#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m94 s ILE 2 N 0.00 1.99 -0.12 1.12 -4.36 0.00 -4.94 121.20 114.90 1m94 s ILE 2 Ca 0.00 -2.25 0.00 0.00 -0.26 0.00 0.00 60.65 58.15 1m94 s ILE 2 Cb 0.00 -2.28 -0.02 0.00 1.25 0.00 0.00 42.46 41.41 1m94 s ILE 2 CO 0.00 -0.43 -0.13 -0.70 0.24 0.00 0.00 174.94 173.92 1m94 s GLU 3 N -3.62 3.24 0.12 0.37 -6.30 -1.26 -1.38 118.70 109.87 1m94 s GLU 3 Ca 0.27 -0.68 0.05 0.00 -2.50 0.00 0.00 54.97 52.11 1m94 s GLU 3 Cb -0.01 -2.59 -0.04 0.00 0.00 0.00 0.00 34.13 31.49 1m94 s GLU 3 CO 0.11 0.29 -0.13 0.14 0.02 0.00 0.00 175.26 175.69 1m94 s VAL 4 N 0.16 1.25 -0.23 3.70 -7.23 -0.75 0.67 120.40 117.97 1m94 s VAL 4 Ca -0.07 -1.75 -0.07 0.00 -1.81 0.00 0.00 61.98 58.28 1m94 s VAL 4 Cb -0.15 -1.54 -0.03 0.00 0.56 0.00 0.00 36.38 35.22 1m94 s VAL 4 CO 0.05 -0.48 0.06 0.68 -0.31 0.00 0.00 175.10 175.09 1m94 s VAL 5 N -2.34 4.34 -0.27 1.32 -7.23 -1.04 -2.33 120.40 112.85 1m94 s VAL 5 Ca 0.09 -0.17 -0.10 0.00 -1.81 0.00 0.00 61.98 59.99 1m94 s VAL 5 Cb -0.04 -3.00 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 1m94 s VAL 5 CO 0.02 0.38 0.15 -0.69 -0.31 0.00 0.00 175.10 174.65 1m94 s VAL 6 N 1.26 4.94 -0.28 1.32 1.01 0.03 -0.27 120.40 128.41 1m94 s VAL 6 Ca 0.05 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 1m94 s VAL 6 Cb -0.15 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.90 1m94 s VAL 6 CO 0.03 0.27 0.03 0.20 0.00 0.00 0.00 175.10 175.63 1m94 s ASN 7 N 1.70 4.87 0.34 3.32 0.01 -0.23 -1.41 114.94 123.54 1m94 s ASN 7 Ca 0.07 -0.77 -0.26 0.00 -0.71 0.00 0.00 52.86 51.19 1m94 s ASN 7 Cb -0.16 -1.81 -0.09 0.00 0.41 0.00 0.00 41.25 39.60 1m94 s ASN 7 CO 0.08 -0.17 1.02 -0.62 -1.51 0.00 0.00 177.10 175.90 1m94 s ASP 8 N 1.44 7.11 0.29 -1.22 2.15 1.00 -1.40 116.67 126.03 1m94 s ASP 8 Ca 0.02 2.03 -0.02 0.00 0.43 0.00 0.00 52.55 55.01 1m94 s ASP 8 Cb -0.17 -2.60 0.41 0.00 -0.30 0.00 0.00 42.92 40.27 1m94 s ASP 8 CO 0.00 -0.24 1.90 -0.09 -0.17 0.00 0.00 175.17 176.57 1m94 h ARG 9 N 3.12 0.99 -0.09 4.34 2.43 -1.80 -2.84 114.38 120.52 1m94 h ARG 9 Ca -0.47 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 58.57 1m94 h ARG 9 Cb 1.21 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1m94 h ARG 9 CO 0.65 0.74 0.04 -0.07 -1.51 0.00 0.00 179.97 179.81 1m94 h LEU 10 N 0.99 0.13 0.00 3.80 4.07 -1.92 -3.46 115.31 118.91 1m94 h LEU 10 Ca 0.25 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1m94 h LEU 10 Cb 0.06 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.77 1m94 h LEU 10 CO -0.04 0.26 0.00 0.61 -1.08 0.00 0.00 178.44 178.20 1m94 n GLY 11 N -0.67 -0.87 2.63 0.83 0.00 -1.07 -5.15 105.19 100.89 1m94 n GLY 11 Ca -0.06 0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1m94 n GLY 11 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1m94 s LYS 12 N 0.00 0.02 -0.33 1.61 2.47 -1.23 -4.94 119.74 117.33 1m94 s LYS 12 Ca 0.00 0.07 -0.08 0.00 -1.56 0.00 0.00 55.97 54.40 1m94 s LYS 12 Cb 0.00 -1.40 0.02 0.00 -1.46 0.00 0.00 37.83 34.99 1m94 s LYS 12 CO 0.00 -0.56 0.13 0.21 0.16 0.00 0.00 175.35 175.29 1m94 s LYS 13 N 2.15 2.96 0.05 4.03 2.20 -1.26 -0.00 119.74 129.88 1m94 s LYS 13 Ca 0.03 -0.96 0.07 0.00 -0.36 0.00 0.00 55.97 54.74 1m94 s LYS 13 Cb -0.15 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.62 1m94 s LYS 13 CO -0.07 -0.56 -0.18 0.08 -0.36 0.00 0.00 175.35 174.26 1m94 s VAL 14 N 1.52 1.46 -0.18 4.02 1.01 -0.50 -4.99 120.40 122.74 1m94 s VAL 14 Ca 0.02 -1.20 -0.06 0.00 0.00 0.00 0.00 61.98 60.73 1m94 s VAL 14 Cb -0.18 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1m94 s VAL 14 CO 0.04 0.06 0.03 -0.13 0.00 0.00 0.00 175.10 175.11 1m94 s ARG 15 N -1.34 3.85 -0.00 2.72 0.52 -1.26 -0.79 118.95 122.65 1m94 s ARG 15 Ca 0.05 -0.41 -0.00 0.00 -0.52 0.00 0.00 55.73 54.84 1m94 s ARG 15 Cb -0.09 -3.12 0.00 0.00 0.52 0.00 0.00 34.95 32.26 1m94 s ARG 15 CO 0.02 0.24 0.01 0.54 0.02 0.00 0.00 175.30 176.12 1m94 s VAL 16 N 0.44 -0.00 -0.02 3.52 0.11 -0.99 -5.00 120.40 118.46 1m94 s VAL 16 Ca 0.01 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.10 1m94 s VAL 16 Cb -0.13 -0.02 -0.03 0.00 -1.53 0.00 0.00 36.38 34.66 1m94 s VAL 16 CO 0.01 0.00 -0.09 -1.59 -3.33 0.00 0.00 175.10 170.11 1m94 s LYS 17 N 0.05 2.54 0.20 1.54 0.00 -1.26 -1.81 119.74 120.99 1m94 s LYS 17 Ca -0.00 -0.71 -0.18 0.00 0.00 0.00 0.00 55.97 55.08 1m94 s LYS 17 Cb -0.01 -2.47 0.03 0.00 0.00 0.00 0.00 37.83 35.38 1m94 s LYS 17 CO -0.00 0.61 0.53 0.00 0.00 0.00 0.00 175.35 176.49 1m94 s LEU 19 N -2.87 4.01 0.53 0.00 1.43 -1.26 -0.82 118.68 119.70 1m94 s LEU 19 Ca 0.09 1.21 0.30 0.00 -1.03 0.00 0.00 54.13 54.71 1m94 s LEU 19 Cb -0.01 -4.03 1.43 0.00 0.03 0.00 0.00 46.19 43.60 1m94 s LEU 19 CO -0.03 -0.24 2.03 0.00 0.23 0.00 0.00 176.35 178.34 1m94 h ALA 20 N 2.03 1.11 0.00 4.21 0.00 -1.95 -1.99 119.26 122.68 1m94 h ALA 20 Ca -0.48 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 1m94 h ALA 20 Cb 1.18 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1m94 h ALA 20 CO 0.65 0.13 -0.14 1.05 0.00 0.00 0.00 179.25 180.94 1m94 h GLU 21 N 0.00 0.00 -7.14 0.00 -0.00 -1.95 0.85 114.58 106.34 1m94 h GLU 21 Ca -0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 59.36 58.84 1m94 h GLU 21 Cb 0.44 0.00 0.11 0.00 -0.00 0.00 0.00 28.75 29.29 1m94 h GLU 21 CO 0.01 0.14 0.42 -0.51 -0.00 0.00 0.00 179.01 179.07 1m94 s ASP 22 N -6.27 5.14 0.59 3.06 1.01 -0.75 -4.70 116.67 114.75 1m94 s ASP 22 Ca 0.06 2.22 -0.05 0.00 0.71 0.00 0.00 52.55 55.49 1m94 s ASP 22 Cb 0.06 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 41.43 1m94 s ASP 22 CO 0.69 -1.62 0.89 -0.94 0.21 0.00 0.00 175.17 174.40 1m94 s SER 23 N -1.99 5.46 0.46 0.27 1.04 -1.26 -1.49 113.70 116.20 1m94 s SER 23 Ca 0.73 0.59 0.11 0.00 0.48 0.00 0.00 55.95 57.86 1m94 s SER 23 Cb -0.26 -1.54 1.05 0.00 0.10 0.00 0.00 66.02 65.38 1m94 s SER 23 CO 0.36 -1.13 2.10 0.58 0.98 0.00 0.00 173.24 176.13 1m94 h VAL 24 N -0.18 1.05 -0.13 5.02 2.07 -1.58 -1.60 116.25 120.90 1m94 h VAL 24 Ca -0.45 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1m94 h VAL 24 Cb 1.27 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1m94 h VAL 24 CO 0.60 0.05 0.08 1.23 0.02 0.00 0.00 177.57 179.55 1m94 h GLY 25 N 0.29 0.18 1.18 2.17 0.00 -1.80 0.38 103.07 105.47 1m94 h GLY 25 Ca 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1m94 h GLY 25 CO -0.02 0.06 0.38 -1.80 0.00 0.00 0.00 176.54 175.16 1m94 h ASP 26 N 0.17 0.96 -0.48 0.19 1.82 -1.70 -0.64 116.42 116.74 1m94 h ASP 26 Ca 0.05 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1m94 h ASP 26 Cb -0.02 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 39.72 1m94 h ASP 26 CO -0.01 0.80 0.30 0.15 -1.61 0.00 0.00 179.24 178.88 1m94 h PHE 27 N 1.07 0.62 0.00 0.28 3.04 -0.59 -1.26 116.94 120.10 1m94 h PHE 27 Ca 0.26 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.15 1m94 h PHE 27 Cb 0.08 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.38 1m94 h PHE 27 CO 0.01 0.41 -0.34 0.87 -2.02 0.00 0.00 178.31 177.25 1m94 h LYS 28 N 0.65 0.00 -0.17 1.11 1.57 -0.39 -1.62 116.57 117.72 1m94 h LYS 28 Ca 0.17 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 1m94 h LYS 28 Cb -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1m94 h LYS 28 CO -0.04 0.34 -0.13 0.87 -0.57 0.00 0.00 179.45 179.92 1m94 h LYS 29 N 0.00 0.39 -0.44 3.15 1.57 -0.20 0.14 116.57 121.18 1m94 h LYS 29 Ca -0.00 -0.19 -0.14 0.00 -1.87 0.00 0.00 60.65 58.45 1m94 h LYS 29 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1m94 h LYS 29 CO 0.04 0.73 -0.26 0.28 -0.57 0.00 0.00 179.45 179.68 1m94 h VAL 30 N 0.05 1.27 -0.35 0.50 2.07 -1.13 -3.12 116.25 115.54 1m94 h VAL 30 Ca 0.03 -1.42 -0.11 0.00 0.82 0.00 0.00 66.70 66.02 1m94 h VAL 30 Cb 0.65 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1m94 h VAL 30 CO 0.03 0.48 -0.22 0.25 0.02 0.00 0.00 177.57 178.14 1m94 h LEU 31 N 0.79 0.81 -1.95 2.57 5.85 -1.29 -2.99 115.31 119.10 1m94 h LEU 31 Ca 0.09 -0.43 0.20 0.00 0.84 0.00 0.00 57.88 58.59 1m94 h LEU 31 Cb 0.84 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1m94 h LEU 31 CO 0.07 1.06 0.51 -1.28 -0.34 0.00 0.00 178.44 178.46 1m94 h SER 32 N 0.56 0.05 -0.11 1.25 0.87 -0.65 0.27 113.55 115.78 1m94 h SER 32 Ca 0.07 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.54 1m94 h SER 32 Cb 0.78 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 1m94 h SER 32 CO 0.06 0.02 -0.23 -0.07 -0.53 0.00 0.00 176.83 176.08 1m94 h LEU 33 N 0.05 0.54 0.00 2.23 3.38 -1.47 0.44 115.31 120.47 1m94 h LEU 33 Ca 0.34 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1m94 h LEU 33 Cb 1.29 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1m94 h LEU 33 CO -0.02 0.77 -0.27 1.56 0.09 0.00 0.00 178.44 180.57 1m94 h GLN 34 N 0.48 0.00 0.00 1.13 4.20 -1.08 -3.35 115.11 116.48 1m94 h GLN 34 Ca 0.07 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 1m94 h GLN 34 Cb 0.66 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1m94 h GLN 34 CO 0.05 0.76 -0.37 -0.84 -0.67 0.00 0.00 178.83 177.76 1m94 h ILE 35 N -1.00 0.80 -4.71 2.54 3.07 -1.41 -3.47 117.51 113.33 1m94 h ILE 35 Ca -0.07 -1.60 -0.25 0.00 1.55 0.00 0.00 64.86 64.49 1m94 h ILE 35 Cb 0.85 2.01 0.12 0.00 -0.27 0.00 0.00 36.82 39.53 1m94 h ILE 35 CO -0.04 0.36 -0.57 0.61 -1.05 0.00 0.00 178.15 177.47 1m94 n GLY 36 N 0.46 -0.16 0.20 0.16 0.00 0.15 -4.93 105.19 101.07 1m94 n GLY 36 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.00 1m94 n GLY 36 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1m94 n THR 37 N -3.46 0.57 -0.96 2.61 -1.04 -1.22 -5.06 114.28 105.71 1m94 n THR 37 Ca -0.19 -0.78 0.00 0.00 -2.04 0.00 0.00 64.05 61.04 1m94 n THR 37 Cb 0.62 0.75 0.00 0.00 -1.82 0.00 0.00 70.33 69.88 1m94 n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1m94 n GLN 38 N 0.01 -2.52 0.00 -2.82 6.02 -1.26 -3.68 117.38 113.12 1m94 n GLN 38 Ca 0.03 1.96 0.11 0.00 -0.01 0.00 0.00 57.00 59.09 1m94 n GLN 38 Cb 0.22 -2.44 0.50 0.00 1.02 0.00 0.00 30.24 29.54 1m94 n GLN 38 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1m94 n PRO 39 N -2.14 0.14 0.00 -1.09 -0.04 -1.26 -2.78 135.00 127.82 1m94 n PRO 39 Ca 0.00 0.11 0.10 0.00 -0.04 0.00 0.00 63.50 63.67 1m94 n PRO 39 Cb 0.29 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.28 1m94 n PRO 39 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1m94 n ASN 40 N -1.41 2.21 -0.14 3.54 4.13 -1.26 -4.36 115.26 117.97 1m94 n ASN 40 Ca 0.07 -1.60 0.08 0.00 1.68 0.00 0.00 54.58 54.81 1m94 n ASN 40 Cb 0.22 0.31 0.11 0.00 -1.54 0.00 0.00 39.78 38.88 1m94 n ASN 40 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1m94 n LYS 41 N 0.39 1.09 -4.79 3.52 4.01 -1.12 -4.90 118.16 116.36 1m94 n LYS 41 Ca 0.10 -2.29 -0.33 0.00 -0.51 0.00 0.00 58.31 55.28 1m94 n LYS 41 Cb 0.46 -1.32 -0.14 0.00 -0.51 0.00 0.00 35.03 33.52 1m94 n LYS 41 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1m94 s ILE 42 N -2.35 3.07 -0.23 -0.18 1.01 -1.23 -2.55 121.20 118.74 1m94 s ILE 42 Ca 0.26 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.26 1m94 s ILE 42 Cb 0.23 -2.27 0.05 0.00 0.01 0.00 0.00 42.46 40.48 1m94 s ILE 42 CO 0.02 0.54 -0.09 -0.69 0.00 0.00 0.00 174.94 174.72 1m94 s VAL 43 N 0.17 1.75 -0.07 2.92 1.01 0.33 -4.92 120.40 121.58 1m94 s VAL 43 Ca -0.07 -1.27 -0.07 0.00 0.00 0.00 0.00 61.98 60.57 1m94 s VAL 43 Cb -0.15 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1m94 s VAL 43 CO 0.05 0.01 0.19 -0.76 0.00 0.00 0.00 175.10 174.59 1m94 s LEU 44 N 1.31 4.39 0.09 3.92 1.43 -1.26 -0.24 118.68 128.33 1m94 s LEU 44 Ca -0.05 0.52 0.06 0.00 -1.03 0.00 0.00 54.13 53.63 1m94 s LEU 44 Cb -0.18 -2.29 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 1m94 s LEU 44 CO -0.07 0.36 -0.16 -1.10 0.23 0.00 0.00 176.35 175.61 1m94 s GLN 45 N -1.27 0.95 -0.26 1.70 -1.52 -0.85 -1.03 119.66 117.39 1m94 s GLN 45 Ca 0.19 -1.07 -0.02 0.00 -1.95 0.00 0.00 55.36 52.52 1m94 s GLN 45 Cb -0.13 -1.03 0.08 0.00 -0.22 0.00 0.00 33.01 31.71 1m94 s GLN 45 CO 0.09 0.23 0.07 0.21 -0.25 0.00 0.00 175.29 175.63 1m94 s LYS 46 N -1.94 0.72 -1.10 2.91 2.20 -0.14 -1.05 119.74 121.35 1m94 s LYS 46 Ca 0.02 -0.80 -0.01 0.00 -0.36 0.00 0.00 55.97 54.82 1m94 s LYS 46 Cb -0.09 -2.02 0.00 0.00 -1.51 0.00 0.00 37.83 34.21 1m94 s LYS 46 CO 0.03 -0.84 0.92 0.41 -0.36 0.00 0.00 175.35 175.51 1m94 n GLY 47 N 4.93 -0.29 2.77 5.54 0.00 -1.26 -3.01 105.19 113.86 1m94 n GLY 47 Ca -0.05 0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 1m94 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m94 n GLY 48 N -1.22 -0.08 2.98 -0.02 0.00 -1.26 -5.03 105.19 100.55 1m94 n GLY 48 Ca -0.22 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 1m94 n GLY 48 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1m94 s SER 49 N -3.60 -0.13 -0.10 1.61 0.15 -1.16 -5.13 113.70 105.34 1m94 s SER 49 Ca 0.18 0.27 -0.30 0.00 0.70 0.00 0.00 55.95 56.81 1m94 s SER 49 Cb -0.08 0.24 -0.01 0.00 -1.71 0.00 0.00 66.02 64.45 1m94 s SER 49 CO 0.49 -0.08 1.03 0.68 1.20 0.00 0.00 173.24 176.56 1m94 s VAL 50 N 0.47 4.72 -0.15 4.45 -7.23 -1.26 -0.97 120.40 120.43 1m94 s VAL 50 Ca -0.03 1.99 -0.16 0.00 -1.81 0.00 0.00 61.98 61.97 1m94 s VAL 50 Cb -0.05 -4.28 -0.04 0.00 0.56 0.00 0.00 36.38 32.57 1m94 s VAL 50 CO -0.02 0.01 0.37 -0.76 -0.31 0.00 0.00 175.10 174.39 1m94 s LEU 51 N 2.01 4.24 0.09 1.32 1.43 -0.19 -4.94 118.68 122.64 1m94 s LEU 51 Ca 0.49 0.61 0.08 0.00 -1.03 0.00 0.00 54.13 54.28 1m94 s LEU 51 Cb -0.19 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 1m94 s LEU 51 CO 0.19 0.04 -0.16 -0.54 0.23 0.00 0.00 176.35 176.11 1m94 s LYS 52 N 0.65 1.97 0.51 1.70 1.02 -1.26 -4.52 119.74 119.81 1m94 s LYS 52 Ca 0.20 -1.07 0.16 0.00 0.02 0.00 0.00 55.97 55.28 1m94 s LYS 52 Cb -0.14 -2.19 1.23 0.00 -0.52 0.00 0.00 37.83 36.21 1m94 s LYS 52 CO 0.07 0.51 2.11 0.38 -0.92 0.00 0.00 175.35 177.50 1m94 h ASP 53 N 3.96 0.00 0.42 2.83 2.03 -1.95 -1.44 116.42 122.27 1m94 h ASP 53 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 1m94 h ASP 53 Cb 1.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 1m94 h ASP 53 CO 0.48 0.05 0.00 0.45 -1.03 0.00 0.00 179.24 179.19 1m94 h HIS 54 N 0.00 0.00 -3.39 4.15 3.86 -1.97 -3.36 115.15 114.45 1m94 h HIS 54 Ca -0.00 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.55 1m94 h HIS 54 Cb 0.09 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.42 1m94 h HIS 54 CO 0.00 0.00 -0.65 0.42 0.86 0.00 0.00 177.93 178.56 1m94 s ILE 55 N -3.63 4.06 0.49 2.45 1.09 -0.54 -5.02 121.20 120.10 1m94 s ILE 55 Ca -0.00 -0.72 -0.10 0.00 -1.10 0.00 0.00 60.65 58.72 1m94 s ILE 55 Cb 0.09 -2.84 -0.05 0.00 -1.06 0.00 0.00 42.46 38.60 1m94 s ILE 55 CO 0.37 0.31 0.88 -0.55 -0.10 0.00 0.00 174.94 175.85 1m94 s SER 56 N -1.73 6.41 0.36 3.58 0.15 -1.26 -2.17 113.70 119.04 1m94 s SER 56 Ca 0.21 1.23 0.05 0.00 0.70 0.00 0.00 55.95 58.15 1m94 s SER 56 Cb -0.12 -2.37 0.69 0.00 -1.71 0.00 0.00 66.02 62.51 1m94 s SER 56 CO 0.12 -0.59 1.94 -0.07 1.20 0.00 0.00 173.24 175.84 1m94 h LEU 57 N 0.58 0.47 -1.75 3.45 3.38 -1.35 -1.89 115.31 118.21 1m94 h LEU 57 Ca -0.46 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 1m94 h LEU 57 Cb 1.19 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1m94 h LEU 57 CO 0.62 0.48 -0.06 1.05 0.09 0.00 0.00 178.44 180.63 1m94 h GLU 58 N 0.51 0.08 -0.28 1.13 4.11 -1.05 -1.35 114.58 117.73 1m94 h GLU 58 Ca 0.12 -0.01 -0.14 0.00 0.07 0.00 0.00 59.36 59.40 1m94 h GLU 58 Cb 0.20 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1m94 h GLU 58 CO -0.00 0.15 -0.36 -0.44 0.07 0.00 0.00 179.01 178.43 1m94 h ASP 59 N 0.08 0.80 1.03 3.06 3.32 -1.63 -2.78 116.42 120.29 1m94 h ASP 59 Ca 0.02 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1m94 h ASP 59 Cb 0.16 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1m94 h ASP 59 CO 0.01 1.14 0.00 1.88 -1.72 0.00 0.00 179.24 180.54 1m94 h TYR 60 N 0.47 0.00 -3.27 4.55 0.05 -1.33 -3.47 116.97 113.97 1m94 h TYR 60 Ca 0.03 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.75 1m94 h TYR 60 Cb 0.94 0.00 0.04 0.00 1.01 0.00 0.00 36.73 38.73 1m94 h TYR 60 CO 0.08 0.00 -0.19 -1.91 -1.05 0.00 0.00 178.16 175.09 1m94 n GLU 61 N -2.56 -0.91 -2.85 4.88 2.13 -0.56 -5.00 120.64 115.77 1m94 n GLU 61 Ca 0.02 0.20 -0.42 0.00 0.66 0.00 0.00 57.16 57.62 1m94 n GLU 61 Cb 0.31 -2.80 -0.04 0.00 0.27 0.00 0.00 31.44 29.18 1m94 n GLU 61 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1m94 s VAL 62 N -3.09 4.76 0.46 6.31 1.01 -1.11 -5.04 120.40 123.71 1m94 s VAL 62 Ca 0.06 1.54 0.08 0.00 0.00 0.00 0.00 61.98 63.67 1m94 s VAL 62 Cb -0.01 -4.19 0.03 0.00 0.00 0.00 0.00 36.38 32.21 1m94 s VAL 62 CO 0.17 -0.18 0.60 -1.00 0.00 0.00 0.00 175.10 174.69 1m94 s HIS 63 N 3.02 2.48 0.28 5.22 3.76 -1.26 -4.92 115.29 123.87 1m94 s HIS 63 Ca 0.37 -0.48 -0.29 0.00 -0.15 0.00 0.00 55.06 54.50 1m94 s HIS 63 Cb -0.15 -2.32 -0.10 0.00 1.11 0.00 0.00 32.58 31.13 1m94 s HIS 63 CO 0.10 -0.56 1.22 0.34 -0.85 0.00 0.00 174.74 174.98 1m94 s ASP 64 N -4.40 7.01 -1.43 1.40 -1.08 -1.26 -2.97 116.67 113.94 1m94 s ASP 64 Ca 0.56 2.44 -0.04 0.00 -0.52 0.00 0.00 52.55 54.99 1m94 s ASP 64 Cb -0.08 -2.63 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 1m94 s ASP 64 CO 0.34 -0.36 0.52 0.00 0.52 0.00 0.00 175.17 176.19 1m94 n GLN 65 N 1.35 -4.30 -2.49 4.34 3.00 0.21 -4.94 117.38 114.57 1m94 n GLN 65 Ca 0.01 0.84 -0.24 0.00 -0.01 0.00 0.00 57.00 57.59 1m94 n GLN 65 Cb 0.43 -5.52 0.04 0.00 0.00 0.00 0.00 30.24 25.20 1m94 n GLN 65 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1m94 s THR 66 N -3.11 2.95 -0.25 5.09 -1.32 -1.16 -4.89 115.64 112.95 1m94 s THR 66 Ca 0.26 -0.36 -0.12 0.00 -1.21 0.00 0.00 61.69 60.26 1m94 s THR 66 Cb -0.11 -3.17 -0.05 0.00 -1.51 0.00 0.00 72.50 67.66 1m94 s THR 66 CO 0.32 -0.15 0.23 0.21 -2.21 0.00 0.00 174.62 173.01 1m94 s ASN 67 N -4.40 6.15 0.05 8.08 3.84 -1.26 -2.49 114.94 124.92 1m94 s ASN 67 Ca 0.56 0.16 0.06 0.00 0.21 0.00 0.00 52.86 53.84 1m94 s ASN 67 Cb -0.10 -2.14 -0.04 0.00 -0.55 0.00 0.00 41.25 38.42 1m94 s ASN 67 CO 0.42 -0.01 -0.10 -0.76 -2.79 0.00 0.00 177.10 173.85 1m94 s LEU 68 N 1.40 3.02 0.07 3.21 2.01 0.63 -4.66 118.68 124.34 1m94 s LEU 68 Ca 0.10 -0.30 0.01 0.00 0.01 0.00 0.00 54.13 53.95 1m94 s LEU 68 Cb -0.15 -1.78 -0.04 0.00 0.01 0.00 0.00 46.19 44.23 1m94 s LEU 68 CO 0.07 0.23 0.14 -1.61 1.01 0.00 0.00 176.35 176.20 1m94 s GLU 69 N -1.77 3.16 -0.02 1.70 8.01 -0.22 -1.06 118.70 128.49 1m94 s GLU 69 Ca 0.19 -0.56 0.06 0.00 0.01 0.00 0.00 54.97 54.66 1m94 s GLU 69 Cb -0.11 -2.88 -0.01 0.00 -4.31 0.00 0.00 34.13 26.81 1m94 s GLU 69 CO 0.10 0.59 -0.19 -1.17 0.01 0.00 0.00 175.26 174.60 1m94 s LEU 70 N -2.43 2.01 0.01 1.80 2.96 -0.49 -2.01 118.68 120.53 1m94 s LEU 70 Ca 0.32 -0.35 -0.00 0.00 -0.22 0.00 0.00 54.13 53.88 1m94 s LEU 70 Cb -0.13 -0.99 -0.01 0.00 0.50 0.00 0.00 46.19 45.57 1m94 s LEU 70 CO 0.25 0.22 -0.01 -0.31 -1.32 0.00 0.00 176.35 175.17 1m94 s TYR 71 N -0.34 0.14 -0.19 5.38 2.02 0.67 -2.35 117.35 122.67 1m94 s TYR 71 Ca 0.05 -0.28 -0.07 0.00 -0.37 0.00 0.00 57.07 56.40 1m94 s TYR 71 Cb -0.08 -0.10 -0.04 0.00 -0.40 0.00 0.00 41.96 41.34 1m94 s TYR 71 CO -0.00 -0.10 0.06 0.71 -1.57 0.00 0.00 175.55 174.65 1m94 s TYR 72 N -0.78 3.22 -2.38 2.71 2.02 -1.26 -0.51 117.35 120.37 1m94 s TYR 72 Ca -0.09 -0.00 0.29 0.00 -0.37 0.00 0.00 57.07 56.90 1m94 s TYR 72 Cb -0.05 -2.11 1.26 0.00 -0.40 0.00 0.00 41.96 40.66 1m94 s TYR 72 CO -0.01 0.07 1.87 -0.11 -1.57 0.00 0.00 175.55 175.80