#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b8f n ASN 2 N 0.00 4.20 0.22 -1.43 4.05 -1.26 -5.02 115.26 116.02 3b8f n ASN 2 Ca 0.00 -3.41 0.06 0.00 0.45 0.00 0.00 54.58 51.68 3b8f n ASN 2 Cb 0.00 -0.80 0.56 0.00 1.23 0.00 0.00 39.78 40.77 3b8f n ASN 2 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 3b8f h ILE 3 N 3.35 1.07 -0.59 -1.44 2.04 -2.04 -2.11 117.51 117.80 3b8f h ILE 3 Ca 0.19 -0.30 0.12 0.00 1.00 0.00 0.00 64.86 65.88 3b8f h ILE 3 Cb 0.67 1.11 -0.11 0.00 -0.74 0.00 0.00 36.82 37.74 3b8f h ILE 3 CO 0.92 0.09 -0.18 -0.33 0.00 0.00 0.00 178.15 178.65 3b8f h GLU 4 N 0.05 -0.03 0.07 2.37 3.07 -1.95 -2.24 114.58 115.92 3b8f h GLU 4 Ca 0.01 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.62 3b8f h GLU 4 Cb 0.14 0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.07 3b8f h GLU 4 CO 0.01 -0.02 -1.11 0.37 -1.40 0.00 0.00 179.01 176.85 3b8f h GLN 5 N -0.03 0.40 0.08 2.33 5.75 -1.81 -1.75 115.11 120.07 3b8f h GLN 5 Ca 0.28 -0.53 0.02 0.00 -0.15 0.00 0.00 58.65 58.27 3b8f h GLN 5 Cb 0.46 0.17 -0.03 0.00 1.07 0.00 0.00 27.48 29.15 3b8f h GLN 5 CO -0.62 1.20 -0.23 1.96 -2.65 0.00 0.00 178.83 178.49 3b8f h GLN 6 N 0.18 -0.39 -0.07 1.69 4.20 -1.45 0.22 115.11 119.50 3b8f h GLN 6 Ca -0.12 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 3b8f h GLN 6 Cb 1.79 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 29.65 3b8f h GLN 6 CO 0.19 -0.26 0.01 -0.07 -0.67 0.00 0.00 178.83 178.03 3b8f h LEU 7 N -0.40 0.11 -0.50 1.46 3.38 -1.41 -2.45 115.31 115.51 3b8f h LEU 7 Ca 0.04 -0.28 0.10 0.00 0.09 0.00 0.00 57.88 57.82 3b8f h LEU 7 Cb 0.44 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.06 3b8f h LEU 7 CO -0.15 0.36 -0.23 0.22 0.09 0.00 0.00 178.44 178.74 3b8f h TYR 8 N -0.15 -0.57 -0.64 1.13 3.20 -1.24 -2.11 116.97 116.58 3b8f h TYR 8 Ca 0.02 0.05 0.05 0.00 3.14 0.00 0.00 58.73 61.99 3b8f h TYR 8 Cb 0.31 0.33 -0.05 0.00 1.54 0.00 0.00 36.73 38.85 3b8f h TYR 8 CO 0.02 -0.31 0.36 -0.44 -1.64 0.00 0.00 178.16 176.16 3b8f h ASP 9 N -0.11 0.55 -0.07 -2.11 3.32 -0.76 -1.52 116.42 115.72 3b8f h ASP 9 Ca 0.23 0.02 -0.18 0.00 0.02 0.00 0.00 57.03 57.13 3b8f h ASP 9 Cb 0.47 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 3b8f h ASP 9 CO -0.57 0.37 -0.58 -0.37 -1.72 0.00 0.00 179.24 176.37 3b8f h VAL 10 N 0.69 1.31 -0.31 -1.35 -1.51 -1.09 -1.17 116.25 112.81 3b8f h VAL 10 Ca 0.28 -1.82 -0.07 0.00 -1.23 0.00 0.00 66.70 63.86 3b8f h VAL 10 Cb 0.14 1.77 -0.01 0.00 -2.13 0.00 0.00 31.29 31.05 3b8f h VAL 10 CO -0.16 0.57 -0.07 0.58 -1.23 0.00 0.00 177.57 177.26 3b8f h VAL 11 N 0.51 1.28 -0.52 7.19 2.07 -1.26 -1.53 116.25 123.99 3b8f h VAL 11 Ca 0.00 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.43 3b8f h VAL 11 Cb 1.16 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 3b8f h VAL 11 CO 0.12 0.36 0.31 0.50 0.02 0.00 0.00 177.57 178.88 3b8f h LYS 12 N 0.38 0.61 -0.41 1.57 3.64 -1.20 -0.76 116.57 120.40 3b8f h LYS 12 Ca 0.08 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 3b8f h LYS 12 Cb 0.56 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 3b8f h LYS 12 CO 0.03 0.40 0.13 1.96 -2.27 0.00 0.00 179.45 179.70 3b8f h GLN 13 N 0.62 0.27 -0.30 1.90 4.20 -1.08 -1.04 115.11 119.69 3b8f h GLN 13 Ca 0.21 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 3b8f h GLN 13 Cb 0.02 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3b8f h GLN 13 CO -0.09 0.18 0.17 1.25 -0.67 0.00 0.00 178.83 179.66 3b8f h LEU 14 N 0.28 0.37 -0.24 1.46 5.85 -0.93 -1.16 115.31 120.93 3b8f h LEU 14 Ca 0.19 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.86 3b8f h LEU 14 Cb 0.20 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3b8f h LEU 14 CO -0.21 0.34 0.08 0.40 -0.34 0.00 0.00 178.44 178.71 3b8f h ILE 15 N 0.37 0.94 -0.96 4.05 2.04 -0.94 0.54 117.51 123.55 3b8f h ILE 15 Ca 0.11 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.96 3b8f h ILE 15 Cb 0.05 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 36.79 3b8f h ILE 15 CO -0.02 0.04 0.61 -0.33 0.00 0.00 0.00 178.15 178.45 3b8f h GLU 16 N 0.20 1.10 0.10 2.37 5.08 -1.00 0.33 114.58 122.75 3b8f h GLU 16 Ca 0.11 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3b8f h GLU 16 Cb 0.07 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.08 3b8f h GLU 16 CO -0.11 0.72 -0.05 0.37 -1.00 0.00 0.00 179.01 178.95 3b8f h GLN 17 N 1.13 -0.13 0.00 2.33 5.75 -0.65 -3.31 115.11 120.22 3b8f h GLN 17 Ca 0.41 0.01 -0.15 0.00 -0.15 0.00 0.00 58.65 58.77 3b8f h GLN 17 Cb 0.14 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 3b8f h GLN 17 CO -0.16 0.36 -0.90 -0.09 -2.65 0.00 0.00 178.83 175.38 3b8f h ARG 18 N -0.72 0.00 -2.05 1.69 9.65 0.22 -3.38 114.38 119.79 3b8f h ARG 18 Ca -0.01 0.00 -0.55 0.00 -1.10 0.00 0.00 59.98 58.31 3b8f h ARG 18 Cb 0.55 0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 28.73 3b8f h ARG 18 CO 0.02 0.50 -1.01 0.66 2.80 0.00 0.00 179.97 182.95 3b8f n TYR 19 N -3.13 0.71 0.25 2.20 4.01 0.11 -4.93 117.16 116.39 3b8f n TYR 19 Ca -0.03 -3.74 0.13 0.00 -0.16 0.00 0.00 57.90 54.10 3b8f n TYR 19 Cb 0.81 -0.41 0.65 0.00 -0.31 0.00 0.00 39.34 40.08 3b8f n TYR 19 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3b8f h PRO 20 N 3.78 0.00 -5.41 -0.72 0.13 -1.69 -3.43 132.00 124.66 3b8f h PRO 20 Ca 0.10 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.82 3b8f h PRO 20 Cb 0.84 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.77 3b8f h PRO 20 CO 0.56 0.14 -0.77 -0.80 -0.23 0.00 0.00 178.00 176.90 3b8f s ASN 21 N -6.08 1.87 0.86 1.44 0.01 -1.26 -4.71 114.94 107.07 3b8f s ASN 21 Ca -0.01 -0.73 0.00 0.00 -0.71 0.00 0.00 52.86 51.41 3b8f s ASN 21 Cb 0.12 -0.06 0.00 0.00 0.41 0.00 0.00 41.25 41.72 3b8f s ASN 21 CO 0.59 -0.11 0.00 0.47 -1.51 0.00 0.00 177.10 176.54 3b8f n ASP 22 N 0.86 -0.12 -4.77 -1.22 8.00 -1.26 -4.76 116.55 113.27 3b8f n ASP 22 Ca -0.18 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 54.92 3b8f n ASP 22 Cb 0.56 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.65 3b8f n ASP 22 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3b8f s TRP 23 N 0.00 2.77 -0.05 1.24 -0.00 -1.18 -3.65 118.94 118.08 3b8f s TRP 23 Ca 0.00 1.32 -0.07 0.00 -0.00 0.00 0.00 56.10 57.36 3b8f s TRP 23 Cb 0.00 -3.81 0.01 0.00 -0.00 0.00 0.00 33.47 29.67 3b8f s TRP 23 CO 0.00 -2.39 0.17 0.20 -0.00 0.00 0.00 176.95 174.92 3b8f s GLY 24 N -0.45 -0.08 0.01 5.86 0.00 -0.78 -4.88 107.32 106.99 3b8f s GLY 24 Ca 0.54 0.32 -0.26 0.00 0.00 0.00 0.00 44.72 45.31 3b8f s GLY 24 CO 0.55 0.22 0.59 -0.32 0.00 0.00 0.00 173.10 174.15 3b8f s GLY 25 N -0.35 -0.50 0.29 0.20 0.00 -1.26 -0.35 107.32 105.35 3b8f s GLY 25 Ca -0.04 0.91 -0.18 0.00 0.00 0.00 0.00 44.72 45.40 3b8f s GLY 25 CO 0.01 0.59 0.69 0.00 0.00 0.00 0.00 173.10 174.38 3b8f s ALA 26 N -1.88 -0.95 0.09 3.20 0.00 -0.60 -4.65 121.76 116.97 3b8f s ALA 26 Ca -0.08 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.42 3b8f s ALA 26 Cb -0.01 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 3b8f s ALA 26 CO 0.03 -1.00 -0.09 0.00 0.00 0.00 0.00 175.76 174.71 3b8f s ALA 27 N -3.69 1.04 0.05 0.00 0.00 -0.33 -1.53 121.76 117.30 3b8f s ALA 27 Ca 0.14 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 50.92 3b8f s ALA 27 Cb -0.05 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 3b8f s ALA 27 CO 0.08 -0.08 -0.06 0.00 0.00 0.00 0.00 175.76 175.70 3b8f s ALA 28 N -2.63 0.55 -0.05 0.00 0.00 0.10 -1.49 121.76 118.24 3b8f s ALA 28 Ca 0.06 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.19 3b8f s ALA 28 Cb -0.02 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.21 3b8f s ALA 28 CO -0.01 -0.10 -0.12 0.42 0.00 0.00 0.00 175.76 175.95 3b8f s ILE 29 N -1.92 1.04 -0.06 0.00 1.01 0.62 -1.55 121.20 120.34 3b8f s ILE 29 Ca -0.07 -0.47 -0.00 0.00 0.00 0.00 0.00 60.65 60.11 3b8f s ILE 29 Cb -0.06 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 3b8f s ILE 29 CO -0.01 0.32 -0.00 -0.60 0.00 0.00 0.00 174.94 174.64 3b8f s ARG 30 N 0.38 2.90 0.43 2.79 3.52 -0.20 -1.00 118.95 127.76 3b8f s ARG 30 Ca -0.08 -0.49 0.07 0.00 -0.13 0.00 0.00 55.73 55.10 3b8f s ARG 30 Cb -0.12 -2.73 -0.03 0.00 -1.56 0.00 0.00 34.95 30.50 3b8f s ARG 30 CO 0.02 0.67 0.26 0.14 -0.81 0.00 0.00 175.30 175.58 3b8f s VAL 31 N -0.95 2.29 0.31 7.11 -7.23 -0.40 -1.02 120.40 120.51 3b8f s VAL 31 Ca 0.15 -1.58 0.04 0.00 -1.81 0.00 0.00 61.98 58.79 3b8f s VAL 31 Cb -0.11 -2.87 0.30 0.00 0.56 0.00 0.00 36.38 34.26 3b8f s VAL 31 CO 0.05 0.00 1.85 -0.08 -0.31 0.00 0.00 175.10 176.61 3b8f h GLU 32 N 1.23 0.84 -0.00 4.82 4.81 -1.33 0.06 114.58 125.01 3b8f h GLU 32 Ca -0.42 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3b8f h GLU 32 Cb 1.26 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3b8f h GLU 32 CO 0.65 0.56 0.00 -0.40 -0.73 0.00 0.00 179.01 179.09 3b8f n ASP 33 N -4.60 0.22 0.00 1.04 5.75 -1.26 -4.87 116.55 112.83 3b8f n ASP 33 Ca 0.18 -1.12 0.00 0.00 -0.01 0.00 0.00 54.79 53.85 3b8f n ASP 33 Cb 0.41 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 3b8f n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3b8f n GLY 34 N 1.01 0.58 3.76 6.12 0.00 0.01 -5.07 105.19 111.59 3b8f n GLY 34 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 3b8f n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b8f s THR 35 N -2.33 2.53 -0.09 2.61 2.01 -1.26 -4.78 115.64 114.34 3b8f s THR 35 Ca 0.00 0.37 0.02 0.00 0.31 0.00 0.00 61.69 62.39 3b8f s THR 35 Cb 0.00 -3.17 0.02 0.00 0.01 0.00 0.00 72.50 69.35 3b8f s THR 35 CO 0.00 -0.03 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.14 3b8f s ILE 36 N -1.47 1.27 -0.01 1.82 1.01 -1.26 -1.28 121.20 121.28 3b8f s ILE 36 Ca 0.72 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.89 3b8f s ILE 36 Cb -0.34 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 3b8f s ILE 36 CO 0.39 0.39 -0.07 -0.31 0.00 0.00 0.00 174.94 175.34 3b8f s TYR 37 N 0.96 2.89 0.07 3.97 2.02 -0.17 -4.97 117.35 122.12 3b8f s TYR 37 Ca -0.08 -0.03 0.06 0.00 -0.37 0.00 0.00 57.07 56.65 3b8f s TYR 37 Cb -0.15 -1.62 -0.03 0.00 -0.40 0.00 0.00 41.96 39.76 3b8f s TYR 37 CO -0.00 0.36 -0.16 0.95 -1.57 0.00 0.00 175.55 175.13 3b8f s THR 38 N -0.96 1.30 0.16 -0.71 -4.23 -1.26 -0.27 115.64 109.66 3b8f s THR 38 Ca 0.16 -1.28 -0.13 0.00 -1.18 0.00 0.00 61.69 59.26 3b8f s THR 38 Cb -0.11 -1.20 0.01 0.00 1.34 0.00 0.00 72.50 72.54 3b8f s THR 38 CO 0.06 -0.10 0.37 -0.94 -0.54 0.00 0.00 174.62 173.48 3b8f s SER 39 N -1.59 -0.10 0.21 3.99 1.04 -0.56 -4.50 113.70 112.19 3b8f s SER 39 Ca 0.02 -0.61 0.06 0.00 0.48 0.00 0.00 55.95 55.90 3b8f s SER 39 Cb -0.09 0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.45 3b8f s SER 39 CO 0.02 -0.91 -0.10 0.68 0.98 0.00 0.00 173.24 173.91 3b8f s VAL 40 N -3.89 1.50 0.38 5.02 -7.23 -1.25 -1.18 120.40 113.75 3b8f s VAL 40 Ca 0.10 -2.14 -0.26 0.00 -1.81 0.00 0.00 61.98 57.88 3b8f s VAL 40 Cb 0.02 -2.12 -0.09 0.00 0.56 0.00 0.00 36.38 34.76 3b8f s VAL 40 CO -0.05 -0.54 1.14 0.00 -0.31 0.00 0.00 175.10 175.35 3b8f s ALA 41 N -3.12 3.18 0.46 1.32 0.00 -1.26 -4.76 121.76 117.59 3b8f s ALA 41 Ca 0.23 0.92 -0.23 0.00 0.00 0.00 0.00 51.96 52.88 3b8f s ALA 41 Cb 0.02 -3.36 -0.07 0.00 0.00 0.00 0.00 23.12 19.71 3b8f s ALA 41 CO 0.07 -0.43 1.21 -1.25 0.00 0.00 0.00 175.76 175.36 3b8f s PRO 42 N -2.21 3.71 0.43 0.00 0.04 -1.26 -5.02 135.00 130.70 3b8f s PRO 42 Ca 0.55 1.90 -0.23 0.00 0.04 0.00 0.00 61.00 63.27 3b8f s PRO 42 Cb -0.30 -2.45 -0.08 0.00 0.04 0.00 0.00 34.50 31.70 3b8f s PRO 42 CO 0.37 -0.63 1.07 -0.51 0.04 0.00 0.00 177.00 177.35 3b8f s ASP 43 N -1.19 6.53 0.08 6.66 1.01 -1.26 -4.83 116.67 123.67 3b8f s ASP 43 Ca 0.63 2.06 0.02 0.00 0.71 0.00 0.00 52.55 55.97 3b8f s ASP 43 Cb -0.32 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 40.99 3b8f s ASP 43 CO 0.39 -0.66 -0.07 0.68 0.21 0.00 0.00 175.17 175.72 3b8f s VAL 44 N -1.72 0.67 -0.42 -1.27 -7.23 -1.26 -5.01 120.40 104.15 3b8f s VAL 44 Ca 0.62 -1.59 0.10 0.00 -1.81 0.00 0.00 61.98 59.29 3b8f s VAL 44 Cb -0.22 -1.26 -0.12 0.00 0.56 0.00 0.00 36.38 35.35 3b8f s VAL 44 CO 0.27 -0.66 0.41 2.30 -0.31 0.00 0.00 175.10 177.11 3b8f n ILE 45 N 0.57 0.00 -3.85 -0.62 -5.35 -1.26 -4.98 119.36 103.87 3b8f n ILE 45 Ca -0.16 -0.26 -0.26 0.00 -0.27 0.00 0.00 62.75 61.79 3b8f n ILE 45 Cb 0.58 0.91 -0.17 0.00 -1.74 0.00 0.00 39.64 39.22 3b8f n ILE 45 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3b8f s ASN 46 N -2.11 2.32 0.51 7.28 2.47 -1.26 -5.04 114.94 119.10 3b8f s ASN 46 Ca 0.03 -0.42 0.21 0.00 0.42 0.00 0.00 52.86 53.11 3b8f s ASN 46 Cb 0.08 -0.74 1.30 0.00 -1.45 0.00 0.00 41.25 40.43 3b8f s ASN 46 CO 0.42 -0.18 2.02 0.00 -3.72 0.00 0.00 177.10 175.65 3b8f h ALA 47 N 8.20 2.31 0.00 1.71 0.00 -2.01 -0.83 119.26 128.65 3b8f h ALA 47 Ca -0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3b8f h ALA 47 Cb 1.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3b8f h ALA 47 CO 0.36 -0.43 0.00 -1.13 0.00 0.00 0.00 179.25 178.06 3b8f n SER 48 N -4.43 0.00 -0.98 0.00 3.41 -1.26 -2.44 113.62 107.93 3b8f n SER 48 Ca 0.07 -0.16 0.11 0.00 -0.26 0.00 0.00 58.87 58.63 3b8f n SER 48 Cb 0.46 -0.23 0.26 0.00 -0.26 0.00 0.00 64.21 64.44 3b8f n SER 48 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3b8f n THR 49 N -1.23 0.42 -2.22 6.66 -2.24 -0.31 -4.97 114.28 110.39 3b8f n THR 49 Ca 0.12 -0.63 -0.38 0.00 -2.27 0.00 0.00 64.05 60.88 3b8f n THR 49 Cb 0.15 0.80 -0.01 0.00 -2.10 0.00 0.00 70.33 69.17 3b8f n THR 49 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3b8f s GLU 50 N -1.58 4.00 0.02 -0.78 2.56 -1.02 -4.91 118.70 116.99 3b8f s GLU 50 Ca 0.37 1.92 -0.01 0.00 0.00 0.00 0.00 54.97 57.25 3b8f s GLU 50 Cb 0.21 -2.67 -0.02 0.00 2.00 0.00 0.00 34.13 33.65 3b8f s GLU 50 CO 0.30 -0.39 -0.02 -0.51 -0.56 0.00 0.00 175.26 174.07 3b8f s LEU 51 N -2.53 2.23 0.52 2.70 1.43 -1.26 -5.06 118.68 116.71 3b8f s LEU 51 Ca 0.58 -0.55 -0.19 0.00 -1.03 0.00 0.00 54.13 52.93 3b8f s LEU 51 Cb -0.33 0.14 -0.07 0.00 0.03 0.00 0.00 46.19 45.97 3b8f s LEU 51 CO 0.41 -0.34 1.07 0.00 0.23 0.00 0.00 176.35 177.72 3b8f h MET 53 N 1.32 0.00 0.00 0.00 2.86 -1.94 -1.60 114.93 115.57 3b8f h MET 53 Ca -0.49 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 3b8f h MET 53 Cb 1.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.89 3b8f h MET 53 CO 0.58 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.94 3b8f n GLU 54 N -4.37 0.17 -0.03 1.72 4.71 -1.26 -3.78 120.64 117.81 3b8f n GLU 54 Ca 0.02 0.17 -0.09 0.00 -0.01 0.00 0.00 57.16 57.25 3b8f n GLU 54 Cb 0.29 -1.71 -0.03 0.00 -1.01 0.00 0.00 31.44 28.97 3b8f n GLU 54 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 3b8f h THR 55 N 0.00 0.92 -0.64 2.62 2.02 -1.63 -1.83 112.91 114.37 3b8f h THR 55 Ca 0.00 -0.04 0.12 0.00 0.77 0.00 0.00 66.41 67.26 3b8f h THR 55 Cb 0.62 0.81 -0.09 0.00 -1.74 0.00 0.00 68.15 67.76 3b8f h THR 55 CO 0.00 0.02 0.19 1.23 0.37 0.00 0.00 175.52 177.33 3b8f h GLY 56 N 0.10 0.88 1.21 2.16 0.00 -1.81 -0.51 103.07 105.11 3b8f h GLY 56 Ca 0.08 -0.07 -0.20 0.00 0.00 0.00 0.00 47.33 47.14 3b8f h GLY 56 CO -0.10 -0.10 -0.63 0.00 0.00 0.00 0.00 176.54 175.71 3b8f h ALA 57 N 1.49 0.44 -0.65 3.60 0.00 -1.71 -1.87 119.26 120.56 3b8f h ALA 57 Ca 0.34 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 54.73 3b8f h ALA 57 Cb 0.50 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3b8f h ALA 57 CO -0.39 0.69 0.41 0.82 0.00 0.00 0.00 179.25 180.78 3b8f h ILE 58 N 0.60 1.10 -0.35 0.00 2.04 -0.96 -1.80 117.51 118.14 3b8f h ILE 58 Ca -0.01 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.51 3b8f h ILE 58 Cb 1.24 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3b8f h ILE 58 CO 0.13 0.15 -0.04 -0.07 0.00 0.00 0.00 178.15 178.32 3b8f h LEU 59 N 0.81 0.53 -0.48 1.44 3.38 -0.86 -1.11 115.31 119.02 3b8f h LEU 59 Ca 0.26 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3b8f h LEU 59 Cb 0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3b8f h LEU 59 CO -0.10 0.63 0.25 -0.33 0.09 0.00 0.00 178.44 178.98 3b8f h GLU 60 N 0.53 0.67 -1.00 1.13 5.08 -1.04 -0.00 114.58 119.95 3b8f h GLU 60 Ca 0.11 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3b8f h GLU 60 Cb 0.41 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 3b8f h GLU 60 CO 0.02 0.55 0.66 0.00 -1.00 0.00 0.00 179.01 179.24 3b8f h ALA 61 N 1.09 1.32 0.15 3.43 0.00 -0.63 0.08 119.26 124.69 3b8f h ALA 61 Ca 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3b8f h ALA 61 Cb 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3b8f h ALA 61 CO -0.02 0.58 -0.07 0.45 0.00 0.00 0.00 179.25 180.19 3b8f h HIS 62 N 1.30 -0.19 -0.51 0.00 3.86 -0.96 -0.14 115.15 118.51 3b8f h HIS 62 Ca 0.39 -0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.68 3b8f h HIS 62 Cb -0.04 0.06 -0.07 0.00 1.06 0.00 0.00 27.41 28.42 3b8f h HIS 62 CO -0.00 -0.11 0.13 -0.22 0.86 0.00 0.00 177.93 178.59 3b8f h LYS 63 N -0.22 0.27 -0.05 2.45 3.64 -0.58 -2.20 116.57 119.88 3b8f h LYS 63 Ca -0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3b8f h LYS 63 Cb 0.17 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3b8f h LYS 63 CO 0.03 0.18 0.00 1.19 -2.27 0.00 0.00 179.45 178.58 3b8f n PHE 64 N -5.08 0.05 -3.81 1.91 3.72 -0.02 -4.95 117.46 109.28 3b8f n PHE 64 Ca 0.06 -0.03 -0.27 0.00 -0.05 0.00 0.00 57.45 57.16 3b8f n PHE 64 Cb 0.24 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.79 3b8f n PHE 64 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3b8f n GLN 65 N -0.17 -2.71 -4.26 -1.08 6.02 -0.16 -5.00 117.38 110.02 3b8f n GLN 65 Ca 0.19 0.45 -0.24 0.00 -0.01 0.00 0.00 57.00 57.39 3b8f n GLN 65 Cb 0.26 -4.45 -0.07 0.00 1.02 0.00 0.00 30.24 27.00 3b8f n GLN 65 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3b8f s LYS 66 N -6.26 2.35 -0.28 -1.09 -0.14 -0.65 -5.05 119.74 108.62 3b8f s LYS 66 Ca 0.19 -1.31 -0.14 0.00 -1.36 0.00 0.00 55.97 53.35 3b8f s LYS 66 Cb -0.07 -2.24 -0.04 0.00 -1.68 0.00 0.00 37.83 33.81 3b8f s LYS 66 CO 0.87 0.39 0.34 0.21 -0.76 0.00 0.00 175.35 176.40 3b8f s LYS 67 N -3.44 3.97 0.08 1.68 2.20 -1.26 -4.73 119.74 118.24 3b8f s LYS 67 Ca 0.30 -0.05 -0.31 0.00 -0.36 0.00 0.00 55.97 55.55 3b8f s LYS 67 Cb -0.07 -3.67 -0.07 0.00 -1.51 0.00 0.00 37.83 32.51 3b8f s LYS 67 CO 0.20 -0.28 1.31 0.08 -0.36 0.00 0.00 175.35 176.29 3b8f s VAL 68 N 2.02 3.66 -0.09 4.02 1.01 -1.26 -0.86 120.40 128.88 3b8f s VAL 68 Ca 0.13 1.18 0.07 0.00 0.00 0.00 0.00 61.98 63.36 3b8f s VAL 68 Cb -0.16 -3.75 -0.11 0.00 0.00 0.00 0.00 36.38 32.36 3b8f s VAL 68 CO 0.10 0.08 0.02 0.35 0.00 0.00 0.00 175.10 175.65 3b8f n THR 69 N 4.00 0.63 -3.88 3.92 -2.24 -0.19 -4.79 114.28 111.72 3b8f n THR 69 Ca 0.11 -0.37 -0.11 0.00 -2.27 0.00 0.00 64.05 61.41 3b8f n THR 69 Cb 0.44 -0.78 -0.09 0.00 -2.10 0.00 0.00 70.33 67.80 3b8f n THR 69 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3b8f s HIS 70 N -2.22 0.09 0.01 4.78 3.76 -1.07 -1.04 115.29 119.59 3b8f s HIS 70 Ca -0.06 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 54.60 3b8f s HIS 70 Cb 0.03 -0.07 -0.01 0.00 1.11 0.00 0.00 32.58 33.64 3b8f s HIS 70 CO 0.36 -0.33 -0.02 0.45 -0.85 0.00 0.00 174.74 174.35 3b8f s SER 71 N -1.69 0.16 -0.02 1.40 0.15 0.21 -1.04 113.70 112.88 3b8f s SER 71 Ca -0.11 -0.20 -0.10 0.00 0.70 0.00 0.00 55.95 56.25 3b8f s SER 71 Cb -0.05 0.03 0.01 0.00 -1.71 0.00 0.00 66.02 64.30 3b8f s SER 71 CO -0.01 -0.11 0.21 -0.51 1.20 0.00 0.00 173.24 174.03 3b8f s ILE 72 N -0.56 0.06 -0.02 6.45 2.07 -0.60 -1.06 121.20 127.55 3b8f s ILE 72 Ca -0.06 -0.47 0.00 0.00 -1.41 0.00 0.00 60.65 58.71 3b8f s ILE 72 Cb -0.04 -0.46 0.02 0.00 0.13 0.00 0.00 42.46 42.11 3b8f s ILE 72 CO -0.00 -0.26 0.01 0.00 -1.91 0.00 0.00 174.94 172.78 3b8f s LEU 74 N 0.85 2.25 -0.01 0.00 1.43 -0.58 -1.05 118.68 121.56 3b8f s LEU 74 Ca -0.08 -0.61 -0.14 0.00 -1.03 0.00 0.00 54.13 52.27 3b8f s LEU 74 Cb -0.11 -0.87 0.02 0.00 0.03 0.00 0.00 46.19 45.26 3b8f s LEU 74 CO -0.02 0.08 0.30 0.00 0.23 0.00 0.00 176.35 176.94 3b8f s ALA 75 N -1.03 -0.74 -0.00 4.21 0.00 -0.49 -1.56 121.76 122.14 3b8f s ALA 75 Ca 0.06 0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.31 3b8f s ALA 75 Cb -0.09 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 3b8f s ALA 75 CO 0.03 -0.27 -0.09 -0.98 0.00 0.00 0.00 175.76 174.44 3b8f s ARG 76 N -1.46 0.75 0.22 0.00 1.70 0.52 -0.15 118.95 120.53 3b8f s ARG 76 Ca -0.13 -0.37 -0.08 0.00 -0.47 0.00 0.00 55.73 54.68 3b8f s ARG 76 Cb -0.05 -0.72 0.26 0.00 -0.57 0.00 0.00 34.95 33.87 3b8f s ARG 76 CO 0.03 0.19 1.81 1.49 -1.08 0.00 0.00 175.30 177.75 3b8f h GLU 77 N 5.80 0.71 -3.13 3.89 4.81 -1.85 -2.07 114.58 122.73 3b8f h GLU 77 Ca -0.31 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 58.81 3b8f h GLU 77 Cb 1.18 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 3b8f h GLU 77 CO 0.49 0.47 0.23 0.54 -0.73 0.00 0.00 179.01 180.00 3b8f s ASN 78 N -5.62 0.15 0.12 1.04 2.20 -1.25 -3.09 114.94 108.49 3b8f s ASN 78 Ca -0.13 -1.24 0.13 0.00 -0.94 0.00 0.00 52.86 50.68 3b8f s ASN 78 Cb 0.17 0.85 0.59 0.00 -2.00 0.00 0.00 41.25 40.85 3b8f s ASN 78 CO 0.76 -1.68 1.39 -1.84 -2.94 0.00 0.00 177.10 172.79 3b8f n GLU 79 N -0.54 0.07 -0.13 3.55 0.00 -1.24 -1.42 120.64 120.93 3b8f n GLU 79 Ca -0.08 0.46 0.09 0.00 0.00 0.00 0.00 57.16 57.63 3b8f n GLU 79 Cb 0.60 -1.67 0.15 0.00 0.00 0.00 0.00 31.44 30.52 3b8f n GLU 79 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3b8f n HIS 80 N -1.80 0.34 -4.27 -1.84 8.25 -1.26 -4.99 115.22 109.65 3b8f n HIS 80 Ca 0.01 -0.23 -0.27 0.00 -0.26 0.00 0.00 57.72 56.96 3b8f n HIS 80 Cb 0.09 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.10 3b8f n HIS 80 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3b8f s SER 81 N -1.25 4.35 0.55 0.41 0.01 -0.51 -5.10 113.70 112.16 3b8f s SER 81 Ca 0.28 -0.51 -0.19 0.00 1.31 0.00 0.00 55.95 56.83 3b8f s SER 81 Cb 0.17 -0.78 -0.06 0.00 0.21 0.00 0.00 66.02 65.56 3b8f s SER 81 CO 0.23 0.12 1.14 -1.83 0.41 0.00 0.00 173.24 173.30 3b8f s GLU 82 N -2.71 3.33 0.02 12.44 -1.05 -1.26 -4.77 118.70 124.69 3b8f s GLU 82 Ca 0.24 1.63 -0.30 0.00 -0.15 0.00 0.00 54.97 56.39 3b8f s GLU 82 Cb -0.09 -2.00 -0.05 0.00 -0.44 0.00 0.00 34.13 31.55 3b8f s GLU 82 CO 0.15 -0.88 1.25 -0.51 0.95 0.00 0.00 175.26 176.23 3b8f s LEU 83 N -3.82 4.34 0.02 1.83 1.43 -1.26 -4.49 118.68 116.72 3b8f s LEU 83 Ca 0.73 2.00 0.02 0.00 -1.03 0.00 0.00 54.13 55.86 3b8f s LEU 83 Cb -0.24 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 3b8f s LEU 83 CO 0.27 -0.56 0.01 -0.54 0.23 0.00 0.00 176.35 175.76 3b8f s LYS 84 N 1.62 2.75 -0.07 1.70 1.02 0.79 -4.90 119.74 122.65 3b8f s LYS 84 Ca 0.59 -0.66 -0.28 0.00 0.02 0.00 0.00 55.97 55.65 3b8f s LYS 84 Cb -0.29 -2.65 -0.02 0.00 -0.52 0.00 0.00 37.83 34.35 3b8f s LYS 84 CO 0.27 0.61 0.92 0.08 -0.92 0.00 0.00 175.35 176.30 3b8f s VAL 85 N -1.14 4.87 -0.28 3.17 1.01 -1.26 -1.40 120.40 125.36 3b8f s VAL 85 Ca 0.21 1.88 -0.05 0.00 0.00 0.00 0.00 61.98 64.03 3b8f s VAL 85 Cb -0.12 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.04 3b8f s VAL 85 CO 0.12 0.10 0.03 -0.76 0.00 0.00 0.00 175.10 174.60 3b8f s LEU 86 N 1.47 3.67 0.50 3.92 1.43 -0.22 -4.07 118.68 125.40 3b8f s LEU 86 Ca 0.46 -0.86 -0.21 0.00 -1.03 0.00 0.00 54.13 52.50 3b8f s LEU 86 Cb -0.19 -1.79 -0.10 0.00 0.03 0.00 0.00 46.19 44.15 3b8f s LEU 86 CO 0.21 -0.19 0.71 -1.20 0.23 0.00 0.00 176.35 176.10 3b8f n SER 87 N 4.77 -0.20 -4.76 2.29 7.64 -1.26 -4.09 113.62 118.01 3b8f n SER 87 Ca -0.15 0.86 -0.40 0.00 1.01 0.00 0.00 58.87 60.20 3b8f n SER 87 Cb 0.47 -1.23 0.02 0.00 -1.01 0.00 0.00 64.21 62.46 3b8f n SER 87 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3b8f s PRO 88 N -2.03 3.60 0.96 1.43 0.04 -1.26 -4.95 135.00 132.78 3b8f s PRO 88 Ca 0.67 2.41 -0.13 0.00 0.04 0.00 0.00 61.00 63.99 3b8f s PRO 88 Cb -0.51 -2.60 0.17 0.00 0.04 0.00 0.00 34.50 31.60 3b8f s PRO 88 CO 0.55 -0.88 1.14 0.00 0.04 0.00 0.00 177.00 177.85 3b8f h GLY 90 N -1.70 1.20 0.80 0.00 0.00 -1.99 -0.29 103.07 101.10 3b8f h GLY 90 Ca -0.50 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 46.51 3b8f h GLY 90 CO 0.56 0.09 0.02 -2.08 0.00 0.00 0.00 176.54 175.14 3b8f h VAL 91 N 0.70 1.22 0.00 4.60 2.07 -2.00 -2.17 116.25 120.67 3b8f h VAL 91 Ca 0.44 -0.72 -0.13 0.00 0.82 0.00 0.00 66.70 67.12 3b8f h VAL 91 Cb 0.70 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 3b8f h VAL 91 CO -0.20 0.21 -0.62 0.00 0.02 0.00 0.00 177.57 176.98 3b8f h GLN 93 N 0.00 0.63 -0.75 0.00 4.20 -0.94 -0.48 115.11 117.77 3b8f h GLN 93 Ca -0.01 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 3b8f h GLN 93 Cb 1.10 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.70 3b8f h GLN 93 CO 0.08 0.42 0.45 0.93 -0.67 0.00 0.00 178.83 180.04 3b8f h GLU 94 N 0.65 1.03 -0.39 1.46 4.39 -0.89 -0.65 114.58 120.17 3b8f h GLU 94 Ca 0.27 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 59.89 3b8f h GLU 94 Cb 0.13 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 3b8f h GLU 94 CO -0.16 0.73 0.22 0.00 -1.16 0.00 0.00 179.01 178.64 3b8f h ARG 95 N 1.03 0.43 0.00 2.33 3.08 -1.09 -2.97 114.38 117.20 3b8f h ARG 95 Ca 0.27 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.24 3b8f h ARG 95 Cb -0.04 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3b8f h ARG 95 CO -0.05 0.28 -0.28 -0.07 -1.07 0.00 0.00 179.97 178.78 3b8f h LEU 96 N 0.44 0.00 -0.67 3.04 3.38 -0.68 -2.67 115.31 118.14 3b8f h LEU 96 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3b8f h LEU 96 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3b8f h LEU 96 CO -0.09 0.28 0.00 0.49 0.09 0.00 0.00 178.44 179.22 3b8f n PHE 97 N -3.97 0.57 -0.34 1.13 3.01 -0.29 -0.99 117.46 116.58 3b8f n PHE 97 Ca -0.02 0.24 0.16 0.00 1.01 0.00 0.00 57.45 58.85 3b8f n PHE 97 Cb 0.35 -0.89 0.38 0.00 -0.01 0.00 0.00 39.48 39.30 3b8f n PHE 97 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 3b8f h TYR 98 N 0.00 0.97 -0.16 1.38 3.20 -1.55 0.56 116.97 121.38 3b8f h TYR 98 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3b8f h TYR 98 Cb 0.23 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.21 3b8f h TYR 98 CO 0.00 0.16 0.00 0.91 -1.64 0.00 0.00 178.16 177.59 3b8f n TRP 99 N -4.77 0.19 0.00 -3.82 8.01 -0.16 -4.90 117.44 112.00 3b8f n TRP 99 Ca 0.25 -0.10 0.00 0.00 -1.31 0.00 0.00 57.50 56.34 3b8f n TRP 99 Cb 0.67 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.97 3b8f n TRP 99 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3b8f n GLY 100 N 1.16 -0.04 0.00 6.99 0.00 0.19 -4.68 105.19 108.80 3b8f n GLY 100 Ca 0.17 -1.90 0.10 0.00 0.00 0.00 0.00 46.02 44.39 3b8f n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3b8f n PRO 101 N -0.10 0.27 0.00 1.61 -0.04 -1.26 -3.02 135.00 132.45 3b8f n PRO 101 Ca 0.00 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 3b8f n PRO 101 Cb 0.00 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.05 3b8f n PRO 101 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3b8f n GLU 102 N -1.29 2.13 -1.65 0.54 -0.58 -1.26 -1.81 120.64 116.72 3b8f n GLU 102 Ca 0.09 -1.76 -0.47 0.00 -0.42 0.00 0.00 57.16 54.61 3b8f n GLU 102 Cb 0.16 -1.46 -0.04 0.00 -0.57 0.00 0.00 31.44 29.53 3b8f n GLU 102 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3b8f n VAL 103 N 1.10 0.52 -3.51 2.62 0.31 -1.17 -4.69 118.33 113.51 3b8f n VAL 103 Ca 0.13 -0.13 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 3b8f n VAL 103 Cb 0.57 -1.33 -0.08 0.00 -0.91 0.00 0.00 33.84 32.10 3b8f n VAL 103 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3b8f s GLN 104 N 0.12 4.21 -0.06 5.55 -1.52 -0.21 -0.75 119.66 127.01 3b8f s GLN 104 Ca 0.74 0.07 0.05 0.00 -1.95 0.00 0.00 55.36 54.27 3b8f s GLN 104 Cb -0.72 -3.48 -0.01 0.00 -0.22 0.00 0.00 33.01 28.58 3b8f s GLN 104 CO 0.46 0.13 -0.22 0.00 -0.25 0.00 0.00 175.29 175.41 3b8f s ALA 106 N 0.02 3.59 0.02 0.00 0.00 -0.22 -0.98 121.76 124.19 3b8f s ALA 106 Ca -0.06 1.05 -0.01 0.00 0.00 0.00 0.00 51.96 52.94 3b8f s ALA 106 Cb -0.14 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 3b8f s ALA 106 CO 0.04 -0.74 0.18 0.96 0.00 0.00 0.00 175.76 176.20 3b8f s ILE 107 N 1.62 5.34 0.19 0.00 -4.36 -0.47 -4.05 121.20 119.46 3b8f s ILE 107 Ca 0.65 -0.28 -0.33 0.00 -0.26 0.00 0.00 60.65 60.43 3b8f s ILE 107 Cb -0.35 -3.54 -0.13 0.00 1.25 0.00 0.00 42.46 39.69 3b8f s ILE 107 CO 0.29 0.25 1.67 0.41 0.24 0.00 0.00 174.94 177.80 3b8f n THR 108 N 0.70 0.00 -3.66 8.37 -1.04 -1.26 -4.69 114.28 112.70 3b8f n THR 108 Ca -0.09 -0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.78 3b8f n THR 108 Cb 0.52 -1.81 -0.07 0.00 -1.82 0.00 0.00 70.33 67.15 3b8f n THR 108 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3b8f s ASN 109 N 1.07 -0.36 0.35 8.00 4.22 -1.26 -4.95 114.94 122.01 3b8f s ASN 109 Ca 0.77 0.26 0.06 0.00 -2.14 0.00 0.00 52.86 51.81 3b8f s ASN 109 Cb -0.57 0.41 0.74 0.00 1.28 0.00 0.00 41.25 43.11 3b8f s ASN 109 CO 0.34 -0.55 1.92 0.00 -2.04 0.00 0.00 177.10 176.78 3b8f h ALA 110 N 3.40 1.73 0.00 3.54 0.00 -1.97 -1.91 119.26 124.05 3b8f h ALA 110 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3b8f h ALA 110 Cb 1.17 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3b8f h ALA 110 CO 0.40 0.11 0.00 1.63 0.00 0.00 0.00 179.25 181.39 3b8f n LYS 111 N -4.51 0.02 -2.32 0.00 5.02 -1.26 -4.91 118.16 110.20 3b8f n LYS 111 Ca 0.13 0.02 -0.18 0.00 -2.02 0.00 0.00 58.31 56.27 3b8f n LYS 111 Cb 0.31 -1.53 -0.02 0.00 -0.02 0.00 0.00 35.03 33.78 3b8f n LYS 111 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3b8f n GLN 112 N -1.57 -1.84 -1.38 1.97 1.13 -0.72 -5.00 117.38 109.98 3b8f n GLN 112 Ca 0.07 0.88 -0.32 0.00 -1.94 0.00 0.00 57.00 55.69 3b8f n GLN 112 Cb 0.35 -5.49 0.09 0.00 0.11 0.00 0.00 30.24 25.29 3b8f n GLN 112 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3b8f s ASP 113 N -2.09 4.44 -0.43 1.08 1.01 -1.26 -4.87 116.67 114.55 3b8f s ASP 113 Ca 0.00 2.01 -0.18 0.00 0.71 0.00 0.00 52.55 55.10 3b8f s ASP 113 Cb 0.00 -2.55 0.02 0.00 1.01 0.00 0.00 42.92 41.41 3b8f s ASP 113 CO 0.00 -2.08 0.46 -0.63 0.21 0.00 0.00 175.17 173.13 3b8f s ILE 114 N -2.54 5.06 -0.18 0.77 -1.09 -1.26 -4.84 121.20 117.12 3b8f s ILE 114 Ca 0.66 -0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.74 3b8f s ILE 114 Cb -0.21 -4.06 0.04 0.00 -1.58 0.00 0.00 42.46 36.65 3b8f s ILE 114 CO 0.50 -0.46 -0.08 -0.63 -1.23 0.00 0.00 174.94 173.04 3b8f s ILE 115 N 2.20 1.38 -0.13 2.92 1.01 -1.26 -5.02 121.20 122.29 3b8f s ILE 115 Ca 0.13 -0.81 -0.19 0.00 0.00 0.00 0.00 60.65 59.78 3b8f s ILE 115 Cb -0.17 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 3b8f s ILE 115 CO 0.14 0.16 0.54 -0.36 0.00 0.00 0.00 174.94 175.42 3b8f s PHE 116 N 1.52 3.48 0.08 3.97 0.08 -1.26 -1.37 117.98 124.48 3b8f s PHE 116 Ca 0.00 0.94 0.09 0.00 0.12 0.00 0.00 56.93 58.08 3b8f s PHE 116 Cb -0.16 -2.65 -0.03 0.00 -0.57 0.00 0.00 43.02 39.62 3b8f s PHE 116 CO -0.08 0.07 -0.24 0.15 -0.10 0.00 0.00 175.22 175.02 3b8f s LYS 117 N 0.99 1.43 0.60 0.44 -0.14 -0.15 -4.86 119.74 118.04 3b8f s LYS 117 Ca 0.28 -1.15 -0.17 0.00 -1.36 0.00 0.00 55.97 53.56 3b8f s LYS 117 Cb -0.16 -1.71 -0.03 0.00 -1.68 0.00 0.00 37.83 34.25 3b8f s LYS 117 CO 0.12 0.42 1.11 -1.25 -0.76 0.00 0.00 175.35 174.99 3b8f s PRO 118 N -1.62 3.11 0.29 -1.68 0.04 -1.26 -0.52 135.00 133.37 3b8f s PRO 118 Ca 0.10 1.49 0.04 0.00 0.04 0.00 0.00 61.00 62.66 3b8f s PRO 118 Cb -0.10 -1.98 0.73 0.00 0.04 0.00 0.00 34.50 33.18 3b8f s PRO 118 CO 0.04 -1.02 1.70 -0.07 0.04 0.00 0.00 177.00 177.69 3b8f h LEU 119 N 0.64 0.36 -2.30 -3.56 3.38 -0.65 0.14 115.31 113.32 3b8f h LEU 119 Ca -0.48 0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.68 3b8f h LEU 119 Cb 1.25 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 3b8f h LEU 119 CO 0.56 0.02 0.17 0.07 0.09 0.00 0.00 178.44 179.34 3b8f h LYS 120 N 0.42 0.00 0.00 1.13 2.10 -1.62 -0.17 116.57 118.43 3b8f h LYS 120 Ca 0.56 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 59.05 3b8f h LYS 120 Cb 1.05 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.35 3b8f h LYS 120 CO -0.52 0.00 -1.12 0.93 -2.00 0.00 0.00 179.45 176.74 3b8f h GLU 121 N 0.00 0.00 0.00 0.07 5.08 -1.03 -2.87 114.58 115.83 3b8f h GLU 121 Ca 0.06 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 3b8f h GLU 121 Cb 0.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3b8f h GLU 121 CO -0.00 0.40 -0.53 -0.07 -1.00 0.00 0.00 179.01 177.80 3b8f h LEU 122 N 0.00 0.00 -6.40 1.33 4.07 -0.79 -3.38 115.31 110.13 3b8f h LEU 122 Ca -0.11 0.00 -0.59 0.00 0.08 0.00 0.00 57.88 57.26 3b8f h LEU 122 Cb 1.55 0.00 -0.39 0.00 1.08 0.00 0.00 40.66 42.90 3b8f h LEU 122 CO 0.06 0.53 -0.94 0.00 -1.08 0.00 0.00 178.44 177.01 3b8f n GLN 123 N -3.62 0.42 0.17 1.13 6.02 -0.21 -4.99 117.38 116.30 3b8f n GLN 123 Ca -0.00 -3.33 0.13 0.00 -0.01 0.00 0.00 57.00 53.79 3b8f n GLN 123 Cb 0.60 -1.70 0.59 0.00 1.02 0.00 0.00 30.24 30.74 3b8f n GLN 123 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3b8f h PRO 124 N 5.46 0.00 -0.92 -1.09 0.13 -1.69 -2.98 132.00 130.90 3b8f h PRO 124 Ca 0.24 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.79 3b8f h PRO 124 Cb 0.89 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.62 3b8f h PRO 124 CO 0.42 0.00 -0.49 0.66 -0.23 0.00 0.00 178.00 178.36 3b8f n TYR 125 N -2.40 2.92 -2.00 1.56 4.01 -1.26 -5.05 117.16 114.94 3b8f n TYR 125 Ca 0.01 -2.46 -0.40 0.00 -0.16 0.00 0.00 57.90 54.88 3b8f n TYR 125 Cb 0.17 -0.51 -0.01 0.00 -0.31 0.00 0.00 39.34 38.69 3b8f n TYR 125 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3b8f s HIS 126 N -3.64 2.83 0.57 -0.72 2.46 -1.13 -4.87 115.29 110.79 3b8f s HIS 126 Ca 0.53 1.35 0.27 0.00 0.47 0.00 0.00 55.06 57.67 3b8f s HIS 126 Cb 0.43 -3.77 1.54 0.00 -0.13 0.00 0.00 32.58 30.64 3b8f s HIS 126 CO -0.01 -2.26 2.06 0.11 -2.47 0.00 0.00 174.74 172.17 3b8f h TRP 127 N 3.01 0.00 0.00 3.88 5.08 -1.98 -1.73 115.95 124.21 3b8f h TRP 127 Ca -0.50 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.47 3b8f h TRP 127 Cb 1.24 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.40 3b8f h TRP 127 CO 0.54 0.00 -0.03 1.79 -1.28 0.00 0.00 178.44 179.46 3b8f h THR 128 N 0.00 0.33 -0.04 0.12 1.35 -1.96 -1.00 112.91 111.71 3b8f h THR 128 Ca 0.13 -0.16 0.01 0.00 -0.55 0.00 0.00 66.41 65.84 3b8f h THR 128 Cb 0.64 1.12 -0.00 0.00 -1.73 0.00 0.00 68.15 68.17 3b8f h THR 128 CO -0.00 0.03 0.10 -0.33 -0.25 0.00 0.00 175.52 175.07 3b8f h GLU 129 N 0.00 0.00 0.00 4.72 4.39 -1.67 -0.71 114.58 121.31 3b8f h GLU 129 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3b8f h GLU 129 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3b8f h GLU 129 CO 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.85 3b8f h ALA 130 N 1.84 1.00 -1.07 3.43 0.00 -1.39 -3.09 119.26 119.99 3b8f h ALA 130 Ca 0.02 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.46 3b8f h ALA 130 Cb 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.59 3b8f h ALA 130 CO -0.00 0.00 -0.92 0.66 0.00 0.00 0.00 179.25 178.98 3b8f n TYR 131 N -2.83 2.39 0.27 0.00 4.01 -0.29 -5.00 117.16 115.71 3b8f n TYR 131 Ca 0.02 -2.70 -0.16 0.00 -0.16 0.00 0.00 57.90 54.89 3b8f n TYR 131 Cb 0.31 -0.23 -0.08 0.00 -0.31 0.00 0.00 39.34 39.03 3b8f n TYR 131 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3b8f h HIS 132 N 2.60 -0.78 -0.46 -0.72 -0.00 -1.43 -1.12 115.15 113.24 3b8f h HIS 132 Ca 0.15 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.51 3b8f h HIS 132 Cb 1.17 0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 28.84 3b8f h HIS 132 CO 0.70 -0.45 0.29 -0.44 -0.00 0.00 0.00 177.93 178.02 3b8f h ASP 133 N -0.73 0.54 -0.73 3.26 5.19 -1.90 -0.22 116.42 121.84 3b8f h ASP 133 Ca -0.05 -0.04 0.05 0.00 -0.62 0.00 0.00 57.03 56.37 3b8f h ASP 133 Cb 0.60 -0.14 -0.05 0.00 0.18 0.00 0.00 39.33 39.92 3b8f h ASP 133 CO 0.04 0.43 0.43 -0.08 -3.12 0.00 0.00 179.24 176.94 3b8f h GLU 134 N 0.61 0.78 -0.24 3.56 4.81 -1.91 -0.45 114.58 121.74 3b8f h GLU 134 Ca 0.17 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.16 3b8f h GLU 134 Cb -0.03 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.18 3b8f h GLU 134 CO -0.03 0.51 -0.61 0.52 -0.73 0.00 0.00 179.01 178.67 3b8f h MET 135 N 0.80 0.82 -0.75 1.92 2.86 -0.84 -1.43 114.93 118.31 3b8f h MET 135 Ca 0.32 -0.56 0.02 0.00 -2.06 0.00 0.00 59.70 57.43 3b8f h MET 135 Cb 0.15 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 3b8f h MET 135 CO -0.17 1.18 0.48 0.28 1.06 0.00 0.00 176.91 179.75 3b8f h VAL 136 N 0.61 1.13 -0.32 -2.22 2.07 -0.79 0.12 116.25 116.85 3b8f h VAL 136 Ca -0.00 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.20 3b8f h VAL 136 Cb 1.22 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3b8f h VAL 136 CO 0.13 0.17 0.20 0.50 0.02 0.00 0.00 177.57 178.59 3b8f h LYS 137 N 0.95 0.40 0.09 1.57 3.64 -0.94 -0.99 116.57 121.29 3b8f h LYS 137 Ca 0.29 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3b8f h LYS 137 Cb -0.02 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3b8f h LYS 137 CO -0.10 0.26 -0.04 1.49 -2.27 0.00 0.00 179.45 178.79 3b8f h GLU 138 N 0.41 -0.12 0.00 1.90 4.57 -0.62 -2.78 114.58 117.94 3b8f h GLU 138 Ca 0.12 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 3b8f h GLU 138 Cb -0.03 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3b8f h GLU 138 CO -0.04 -0.02 -0.04 -1.49 -1.18 0.00 0.00 179.01 176.24 3b8f h TRP 139 N -0.18 0.00 0.00 0.92 6.55 -0.71 -2.13 115.95 120.39 3b8f h TRP 139 Ca -0.01 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.83 3b8f h TRP 139 Cb 0.15 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.45 3b8f h TRP 139 CO -0.05 0.04 0.00 -1.13 -1.05 0.00 0.00 178.44 176.25 3b8f n SER 140 N -4.44 0.30 0.18 -3.49 3.41 -0.38 -2.01 113.62 107.18 3b8f n SER 140 Ca -0.03 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 3b8f n SER 140 Cb 0.13 -0.64 0.38 0.00 -0.26 0.00 0.00 64.21 63.81 3b8f n SER 140 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3b8f h THR 141 N 0.00 0.00 0.00 6.66 2.02 -1.42 -3.51 112.91 116.65 3b8f h THR 141 Ca 0.00 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.54 3b8f h THR 141 Cb 0.27 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 3b8f h THR 141 CO 0.00 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.43