45 179.71 1x04 h ASP 107 N 0.67 0.60 -0.65 0.86 1.82 -1.03 -1.81 116.42 116.89 1x04 h ASP 107 Ca 0.12 -0.22 -0.08 0.00 -0.39 0.00 0.00 57.03 56.47 1x04 h ASP 107 Cb 0.52 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 40.34 1x04 h ASP 107 CO 0.03 0.85 0.11 -1.28 -1.61 0.00 0.00 179.24 177.34 1x04 h SER 108 N 0.52 1.03 -0.75 2.28 0.87 -1.03 -2.78 113.55 113.69 1x04 h SER 108 Ca 0.07 -0.24 0.01 0.00 -1.23 0.00 0.00 61.79 60.40 1x04 h SER 108 Cb 0.72 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.37 1x04 h SER 108 CO 0.06 1.02 0.49 0.25 -0.53 0.00 0.00 176.83 178.11 1x04 h LEU 109 N 1.01 0.86 0.52 2.23 5.85 -0.80 -1.12 115.31 123.86 1x04 h LEU 109 Ca 0.20 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1x04 h LEU 109 Cb 0.42 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1x04 h LEU 109 CO 0.01 0.63 -0.47 -0.78 -0.34 0.00 0.00 178.44 177.49 1x04 h ASP 110 N 1.01 -1.27 -0.98 1.25 3.58 -1.09 -0.91 116.42 118.02 1x04 h ASP 110 Ca 0.27 0.10 0.24 0.00 0.42 0.00 0.00 57.03 58.06 1x04 h ASP 110 Cb -0.11 0.41 -0.12 0.00 1.72 0.00 0.00 39.33 41.23 1x04 h ASP 110 CO -0.06 -0.64 0.55 0.40 -2.88 0.00 0.00 179.24 176.61 1x04 h ILE 111 N -0.98 0.53 0.73 2.25 2.04 -1.27 0.46 117.51 121.28 1x04 h ILE 111 Ca -0.07 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 1x04 h ILE 111 Cb 0.83 -0.07 0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1x04 h ILE 111 CO -0.03 0.10 -0.35 -0.33 0.00 0.00 0.00 178.15 177.54 1x04 h GLU 112 N 0.55 -0.94 -0.36 2.37 4.39 -0.66 -2.17 114.58 117.76 1x04 h GLU 112 Ca 0.62 0.06 0.06 0.00 0.34 0.00 0.00 59.36 60.45 1x04 h GLU 112 Cb 1.17 0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 29.97 1x04 h GLU 112 CO -0.48 -0.60 0.01 0.28 -1.16 0.00 0.00 179.01 177.05 1x04 h VAL 113 N -1.13 0.74 -0.02 3.13 2.07 -0.59 -0.71 116.25 119.74 1x04 h VAL 113 Ca -0.10 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1x04 h VAL 113 Cb 0.77 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1x04 h VAL 113 CO 0.16 0.02 -0.29 0.50 0.02 0.00 0.00 177.57 177.98 1x04 h LYS 114 N 0.11 -0.42 -0.01 1.57 1.63 -0.92 -0.67 116.57 117.86 1x04 h LYS 114 Ca 0.17 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 1x04 h LYS 114 Cb 0.24 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 1x04 h LYS 114 CO -0.28 -0.28 -0.31 0.00 -3.45 0.00 0.00 179.45 175.13 1x04 n GLN 115 N -5.40 0.65 -0.00 1.90 10.64 -0.82 -1.25 117.38 123.10 1x04 n GLN 115 Ca -0.05 -0.38 0.02 0.00 -1.83 0.00 0.00 57.00 54.77 1x04 n GLN 115 Cb 0.31 -1.49 0.02 0.00 -0.86 0.00 0.00 30.24 28.22 1x04 n GLN 115 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1x04 n ASN 116 N -0.84 1.41 0.08 2.61 5.03 -0.29 -4.60 115.26 118.66 1x04 n ASN 116 Ca 0.11 -1.22 0.00 0.00 0.87 0.00 0.00 54.58 54.34 1x04 n ASN 116 Cb 0.34 -0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.10 1x04 n ASN 116 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1x04 n PHE 117 N 0.24 -1.35 0.39 3.10 7.35 -0.31 -4.70 117.46 122.17 1x04 n PHE 117 Ca 0.03 0.24 -0.15 0.00 -0.76 0.00 0.00 57.45 56.80 1x04 n PHE 117 Cb 0.12 0.46 -0.07 0.00 0.35 0.00 0.00 39.48 40.33 1x04 n PHE 117 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1x04 h ILE 118 N 0.00 0.00 -0.88 -2.13 2.04 -1.34 -2.61 117.51 112.59 1x04 h ILE 118 Ca 0.00 -0.17 0.18 0.00 1.00 0.00 0.00 64.86 65.87 1x04 h ILE 118 Cb 0.07 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.04 1x04 h ILE 118 CO 0.00 0.00 0.43 0.44 0.00 0.00 0.00 178.15 179.02 1x04 h ASP 119 N -1.17 0.46 -0.18 1.72 3.32 -1.44 0.20 116.42 119.33 1x04 h ASP 119 Ca -0.10 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1x04 h ASP 119 Cb 0.77 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 1x04 h ASP 119 CO 0.17 0.13 0.10 -0.65 -1.72 0.00 0.00 179.24 177.27 1x04 h PRO 120 N 0.54 0.26 -0.86 3.56 0.11 -1.81 0.28 132.00 134.07 1x04 h PRO 120 Ca 0.51 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.58 1x04 h PRO 120 Cb 0.84 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.86 1x04 h PRO 120 CO -0.43 0.25 0.49 -0.07 -0.21 0.00 0.00 178.00 178.03 1x04 h LEU 121 N 0.20 1.05 -0.40 2.35 3.38 -0.77 0.08 115.31 121.19 1x04 h LEU 121 Ca 0.06 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1x04 h LEU 121 Cb 0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1x04 h LEU 121 CO -0.01 0.83 0.19 -0.61 0.09 0.00 0.00 178.44 178.93 1x04 h GLN 122 N 1.20 0.58 -0.18 1.13 5.75 -0.33 -0.83 115.11 122.43 1x04 h GLN 122 Ca 0.31 -0.09 -0.05 0.00 -0.15 0.00 0.00 58.65 58.67 1x04 h GLN 122 Cb -0.01 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.42 1x04 h GLN 122 CO -0.05 0.51 -0.09 -0.97 -2.65 0.00 0.00 178.83 175.58 1x04 h ASN 123 N 0.51 0.26 -0.11 -0.69 -1.24 -0.30 -0.66 115.58 113.35 1x04 h ASN 123 Ca 0.14 -0.05 -0.10 0.00 0.71 0.00 0.00 56.30 57.00 1x04 h ASN 123 Cb 0.13 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 1x04 h ASN 123 CO -0.02 0.39 -0.24 0.25 -1.29 0.00 0.00 177.43 176.52 1x04 h LEU 124 N 0.27 0.55 -0.21 0.34 5.85 -0.23 -1.30 115.31 120.59 1x04 h LEU 124 Ca 0.06 -0.19 -0.21 0.00 0.84 0.00 0.00 57.88 58.37 1x04 h LEU 124 Cb 0.33 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1x04 h LEU 124 CO 0.02 0.79 -0.93 -0.74 -0.34 0.00 0.00 178.44 177.24 1x04 h HIS 125 N 0.49 0.44 -0.01 1.25 2.76 -0.28 -0.40 115.15 119.40 1x04 h HIS 125 Ca 0.07 -0.25 0.00 0.00 -2.20 0.00 0.00 60.37 57.99 1x04 h HIS 125 Cb 0.68 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.59 1x04 h HIS 125 CO 0.03 1.07 -0.32 -0.25 -1.30 0.00 0.00 177.93 177.15 1x04 n ASP 126 N -3.69 0.97 0.00 3.26 8.00 -0.34 -2.63 116.55 122.12 1x04 n ASP 126 Ca -0.05 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.65 1x04 n ASP 126 Cb 0.83 0.18 0.00 0.00 -0.02 0.00 0.00 41.12 42.12 1x04 n ASP 126 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1x04 n LYS 127 N -0.79 0.00 0.04 -1.24 3.00 -0.50 -4.70 118.16 113.96 1x04 n LYS 127 Ca 0.11 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.29 1x04 n LYS 127 Cb 0.35 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.30 1x04 n LYS 127 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1x04 h ASP 128 N 0.00 -0.03 -0.41 3.14 3.32 -1.66 -1.76 116.42 119.03 1x04 h ASP 128 Ca 0.00 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 1x04 h ASP 128 Cb 0.00 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1x04 h ASP 128 CO 0.00 0.11 0.05 -0.07 -1.72 0.00 0.00 179.24 177.61 1x04 h LEU 129 N -0.16 0.66 -0.09 1.55 3.38 -1.26 -1.81 115.31 117.59 1x04 h LEU 129 Ca -0.00 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.71 1x04 h LEU 129 Cb 0.15 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1x04 h LEU 129 CO 0.01 0.77 -0.01 -0.09 0.09 0.00 0.00 178.44 179.20 1x04 h ARG 130 N 0.53 0.02 -0.89 1.13 2.43 -1.49 -1.19 114.38 114.92 1x04 h ARG 130 Ca 0.12 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.36 1x04 h ARG 130 Cb 0.39 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.88 1x04 h ARG 130 CO 0.01 0.01 0.58 1.49 -1.51 0.00 0.00 179.97 180.55 1x04 h GLU 131 N 0.02 0.97 -0.06 0.20 4.81 -1.20 -0.60 114.58 118.72 1x04 h GLU 131 Ca 0.04 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1x04 h GLU 131 Cb 0.05 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 1x04 h GLU 131 CO -0.08 0.64 0.01 0.82 -0.73 0.00 0.00 179.01 179.67 1x04 h ILE 132 N 1.00 1.22 -0.98 2.32 2.04 -0.78 -1.36 117.51 120.96 1x04 h ILE 132 Ca 0.39 -0.67 0.16 0.00 1.00 0.00 0.00 64.86 65.74 1x04 h ILE 132 Cb 0.22 1.54 -0.10 0.00 -0.74 0.00 0.00 36.82 37.75 1x04 h ILE 132 CO -0.15 0.18 0.59 -0.61 0.00 0.00 0.00 178.15 178.17 1x04 h GLN 133 N -0.14 0.80 0.77 2.37 4.15 -0.56 0.17 115.11 122.67 1x04 h GLN 133 Ca 0.02 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 1x04 h GLN 133 Cb 0.28 -0.18 0.01 0.00 0.21 0.00 0.00 27.48 27.80 1x04 h GLN 133 CO 0.00 0.53 -0.37 1.25 -1.93 0.00 0.00 178.83 178.31 1x04 h HIS 134 N 0.82 -0.95 -0.97 3.99 2.76 -0.75 -1.60 115.15 118.44 1x04 h HIS 134 Ca 0.53 -0.02 0.22 0.00 -2.20 0.00 0.00 60.37 58.90 1x04 h HIS 134 Cb 0.72 0.32 -0.12 0.00 1.55 0.00 0.00 27.41 29.88 1x04 h HIS 134 CO -0.02 -0.58 0.55 0.45 -1.30 0.00 0.00 177.93 177.04 1x04 h HIS 135 N -1.19 0.95 -0.41 5.26 3.86 -0.48 0.18 115.15 123.33 1x04 h HIS 135 Ca -0.11 0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.07 1x04 h HIS 135 Cb 0.81 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 1x04 h HIS 135 CO -0.00 0.11 -0.03 -0.07 0.86 0.00 0.00 177.93 178.80 1x04 h LEU 136 N 0.61 0.64 -0.11 2.43 3.38 -0.50 0.13 115.31 121.89 1x04 h LEU 136 Ca 0.60 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.37 1x04 h LEU 136 Cb 1.05 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1x04 h LEU 136 CO -0.45 0.73 -0.11 0.50 0.09 0.00 0.00 178.44 179.20 1x04 h LYS 137 N 0.63 0.27 -0.73 1.13 3.64 0.29 -1.68 116.57 120.12 1x04 h LYS 137 Ca 0.12 -0.14 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1x04 h LYS 137 Cb 0.44 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 1x04 h LYS 137 CO 0.02 0.68 0.48 0.87 -2.27 0.00 0.00 179.45 179.24 1x04 h LYS 138 N -0.13 0.86 -0.35 1.90 1.57 -0.84 -0.36 116.57 119.20 1x04 h LYS 138 Ca 0.02 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1x04 h LYS 138 Cb 0.64 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1x04 h LYS 138 CO 0.03 0.57 0.07 1.25 -0.57 0.00 0.00 179.45 180.80 1x04 h LEU 139 N 0.88 0.55 -0.34 2.94 5.85 -0.52 -1.25 115.31 123.42 1x04 h LEU 139 Ca 0.29 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1x04 h LEU 139 Cb 0.07 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1x04 h LEU 139 CO -0.08 0.65 0.21 -0.08 -0.34 0.00 0.00 178.44 178.80 1x04 h GLU 140 N 0.42 0.42 0.31 1.25 4.57 -0.39 0.92 114.58 122.08 1x04 h GLU 140 Ca 0.11 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1x04 h GLU 140 Cb 0.33 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.79 1x04 h GLU 140 CO 0.00 0.28 -0.37 0.78 -1.18 0.00 0.00 179.01 178.52 1x04 h GLY 141 N 0.43 -0.84 1.64 1.92 0.00 -0.92 0.77 103.07 106.06 1x04 h GLY 141 Ca 0.13 0.43 0.05 0.00 0.00 0.00 0.00 47.33 47.94 1x04 h GLY 141 CO -0.05 -0.30 0.13 3.21 0.00 0.00 0.00 176.54 179.54 1x04 h ARG 142 N -0.73 0.00 0.08 4.80 2.47 -0.99 0.84 114.38 120.85 1x04 h ARG 142 Ca -0.01 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1x04 h ARG 142 Cb 0.68 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.00 1x04 h ARG 142 CO -0.10 0.00 -0.04 -0.09 0.56 0.00 0.00 179.97 180.30 1x04 h ARG 143 N 0.00 -0.10 -0.58 0.04 2.43 0.23 -2.52 114.38 113.88 1x04 h ARG 143 Ca 0.08 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.31 1x04 h ARG 143 Cb 0.34 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 1x04 h ARG 143 CO -0.00 0.45 0.30 -0.07 -1.51 0.00 0.00 179.97 179.13 1x04 h LEU 144 N -0.77 0.42 -1.46 3.80 3.38 -0.29 -0.87 115.31 119.52 1x04 h LEU 144 Ca -0.01 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1x04 h LEU 144 Cb 0.59 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1x04 h LEU 144 CO 0.02 0.28 0.13 -0.78 0.09 0.00 0.00 178.44 178.18 1x04 h ASP 145 N 0.56 0.44 -0.05 -0.43 3.58 -0.91 -1.18 116.42 118.43 1x04 h ASP 145 Ca 0.26 -0.04 -0.25 0.00 0.42 0.00 0.00 57.03 57.41 1x04 h ASP 145 Cb 0.18 -0.11 0.02 0.00 1.72 0.00 0.00 39.33 41.14 1x04 h ASP 145 CO -0.18 0.42 -0.96 0.15 -2.88 0.00 0.00 179.24 175.78 1x04 h PHE 146 N 0.49 1.06 -0.52 0.28 3.57 -0.91 -1.42 116.94 119.49 1x04 h PHE 146 Ca 0.12 -0.54 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 1x04 h PHE 146 Cb 0.12 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 1x04 h PHE 146 CO 0.00 1.38 0.32 -0.44 -2.23 0.00 0.00 178.31 177.34 1x04 h ASP 147 N 0.45 0.61 0.50 0.41 3.32 -0.61 0.53 116.42 121.62 1x04 h ASP 147 Ca -0.11 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 1x04 h ASP 147 Cb 1.61 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 41.01 1x04 h ASP 147 CO 0.19 0.47 -0.24 0.22 -1.72 0.00 0.00 179.24 178.16 1x04 h TYR 148 N 0.71 -0.62 0.00 4.55 3.20 -1.18 -2.49 116.97 121.15 1x04 h TYR 148 Ca 0.19 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1x04 h TYR 148 Cb -0.04 0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1x04 h TYR 148 CO 0.00 -0.39 0.07 0.87 -1.64 0.00 0.00 178.16 177.08 1x04 h LYS 149 N -1.18 0.00 0.11 1.82 1.57 -1.09 0.10 116.57 117.90 1x04 h LYS 149 Ca -0.07 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.46 1x04 h LYS 149 Cb 0.52 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.85 1x04 h LYS 149 CO 0.11 0.00 -1.05 -0.22 -0.57 0.00 0.00 179.45 177.72 1x04 h LYS 150 N 0.00 0.51 -0.53 3.15 1.63 -0.86 -3.25 116.57 117.21 1x04 h LYS 150 Ca 0.00 -0.70 0.11 0.00 -0.85 0.00 0.00 60.65 59.20 1x04 h LYS 150 Cb 0.15 0.24 -0.10 0.00 -0.60 0.00 0.00 32.23 31.91 1x04 h LYS 150 CO 0.00 1.31 -0.19 0.87 -3.45 0.00 0.00 179.45 177.99 1x04 h LYS 151 N 0.05 -0.06 -2.67 1.90 1.57 -0.32 -1.86 116.57 115.18 1x04 h LYS 151 Ca -0.16 0.00 -0.75 0.00 -1.87 0.00 0.00 60.65 57.87 1x04 h LYS 151 Cb 1.77 0.01 -0.15 0.00 0.08 0.00 0.00 32.23 33.95 1x04 h LYS 151 CO 0.20 -0.04 2.20 2.89 -0.57 0.00 0.00 179.45 184.13 1x04 n ARG 152 N -5.40 4.59 0.26 3.15 1.85 -1.13 -4.78 116.66 115.20 1x04 n ARG 152 Ca 0.05 -3.62 -0.15 0.00 -1.00 0.00 0.00 57.85 53.13 1x04 n ARG 152 Cb 0.31 -2.64 -0.08 0.00 -1.05 0.00 0.00 32.46 29.00 1x04 n ARG 152 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 1x04 h GLN 153 N 4.69 -0.62 -0.01 2.89 4.15 -1.43 -1.71 115.11 123.07 1x04 h GLN 153 Ca 0.65 0.04 -0.14 0.00 0.77 0.00 0.00 58.65 59.97 1x04 h GLN 153 Cb 0.34 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.16 1x04 h GLN 153 CO 1.46 -0.35 -0.64 0.78 -1.93 0.00 0.00 178.83 178.14 1x04 h GLY 154 N -0.79 0.04 1.16 2.39 0.00 -1.88 -3.24 103.07 100.75 1x04 h GLY 154 Ca -0.07 -0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.12 1x04 h GLY 154 CO 0.11 0.05 -0.00 0.50 0.00 0.00 0.00 176.54 177.19 1x04 h LYS 155 N 0.03 1.01 -5.91 4.80 1.79 -1.92 -3.44 116.57 112.93 1x04 h LYS 155 Ca -0.01 -0.31 -0.64 0.00 -2.18 0.00 0.00 60.65 57.51 1x04 h LYS 155 Cb 1.14 -0.10 -0.07 0.00 -1.58 0.00 0.00 32.23 31.63 1x04 h LYS 155 CO 0.09 0.99 -0.53 -1.50 -1.08 0.00 0.00 179.45 177.41 1x04 s ILE 156 N -5.01 5.12 0.20 1.86 1.10 -0.65 -5.07 121.20 118.76 1x04 s ILE 156 Ca -0.11 -0.30 -0.32 0.00 -0.51 0.00 0.00 60.65 59.41 1x04 s ILE 156 Cb 0.14 -3.39 -0.12 0.00 0.15 0.00 0.00 42.46 39.24 1x04 s ILE 156 CO 0.85 0.31 1.73 -2.16 -2.11 0.00 0.00 174.94 173.56 1x04 s PRO 157 N -1.93 4.13 0.35 3.50 0.04 -1.26 -4.84 135.00 134.99 1x04 s PRO 157 Ca 0.26 2.61 0.17 0.00 0.04 0.00 0.00 61.00 64.08 1x04 s PRO 157 Cb -0.12 -3.12 1.19 0.00 0.04 0.00 0.00 34.50 32.48 1x04 s PRO 157 CO 0.18 -0.76 1.63 -0.44 0.04 0.00 0.00 177.00 177.65 1x04 h ASP 158 N 6.97 0.45 -0.35 6.66 3.32 -1.95 0.23 116.42 131.75 1x04 h ASP 158 Ca -0.43 0.21 0.06 0.00 0.02 0.00 0.00 57.03 56.90 1x04 h ASP 158 Cb 1.20 0.18 -0.06 0.00 0.22 0.00 0.00 39.33 40.88 1x04 h ASP 158 CO 0.96 -0.24 -0.01 -0.08 -1.72 0.00 0.00 179.24 178.14 1x04 h GLU 159 N 0.21 0.08 -0.50 3.56 4.57 -1.99 0.19 114.58 120.70 1x04 h GLU 159 Ca 0.78 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.97 1x04 h GLU 159 Cb 1.89 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 30.43 1x04 h GLU 159 CO -0.66 0.05 0.30 1.49 -1.18 0.00 0.00 179.01 179.02 1x04 h GLU 160 N 0.08 0.59 0.32 1.92 4.81 -0.91 -0.56 114.58 120.84 1x04 h GLU 160 Ca 0.17 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1x04 h GLU 160 Cb 0.24 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1x04 h GLU 160 CO -0.29 0.39 -0.15 1.25 -0.73 0.00 0.00 179.01 179.48 1x04 h LEU 161 N 0.61 -0.36 -0.64 1.64 5.85 -1.06 -1.01 115.31 120.34 1x04 h LEU 161 Ca 0.19 0.00 0.14 0.00 0.84 0.00 0.00 57.88 59.05 1x04 h LEU 161 Cb -0.01 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.00 1x04 h LEU 161 CO -0.08 -0.24 -0.04 -0.09 -0.34 0.00 0.00 178.44 177.65 1x04 h ARG 162 N -0.44 0.08 -0.58 1.25 2.43 -0.28 0.15 114.38 116.98 1x04 h ARG 162 Ca -0.04 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1x04 h ARG 162 Cb 0.34 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 1x04 h ARG 162 CO 0.07 0.05 0.38 1.96 -1.51 0.00 0.00 179.97 180.92 1x04 h GLN 163 N 0.08 0.75 -0.70 0.20 4.20 -0.86 0.20 115.11 118.98 1x04 h GLN 163 Ca 0.33 -0.05 0.11 0.00 0.06 0.00 0.00 58.65 59.10 1x04 h GLN 163 Cb 0.54 -0.17 -0.08 0.00 0.30 0.00 0.00 27.48 28.07 1x04 h GLN 163 CO -0.58 0.50 0.32 0.00 -0.67 0.00 0.00 178.83 178.39 1x04 h ALA 164 N 1.22 0.97 -0.33 3.87 0.00 0.60 0.27 119.26 125.86 1x04 h ALA 164 Ca 0.22 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 1x04 h ALA 164 Cb -0.07 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1x04 h ALA 164 CO -0.05 -0.12 -0.26 1.25 0.00 0.00 0.00 179.25 180.06 1x04 h LEU 165 N 0.52 0.80 0.05 0.00 5.85 -0.44 -2.49 115.31 119.60 1x04 h LEU 165 Ca 0.36 -0.45 0.02 0.00 0.84 0.00 0.00 57.88 58.65 1x04 h LEU 165 Cb 0.45 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1x04 h LEU 165 CO -0.31 1.08 -0.21 -0.08 -0.34 0.00 0.00 178.44 178.58 1x04 h GLU 166 N 0.53 -0.35 -0.72 1.25 4.81 0.67 -1.65 114.58 119.12 1x04 h GLU 166 Ca 0.06 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.41 1x04 h GLU 166 Cb 0.83 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.24 1x04 h GLU 166 CO 0.07 -0.23 0.47 0.87 -0.73 0.00 0.00 179.01 179.46 1x04 h LYS 167 N -0.36 0.59 0.34 1.92 1.79 -0.48 0.14 116.57 120.51 1x04 h LYS 167 Ca 0.05 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 1x04 h LYS 167 Cb 0.42 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1x04 h LYS 167 CO -0.16 0.39 -0.16 0.35 -1.08 0.00 0.00 179.45 178.79 1x04 h PHE 168 N 0.61 -0.43 -0.64 -1.35 3.57 -0.96 -0.77 116.94 116.97 1x04 h PHE 168 Ca 0.33 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.92 1x04 h PHE 168 Cb 0.47 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.28 1x04 h PHE 168 CO -0.00 -0.09 0.26 -0.44 -2.23 0.00 0.00 178.31 175.81 1x04 h ASP 169 N -0.88 0.27 -0.87 0.41 3.32 -0.94 0.17 116.42 117.90 1x04 h ASP 169 Ca -0.05 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.10 1x04 h ASP 169 Cb 0.53 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.08 1x04 h ASP 169 CO 0.08 0.15 0.57 -0.08 -1.72 0.00 0.00 179.24 178.24 1x04 h GLU 170 N 0.44 1.11 -0.03 3.56 4.81 -0.95 -0.39 114.58 123.14 1x04 h GLU 170 Ca 0.32 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.32 1x04 h GLU 170 Cb 0.40 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1x04 h GLU 170 CO -0.31 0.73 -0.72 0.77 -0.73 0.00 0.00 179.01 178.75 1x04 h SER 171 N 1.14 0.20 -0.42 1.04 0.02 0.30 -2.51 113.55 113.32 1x04 h SER 171 Ca 0.33 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 1x04 h SER 171 Cb -0.08 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1x04 h SER 171 CO -0.09 0.85 0.06 0.50 -1.14 0.00 0.00 176.83 177.01 1x04 h LYS 172 N 0.11 0.70 -0.27 3.45 3.64 -0.17 -1.07 116.57 122.97 1x04 h LYS 172 Ca -0.02 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1x04 h LYS 172 Cb 1.28 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1x04 h LYS 172 CO 0.11 0.75 0.17 1.49 -2.27 0.00 0.00 179.45 179.70 1x04 h GLU 173 N 0.55 0.35 -0.80 1.90 4.81 -0.98 0.34 114.58 120.75 1x04 h GLU 173 Ca 0.13 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1x04 h GLU 173 Cb 0.39 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 1x04 h GLU 173 CO 0.01 0.24 0.52 0.82 -0.73 0.00 0.00 179.01 179.87 1x04 h ILE 174 N 0.36 1.16 -0.26 2.32 2.04 -1.24 -1.19 117.51 120.70 1x04 h ILE 174 Ca 0.10 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 1x04 h ILE 174 Cb -0.03 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.08 1x04 h ILE 174 CO -0.02 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.32 1x04 h ALA 175 N 1.31 0.36 -0.99 1.87 0.00 -0.84 -2.28 119.26 118.69 1x04 h ALA 175 Ca 0.30 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1x04 h ALA 175 Cb -0.06 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.56 1x04 h ALA 175 CO -0.09 0.09 0.63 0.93 0.00 0.00 0.00 179.25 180.82 1x04 h GLU 176 N 0.25 1.10 0.08 0.00 5.08 -0.53 -2.83 114.58 117.72 1x04 h GLU 176 Ca 0.08 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1x04 h GLU 176 Cb 0.41 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1x04 h GLU 176 CO 0.01 0.73 -0.04 1.03 -1.00 0.00 0.00 179.01 179.74 1x04 h SER 177 N 1.13 -0.09 0.00 1.42 0.87 -1.06 -0.79 113.55 115.02 1x04 h SER 177 Ca 0.44 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1x04 h SER 177 Cb 0.22 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1x04 h SER 177 CO -0.19 0.26 0.00 -1.54 -0.53 0.00 0.00 176.83 174.84 1x04 n SER 178 N -4.97 0.32 0.00 6.23 3.41 -0.87 -0.99 113.62 116.75 1x04 n SER 178 Ca -0.08 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 1x04 n SER 178 Cb 0.21 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1x04 n SER 178 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1x04 n PHE 180 N 0.74 0.00 -0.24 7.33 -0.00 -0.30 -2.34 117.46 122.65 1x04 n PHE 180 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.45 57.39 1x04 n PHE 180 Cb 0.06 0.00 0.08 0.00 -0.00 0.00 0.00 39.48 39.62 1x04 n PHE 180 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 1x04 h ASN 181 N 0.00 1.03 -0.21 -2.13 2.35 -1.29 0.15 115.58 115.48 1x04 h ASN 181 Ca 0.00 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.50 1x04 h ASN 181 Cb 0.00 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 1x04 h ASN 181 CO 0.00 0.97 -0.09 0.25 -1.65 0.00 0.00 177.43 176.91 1x04 h LEU 182 N 1.06 0.44 -1.05 1.61 5.85 -1.71 -3.09 115.31 118.41 1x04 h LEU 182 Ca 0.23 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 1x04 h LEU 182 Cb 0.32 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1x04 h LEU 182 CO -0.01 0.75 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.75 1x04 h LEU 183 N 0.14 0.62 -3.87 2.25 3.38 -1.79 -3.21 115.31 112.83 1x04 h LEU 183 Ca 0.05 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1x04 h LEU 183 Cb 0.57 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1x04 h LEU 183 CO 0.03 0.71 -0.03 -0.62 0.09 0.00 0.00 178.44 178.61 1x04 n GLU 184 N -4.23 0.94 0.00 1.13 -0.58 0.49 -4.81 120.64 113.57 1x04 n GLU 184 Ca 0.02 -0.31 0.00 0.00 -0.42 0.00 0.00 57.16 56.45 1x04 n GLU 184 Cb 0.28 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 1x04 n GLU 184 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1x04 n ASP 186 N 2.18 0.00 0.32 1.62 3.85 -1.22 -4.97 116.55 118.33 1x04 n ASP 186 Ca 0.13 0.00 0.20 0.00 -0.71 0.00 0.00 54.79 54.41 1x04 n ASP 186 Cb 0.44 0.00 1.06 0.00 -1.35 0.00 0.00 41.12 41.27 1x04 n ASP 186 CO 0.00 0.00 0.00 -0.29 -1.01 0.00 0.00 177.20 175.90 1x04 h ILE 187 N 0.00 0.19 0.00 2.12 6.09 -1.92 0.43 117.51 124.41 1x04 h ILE 187 Ca 0.00 -0.09 -0.05 0.00 -1.37 0.00 0.00 64.86 63.35 1x04 h ILE 187 Cb 0.00 1.07 -0.01 0.00 0.47 0.00 0.00 36.82 38.36 1x04 h ILE 187 CO 0.00 0.01 -0.24 -0.33 -3.07 0.00 0.00 178.15 174.52 1x04 h GLU 188 N 0.00 0.00 -0.24 2.19 5.08 -1.98 -2.20 114.58 117.43 1x04 h GLU 188 Ca -0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1x04 h GLU 188 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1x04 h GLU 188 CO 0.00 0.24 -0.59 1.96 -1.00 0.00 0.00 179.01 179.62 1x04 h GLN 189 N 0.00 0.79 0.00 2.33 1.08 -1.35 -1.75 115.11 116.21 1x04 h GLN 189 Ca -0.00 -0.53 -0.05 0.00 -1.45 0.00 0.00 58.65 56.62 1x04 h GLN 189 Cb 0.92 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.42 1x04 h GLN 189 CO 0.03 1.15 -0.22 0.28 -0.95 0.00 0.00 178.83 179.13 1x04 h VAL 190 N 0.59 0.83 -0.07 -0.54 2.07 -1.36 0.18 116.25 117.95 1x04 h VAL 190 Ca 0.00 -0.86 -0.20 0.00 0.82 0.00 0.00 66.70 66.46 1x04 h VAL 190 Cb 1.19 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1x04 h VAL 190 CO 0.13 0.21 -0.80 0.28 0.02 0.00 0.00 177.57 177.41 1x04 h SER 191 N 0.00 0.60 -0.15 0.57 0.02 -0.92 -1.31 113.55 112.35 1x04 h SER 191 Ca -0.00 -0.41 -0.04 0.00 -0.84 0.00 0.00 61.79 60.49 1x04 h SER 191 Cb 0.49 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 1x04 h SER 191 CO 0.03 1.18 -0.06 1.56 -1.14 0.00 0.00 176.83 178.40 1x04 h GLN 192 N 0.32 0.31 -0.81 3.45 4.20 -0.43 0.44 115.11 122.59 1x04 h GLN 192 Ca -0.05 -0.13 0.09 0.00 0.06 0.00 0.00 58.65 58.62 1x04 h GLN 192 Cb 1.40 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 29.10 1x04 h GLN 192 CO 0.14 0.62 0.45 -0.07 -0.67 0.00 0.00 178.83 179.30 1x04 h LEU 193 N -0.02 0.65 -0.45 1.46 3.38 -0.67 0.12 115.31 119.78 1x04 h LEU 193 Ca 0.03 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1x04 h LEU 193 Cb 0.52 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1x04 h LEU 193 CO 0.02 0.37 0.26 -1.28 0.09 0.00 0.00 178.44 177.90 1x04 h SER 194 N 0.77 0.41 -0.97 -0.43 0.87 -0.71 -1.70 113.55 111.79 1x04 h SER 194 Ca 0.39 0.01 0.12 0.00 -1.23 0.00 0.00 61.79 61.07 1x04 h SER 194 Cb 0.36 -0.08 -0.08 0.00 -0.44 0.00 0.00 62.40 62.16 1x04 h SER 194 CO -0.25 0.29 0.60 0.00 -0.53 0.00 0.00 176.83 176.94 1x04 h ALA 195 N 1.20 1.45 0.83 6.23 0.00 0.24 0.46 119.26 129.68 1x04 h ALA 195 Ca 0.18 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1x04 h ALA 195 Cb 0.03 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1x04 h ALA 195 CO -0.09 0.19 -0.40 1.25 0.00 0.00 0.00 179.25 180.21 1x04 h LEU 196 N 0.95 -0.94 -2.01 0.00 5.85 -0.36 -2.02 115.31 116.78 1x04 h LEU 196 Ca 0.48 0.03 0.10 0.00 0.84 0.00 0.00 57.88 59.34 1x04 h LEU 196 Cb 0.48 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1x04 h LEU 196 CO -0.27 -0.62 0.40 0.58 -0.34 0.00 0.00 178.44 178.20 1x04 h VAL 197 N -1.22 0.37 0.28 1.05 2.07 -0.83 0.12 116.25 118.09 1x04 h VAL 197 Ca -0.11 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1x04 h VAL 197 Cb 0.85 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1x04 h VAL 197 CO 0.19 0.00 -0.13 -0.61 0.02 0.00 0.00 177.57 177.03 1x04 h GLN 198 N 0.00 -0.36 -0.66 1.57 5.75 0.34 -1.40 115.11 120.35 1x04 h GLN 198 Ca 0.17 0.02 0.13 0.00 -0.15 0.00 0.00 58.65 58.83 1x04 h GLN 198 Cb 0.97 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.57 1x04 h GLN 198 CO -0.00 -0.24 0.45 0.00 -2.65 0.00 0.00 178.83 176.39 1x04 h ALA 199 N -1.71 2.17 0.66 3.38 0.00 -0.65 0.09 119.26 123.20 1x04 h ALA 199 Ca -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1x04 h ALA 199 Cb 0.29 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1x04 h ALA 199 CO 0.06 -0.34 -0.31 0.37 0.00 0.00 0.00 179.25 179.03 1x04 h GLN 200 N 0.32 -0.85 -0.44 0.00 5.75 -0.98 -1.59 115.11 117.33 1x04 h GLN 200 Ca 0.32 0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.85 1x04 h GLN 200 Cb 0.79 0.19 -0.02 0.00 1.07 0.00 0.00 27.48 29.51 1x04 h GLN 200 CO -0.08 -0.55 0.16 1.25 -2.65 0.00 0.00 178.83 176.96 1x04 h LEU 201 N -0.93 0.57 -0.79 -2.39 5.85 -0.38 -2.37 115.31 114.86 1x04 h LEU 201 Ca -0.09 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 1x04 h LEU 201 Cb 0.69 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1x04 h LEU 201 CO 0.15 0.53 0.18 -0.08 -0.34 0.00 0.00 178.44 178.87 1x04 h GLU 202 N 0.62 1.08 0.42 1.25 4.57 -0.84 -1.28 114.58 120.41 1x04 h GLU 202 Ca 0.15 -0.25 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 1x04 h GLU 202 Cb 0.15 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1x04 h GLU 202 CO -0.01 0.95 -0.20 -0.92 -1.18 0.00 0.00 179.01 177.64 1x04 h TYR 203 N 1.03 -0.53 -0.72 0.92 3.20 -0.79 -1.35 116.97 118.73 1x04 h TYR 203 Ca 0.22 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.15 1x04 h TYR 203 Cb 0.35 0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.74 1x04 h TYR 203 CO 0.03 -0.21 0.47 0.45 -1.64 0.00 0.00 178.16 177.26 1x04 h HIS 204 N -0.85 0.72 -0.15 -3.82 3.86 -1.41 0.20 115.15 113.70 1x04 h HIS 204 Ca -0.06 0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 59.02 1x04 h HIS 204 Cb 0.55 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.79 1x04 h HIS 204 CO 0.01 0.36 -0.50 0.87 0.86 0.00 0.00 177.93 179.54 1x04 h LYS 205 N 0.70 0.61 -0.87 2.45 1.57 -1.23 -0.61 116.57 119.17 1x04 h LYS 205 Ca 0.32 -0.45 0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1x04 h LYS 205 Cb 0.34 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.66 1x04 h LYS 205 CO -0.11 1.07 0.54 0.37 -0.57 0.00 0.00 179.45 180.75 1x04 h GLN 206 N 0.26 0.94 -0.16 3.15 5.75 -0.42 -2.58 115.11 122.05 1x04 h GLN 206 Ca -0.02 -0.06 -0.11 0.00 -0.15 0.00 0.00 58.65 58.32 1x04 h GLN 206 Cb 1.12 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 29.46 1x04 h GLN 206 CO 0.11 0.62 -0.32 0.00 -2.65 0.00 0.00 178.83 176.59 1x04 h ALA 207 N 1.42 0.25 -0.76 3.38 0.00 -0.53 -2.99 119.26 120.04 1x04 h ALA 207 Ca 0.39 -0.42 0.21 0.00 0.00 0.00 0.00 54.91 55.09 1x04 h ALA 207 Cb 0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1x04 h ALA 207 CO -0.19 0.29 0.54 0.28 0.00 0.00 0.00 179.25 180.17 1x04 h VAL 208 N 0.13 0.64 0.08 0.00 2.07 -0.72 -0.68 116.25 117.77 1x04 h VAL 208 Ca 0.01 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1x04 h VAL 208 Cb 0.92 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1x04 h VAL 208 CO 0.07 0.01 -0.04 1.56 0.02 0.00 0.00 177.57 179.19 1x04 h GLN 209 N 0.06 -0.11 -0.84 1.57 1.08 -1.36 -0.49 115.11 115.03 1x04 h GLN 209 Ca 0.37 0.01 0.11 0.00 -1.45 0.00 0.00 58.65 57.68 1x04 h GLN 209 Cb 1.37 0.02 -0.12 0.00 -0.05 0.00 0.00 27.48 28.71 1x04 h GLN 209 CO -0.03 -0.07 -0.39 -0.89 -0.95 0.00 0.00 178.83 176.50 1x04 n ILE 210 N -2.44 -0.49 0.44 2.54 5.41 -0.78 -0.97 119.36 123.07 1x04 n ILE 210 Ca -0.01 1.99 -0.18 0.00 1.00 0.00 0.00 62.75 65.54 1x04 n ILE 210 Cb 0.04 -2.56 -0.09 0.00 -0.71 0.00 0.00 39.64 36.33 1x04 n ILE 210 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1x04 h LEU 211 N 0.00 -0.96 -1.51 1.39 3.38 -1.24 -2.72 115.31 113.65 1x04 h LEU 211 Ca 0.23 0.03 0.37 0.00 0.09 0.00 0.00 57.88 58.60 1x04 h LEU 211 Cb 0.44 0.25 -0.10 0.00 0.09 0.00 0.00 40.66 41.34 1x04 h LEU 211 CO -0.81 -0.63 0.82 -0.61 0.09 0.00 0.00 178.44 177.30 1x04 h GLN 212 N -1.25 0.17 0.53 1.13 4.15 -0.06 0.43 115.11 120.21 1x04 h GLN 212 Ca -0.12 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.27 1x04 h GLN 212 Cb 0.88 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.54 1x04 h GLN 212 CO 0.19 0.11 -0.26 0.37 -1.93 0.00 0.00 178.83 177.32 1x04 h GLN 213 N 0.17 -0.69 0.00 1.69 4.15 -0.88 -2.96 115.11 116.59 1x04 h GLN 213 Ca 0.71 0.05 0.00 0.00 0.77 0.00 0.00 58.65 60.18 1x04 h GLN 213 Cb 2.24 0.16 0.00 0.00 0.21 0.00 0.00 27.48 30.08 1x04 h GLN 213 CO -0.30 -0.46 0.00 0.28 -1.93 0.00 0.00 178.83 176.43 1x04 h VAL 214 N -0.94 0.00 0.00 2.39 2.07 -0.93 0.20 116.25 119.04 1x04 h VAL 214 Ca -0.07 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1x04 h VAL 214 Cb 0.55 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1x04 h VAL 214 CO 0.12 0.00 0.00 0.74 0.02 0.00 0.00 177.57 178.45 1x04 h THR 215 N 0.00 0.00 0.00 2.57 2.02 -0.05 -2.46 112.91 114.98 1x04 h THR 215 Ca 0.00 -0.54 -0.29 0.00 0.77 0.00 0.00 66.41 66.35 1x04 h THR 215 Cb 0.09 1.50 -0.05 0.00 -1.74 0.00 0.00 68.15 67.95 1x04 h THR 215 CO 0.00 0.00 -1.88 0.55 0.37 0.00 0.00 175.52 174.56 1x04 n VAL 216 N -2.92 1.45 0.06 3.16 3.14 0.04 -3.26 118.33 120.00 1x04 n VAL 216 Ca 0.02 -0.79 -0.04 0.00 -2.96 0.00 0.00 64.34 60.57 1x04 n VAL 216 Cb 0.33 -0.80 0.18 0.00 -1.06 0.00 0.00 33.84 32.50 1x04 n VAL 216 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 1x04 h ARG 217 N 0.00 0.33 0.00 1.45 3.08 -1.32 -2.00 114.38 115.92 1x04 h ARG 217 Ca -0.34 -0.16 -0.10 0.00 0.07 0.00 0.00 59.98 59.44 1x04 h ARG 217 Cb 2.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.04 1x04 h ARG 217 CO 0.06 0.70 -0.48 -0.07 -1.07 0.00 0.00 179.97 179.10 1x04 h LEU 218 N 0.28 0.00 -0.68 3.04 3.38 -1.59 -2.93 115.31 116.81 1x04 h LEU 218 Ca 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1x04 h LEU 218 Cb 0.85 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1x04 h LEU 218 CO 0.07 0.48 0.24 -0.33 0.09 0.00 0.00 178.44 179.00 1x04 h GLU 219 N 0.00 1.03 0.28 1.13 4.39 -1.38 -2.44 114.58 117.59 1x04 h GLU 219 Ca -0.00 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 1x04 h GLU 219 Cb 1.25 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1x04 h GLU 219 CO 0.06 0.88 -0.13 0.93 -1.16 0.00 0.00 179.01 179.59 1x04 h GLU 220 N 0.97 -0.36 -0.99 2.33 5.08 -1.23 -2.08 114.58 118.30 1x04 h GLU 220 Ca 0.22 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.73 1x04 h GLU 220 Cb 0.25 0.08 -0.14 0.00 0.50 0.00 0.00 28.75 29.44 1x04 h GLU 220 CO -0.01 -0.24 -0.48 0.00 -1.00 0.00 0.00 179.01 177.28 1x04 h ARG 221 N -0.38 -0.01 0.00 2.33 3.08 -1.55 2.39 114.38 120.24 1x04 h ARG 221 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1x04 h ARG 221 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1x04 h ARG 221 CO 0.06 -0.00 0.05 0.82 -1.07 0.00 0.00 179.97 179.83 1x04 h ILE 222 N -0.01 0.00 0.01 2.04 2.04 -1.45 -0.85 117.51 119.30 1x04 h ILE 222 Ca 0.26 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.77 1x04 h ILE 222 Cb 0.52 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 1x04 h ILE 222 CO -0.96 0.00 -2.20 -1.14 0.00 0.00 0.00 178.15 173.85 1x04 n ARG 223 N -2.32 0.68 0.00 2.37 0.63 0.76 -3.84 116.66 114.93 1x04 n ARG 223 Ca -0.02 0.12 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 1x04 n ARG 223 Cb 0.09 -1.61 0.00 0.00 0.45 0.00 0.00 32.46 31.39 1x04 n ARG 223 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1x04 n GLN 224 N -3.00 0.96 0.00 -0.14 1.13 0.12 -5.08 117.38 111.37 1x04 n GLN 224 Ca -0.31 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.75 1x04 n GLN 224 Cb 1.09 -1.15 0.00 0.00 0.11 0.00 0.00 30.24 30.29 1x04 n GLN 224 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62