#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 1.52 -0.26 2.02 -4.36 0.51 -4.94 121.20 115.69 1m94 s ILE 2 Ca 0.00 -2.11 -0.10 0.00 -0.26 0.00 0.00 60.65 58.18 1m94 s ILE 2 Cb 0.00 -1.93 -0.04 0.00 1.25 0.00 0.00 42.46 41.74 1m94 s ILE 2 CO 0.00 -0.63 0.14 -0.70 0.24 0.00 0.00 174.94 174.00 1m94 s GLU 3 N -3.58 3.89 0.18 0.37 2.56 -1.26 -1.58 118.70 119.28 1m94 s GLU 3 Ca 0.19 -0.36 0.09 0.00 0.00 0.00 0.00 54.97 54.89 1m94 s GLU 3 Cb -0.00 -3.52 -0.04 0.00 2.00 0.00 0.00 34.13 32.57 1m94 s GLU 3 CO 0.04 -0.12 -0.07 0.08 -0.56 0.00 0.00 175.26 174.64 1m94 s VAL 4 N 1.53 3.32 -0.05 3.70 1.01 -0.35 -0.11 120.40 129.44 1m94 s VAL 4 Ca 0.07 -1.62 0.01 0.00 0.00 0.00 0.00 61.98 60.43 1m94 s VAL 4 Cb -0.15 -2.66 0.02 0.00 0.00 0.00 0.00 36.38 33.59 1m94 s VAL 4 CO 0.07 -0.13 -0.04 0.68 0.00 0.00 0.00 175.10 175.68 1m94 s VAL 5 N -1.75 0.55 -0.07 2.92 -7.23 -1.02 -1.33 120.40 112.46 1m94 s VAL 5 Ca 0.26 -0.10 0.03 0.00 -1.81 0.00 0.00 61.98 60.36 1m94 s VAL 5 Cb -0.09 -0.59 -0.02 0.00 0.56 0.00 0.00 36.38 36.24 1m94 s VAL 5 CO 0.16 0.24 -0.17 0.68 -0.31 0.00 0.00 175.10 175.70 1m94 s VAL 6 N 1.10 2.73 -0.22 1.32 -7.23 0.28 -0.59 120.40 117.79 1m94 s VAL 6 Ca -0.08 -0.82 -0.09 0.00 -1.81 0.00 0.00 61.98 59.18 1m94 s VAL 6 Cb -0.14 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 1m94 s VAL 6 CO -0.01 0.57 0.13 0.20 -0.31 0.00 0.00 175.10 175.67 1m94 s ASN 7 N -0.25 5.93 0.82 4.85 0.01 -0.51 -0.49 114.94 125.30 1m94 s ASN 7 Ca 0.01 0.09 -0.11 0.00 -0.71 0.00 0.00 52.86 52.14 1m94 s ASN 7 Cb -0.13 -2.06 0.12 0.00 0.41 0.00 0.00 41.25 39.59 1m94 s ASN 7 CO 0.03 0.10 1.16 -1.81 -1.51 0.00 0.00 177.10 175.06 1m94 s ASP 8 N 0.86 4.15 0.36 -1.22 1.11 -0.34 -2.12 116.67 119.47 1m94 s ASP 8 Ca 0.06 0.42 0.04 0.00 0.18 0.00 0.00 52.55 53.25 1m94 s ASP 8 Cb -0.13 -0.81 0.70 0.00 1.07 0.00 0.00 42.92 43.75 1m94 s ASP 8 CO 0.03 -2.07 2.01 0.08 1.18 0.00 0.00 175.17 176.40 1m94 h ARG 9 N -1.06 0.76 0.00 8.23 0.11 -1.87 -3.43 114.38 117.12 1m94 h ARG 9 Ca -0.44 -0.05 -0.09 0.00 0.10 0.00 0.00 59.98 59.51 1m94 h ARG 9 Cb 1.29 -0.17 0.03 0.00 1.11 0.00 0.00 29.97 32.23 1m94 h ARG 9 CO 0.53 0.50 0.07 1.28 0.10 0.00 0.00 179.97 182.45 1m94 n LEU 10 N -4.45 0.00 -3.61 0.08 4.32 -1.26 -4.92 117.00 107.15 1m94 n LEU 10 Ca 0.07 -0.32 -0.41 0.00 -0.02 0.00 0.00 56.01 55.33 1m94 n LEU 10 Cb 0.08 -0.18 -0.01 0.00 -1.62 0.00 0.00 43.42 41.69 1m94 n LEU 10 CO 0.35 -0.66 2.57 0.61 -1.22 0.00 0.00 177.39 179.04 1m94 n GLY 11 N 3.35 4.69 3.37 -0.72 0.00 -1.26 -4.87 105.19 109.74 1m94 n GLY 11 Ca 0.03 -1.83 -0.15 0.00 0.00 0.00 0.00 46.02 44.07 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 1.06 0.87 0.05 1.61 2.20 -1.26 -5.08 119.74 119.19 1m94 s LYS 12 Ca 0.52 -0.01 0.01 0.00 -0.36 0.00 0.00 55.97 56.13 1m94 s LYS 12 Cb 0.15 0.40 -0.03 0.00 -1.51 0.00 0.00 37.83 36.84 1m94 s LYS 12 CO -0.06 -0.26 -0.06 -1.59 -0.36 0.00 0.00 175.35 173.02 1m94 s LYS 13 N -1.40 0.58 -0.02 4.03 -2.85 -1.26 -1.19 119.74 117.62 1m94 s LYS 13 Ca -0.12 -0.92 0.07 0.00 -1.00 0.00 0.00 55.97 54.01 1m94 s LYS 13 Cb -0.03 -0.16 -0.02 0.00 -2.06 0.00 0.00 37.83 35.56 1m94 s LYS 13 CO 0.06 0.00 -0.24 0.08 0.10 0.00 0.00 175.35 175.35 1m94 s VAL 14 N -2.19 1.93 0.01 1.79 1.01 0.35 -4.93 120.40 118.38 1m94 s VAL 14 Ca -0.04 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.92 1m94 s VAL 14 Cb -0.05 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1m94 s VAL 14 CO -0.02 0.55 -0.01 0.00 0.00 0.00 0.00 175.10 175.62 1m94 s ARG 15 N -0.55 2.74 -0.15 2.72 1.70 -1.26 -0.56 118.95 123.60 1m94 s ARG 15 Ca 0.09 -0.64 -0.12 0.00 -0.47 0.00 0.00 55.73 54.58 1m94 s ARG 15 Cb -0.10 -2.64 0.04 0.00 -0.57 0.00 0.00 34.95 31.69 1m94 s ARG 15 CO -0.01 0.62 0.38 0.54 -1.08 0.00 0.00 175.30 175.75 1m94 s VAL 16 N -1.09 -0.01 -0.24 4.99 0.11 -0.44 -4.98 120.40 118.74 1m94 s VAL 16 Ca 0.20 0.02 -0.12 0.00 -2.93 0.00 0.00 61.98 59.15 1m94 s VAL 16 Cb -0.11 -0.54 -0.05 0.00 -1.53 0.00 0.00 36.38 34.15 1m94 s VAL 16 CO 0.10 0.01 0.22 -0.75 -3.33 0.00 0.00 175.10 171.35 1m94 s LYS 17 N 0.41 4.07 0.21 1.54 2.20 -1.26 -1.22 119.74 125.70 1m94 s LYS 17 Ca -0.02 -0.17 -0.13 0.00 -0.36 0.00 0.00 55.97 55.30 1m94 s LYS 17 Cb -0.04 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1m94 s LYS 17 CO -0.02 -0.00 0.42 0.00 -0.36 0.00 0.00 175.35 175.39 1m94 s LEU 19 N -2.97 4.52 0.49 0.00 1.43 -1.26 -0.36 118.68 120.52 1m94 s LEU 19 Ca 0.18 1.31 0.33 0.00 -1.03 0.00 0.00 54.13 54.92 1m94 s LEU 19 Cb 0.01 -3.01 1.54 0.00 0.03 0.00 0.00 46.19 44.76 1m94 s LEU 19 CO 0.04 0.24 1.98 0.00 0.23 0.00 0.00 176.35 178.84 1m94 h ALA 20 N 4.39 1.00 0.00 4.21 0.00 -1.95 -1.85 119.26 125.06 1m94 h ALA 20 Ca -0.49 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1m94 h ALA 20 Cb 1.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1m94 h ALA 20 CO 0.64 0.00 -0.30 1.05 0.00 0.00 0.00 179.25 180.64 1m94 h GLU 21 N 0.00 0.00 -7.25 0.00 -0.00 -1.92 0.17 114.58 105.58 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 0.27 0.00 0.14 0.00 -0.00 0.00 0.00 28.75 29.16 1m94 h GLU 21 CO 0.00 0.25 0.33 -0.51 -0.00 0.00 0.00 179.01 179.08 1m94 s ASP 22 N -6.30 4.33 0.67 3.06 1.01 -0.70 -4.59 116.67 114.15 1m94 s ASP 22 Ca 0.05 2.03 -0.03 0.00 0.71 0.00 0.00 52.55 55.31 1m94 s ASP 22 Cb 0.06 -2.55 0.08 0.00 1.01 0.00 0.00 42.92 41.52 1m94 s ASP 22 CO 0.71 -2.15 0.95 -0.44 0.21 0.00 0.00 175.17 174.44 1m94 s SER 23 N -2.80 4.76 0.48 0.27 0.01 -1.26 -0.86 113.70 114.30 1m94 s SER 23 Ca 0.66 0.09 0.14 0.00 1.31 0.00 0.00 55.95 58.15 1m94 s SER 23 Cb -0.21 -0.72 1.14 0.00 0.21 0.00 0.00 66.02 66.43 1m94 s SER 23 CO 0.50 -1.57 2.10 0.58 0.41 0.00 0.00 173.24 175.26 1m94 h VAL 24 N -0.42 1.05 0.34 3.43 2.07 -1.61 -1.69 116.25 119.42 1m94 h VAL 24 Ca -0.42 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1m94 h VAL 24 Cb 1.29 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1m94 h VAL 24 CO 0.51 0.06 -0.16 1.23 0.02 0.00 0.00 177.57 179.23 1m94 h GLY 25 N 0.21 -0.47 1.31 2.17 0.00 -1.80 0.42 103.07 104.91 1m94 h GLY 25 Ca 0.02 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 1m94 h GLY 25 CO 0.00 -0.17 0.33 -1.80 0.00 0.00 0.00 176.54 174.90 1m94 h ASP 26 N -0.46 0.81 -0.40 0.19 3.58 -1.81 -0.38 116.42 117.95 1m94 h ASP 26 Ca -0.05 -0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.33 1m94 h ASP 26 Cb 0.35 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 1m94 h ASP 26 CO 0.08 0.67 0.25 0.15 -2.88 0.00 0.00 179.24 177.50 1m94 h PHE 27 N 0.90 0.52 -0.06 0.28 3.57 -0.81 -1.35 116.94 119.98 1m94 h PHE 27 Ca 0.23 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.62 1m94 h PHE 27 Cb 0.06 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1m94 h PHE 27 CO 0.01 0.36 -0.48 0.87 -2.23 0.00 0.00 178.31 176.84 1m94 h LYS 28 N 0.53 0.16 -0.42 1.11 1.57 -0.43 -2.43 116.57 116.65 1m94 h LYS 28 Ca 0.14 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1m94 h LYS 28 Cb -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1m94 h LYS 28 CO -0.03 0.60 0.10 0.87 -0.57 0.00 0.00 179.45 180.43 1m94 h LYS 29 N 0.13 0.67 -0.19 3.15 1.57 -0.46 0.13 116.57 121.57 1m94 h LYS 29 Ca 0.01 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.51 1m94 h LYS 29 Cb 0.89 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1m94 h LYS 29 CO 0.07 0.69 -0.37 0.28 -0.57 0.00 0.00 179.45 179.54 1m94 h VAL 30 N 0.54 1.30 0.02 0.50 2.07 -1.18 -3.09 116.25 116.41 1m94 h VAL 30 Ca 0.13 -1.48 -0.00 0.00 0.82 0.00 0.00 66.70 66.17 1m94 h VAL 30 Cb 0.31 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1m94 h VAL 30 CO 0.00 0.46 -0.01 -0.07 0.02 0.00 0.00 177.57 177.96 1m94 h LEU 31 N 0.34 -0.03 -1.95 2.57 3.38 -1.13 -3.09 115.31 115.40 1m94 h LEU 31 Ca 0.04 -0.52 0.05 0.00 0.09 0.00 0.00 57.88 57.54 1m94 h LEU 31 Cb 0.81 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1m94 h LEU 31 CO 0.07 0.52 0.40 0.77 0.09 0.00 0.00 178.44 180.28 1m94 h SER 32 N -0.58 0.00 -0.06 -0.43 4.64 -0.74 -0.85 113.55 115.52 1m94 h SER 32 Ca -0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 1m94 h SER 32 Cb 0.55 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1m94 h SER 32 CO 0.01 0.00 -0.69 -0.07 -0.87 0.00 0.00 176.83 175.21 1m94 h LEU 33 N 0.00 0.71 0.23 5.97 3.38 -1.45 0.70 115.31 124.84 1m94 h LEU 33 Ca 0.09 -0.69 -0.34 0.00 0.09 0.00 0.00 57.88 57.02 1m94 h LEU 33 Cb 0.88 -0.21 0.03 0.00 0.09 0.00 0.00 40.66 41.45 1m94 h LEU 33 CO -0.00 1.30 -1.60 0.06 0.09 0.00 0.00 178.44 178.29 1m94 h GLN 34 N 0.18 0.49 0.00 1.13 3.07 -1.26 -3.35 115.11 115.36 1m94 h GLN 34 Ca -0.07 -0.83 -0.11 0.00 0.09 0.00 0.00 58.65 57.73 1m94 h GLN 34 Cb 1.35 0.31 -0.02 0.00 0.08 0.00 0.00 27.48 29.20 1m94 h GLN 34 CO 0.14 1.40 -1.05 -0.84 0.09 0.00 0.00 178.83 178.56 1m94 h ILE 35 N 0.13 0.44 -3.44 1.86 3.07 -1.39 -3.48 117.51 114.69 1m94 h ILE 35 Ca -0.29 -1.76 -0.20 0.00 1.55 0.00 0.00 64.86 64.15 1m94 h ILE 35 Cb 2.15 1.99 0.07 0.00 -0.27 0.00 0.00 36.82 40.76 1m94 h ILE 35 CO 0.24 0.25 -0.34 0.61 -1.05 0.00 0.00 178.15 177.85 1m94 n GLY 36 N 1.30 0.20 0.24 0.16 0.00 0.24 -4.93 105.19 102.39 1m94 n GLY 36 Ca -0.04 -0.21 0.06 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.77 0.00 -1.02 2.61 -1.04 -1.22 -5.05 114.28 104.80 1m94 n THR 37 Ca 0.00 -0.35 0.05 0.00 -2.04 0.00 0.00 64.05 61.71 1m94 n THR 37 Cb 0.53 1.12 -0.03 0.00 -1.82 0.00 0.00 70.33 70.13 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 -0.35 -2.54 0.23 -2.82 1.13 -1.26 -3.56 117.38 108.22 1m94 n GLN 38 Ca 0.05 2.02 0.15 0.00 -1.94 0.00 0.00 57.00 57.27 1m94 n GLN 38 Cb 0.24 -2.67 0.51 0.00 0.11 0.00 0.00 30.24 28.44 1m94 n GLN 38 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1m94 h PRO 39 N -0.37 0.00 0.00 -1.09 0.13 -1.94 -2.86 132.00 125.87 1m94 h PRO 39 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1m94 h PRO 39 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1m94 h PRO 39 CO 0.02 0.00 -0.39 -0.91 -0.23 0.00 0.00 178.00 176.49 1m94 h ASN 40 N 0.00 0.00 -0.28 1.44 2.35 -1.96 -3.29 115.58 113.83 1m94 h ASN 40 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1m94 h ASN 40 Cb 0.64 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1m94 h ASN 40 CO 0.00 0.01 0.00 1.17 -1.65 0.00 0.00 177.43 176.96 1m94 n LYS 41 N -2.84 2.14 -4.00 0.81 4.81 -1.12 -4.86 118.16 113.10 1m94 n LYS 41 Ca 0.03 -1.88 -0.35 0.00 -0.87 0.00 0.00 58.31 55.24 1m94 n LYS 41 Cb 0.53 -1.31 -0.10 0.00 0.02 0.00 0.00 35.03 34.16 1m94 n LYS 41 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1m94 s ILE 42 N -1.06 4.68 -0.26 3.15 1.01 -1.10 -1.37 121.20 126.26 1m94 s ILE 42 Ca 0.24 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.86 1m94 s ILE 42 Cb 0.14 -3.12 0.06 0.00 0.01 0.00 0.00 42.46 39.55 1m94 s ILE 42 CO 0.19 0.44 -0.11 -0.69 0.00 0.00 0.00 174.94 174.77 1m94 s VAL 43 N 0.55 2.18 -0.13 2.92 1.01 0.33 -4.93 120.40 122.32 1m94 s VAL 43 Ca 0.03 -1.64 -0.09 0.00 0.00 0.00 0.00 61.98 60.29 1m94 s VAL 43 Cb -0.13 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1m94 s VAL 43 CO 0.01 -0.03 0.17 -0.76 0.00 0.00 0.00 175.10 174.49 1m94 s LEU 44 N 1.10 4.34 0.05 3.92 1.02 -1.26 -0.54 118.68 127.31 1m94 s LEU 44 Ca -0.09 0.45 0.05 0.00 0.02 0.00 0.00 54.13 54.55 1m94 s LEU 44 Cb -0.20 -2.13 -0.02 0.00 0.02 0.00 0.00 46.19 43.86 1m94 s LEU 44 CO -0.05 0.33 -0.13 -1.10 0.02 0.00 0.00 176.35 175.41 1m94 s GLN 45 N -0.60 0.83 -0.26 1.70 -0.21 -0.63 -1.37 119.66 119.13 1m94 s GLN 45 Ca 0.14 -0.83 -0.01 0.00 0.02 0.00 0.00 55.36 54.68 1m94 s GLN 45 Cb -0.12 -0.82 0.08 0.00 1.00 0.00 0.00 33.01 33.15 1m94 s GLN 45 CO 0.03 0.19 0.04 0.21 -2.12 0.00 0.00 175.29 173.64 1m94 s LYS 46 N -1.41 0.96 -1.05 2.91 2.20 0.15 -0.75 119.74 122.74 1m94 s LYS 46 Ca -0.01 -0.90 -0.03 0.00 -0.36 0.00 0.00 55.97 54.67 1m94 s LYS 46 Cb -0.09 -2.24 0.00 0.00 -1.51 0.00 0.00 37.83 34.00 1m94 s LYS 46 CO 0.02 -0.79 0.90 0.41 -0.36 0.00 0.00 175.35 175.52 1m94 n GLY 47 N 4.83 -0.26 2.70 5.54 0.00 -1.26 -3.00 105.19 113.75 1m94 n GLY 47 Ca -0.06 0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.36 -0.02 2.99 -0.02 0.00 -1.26 -5.03 105.19 100.49 1m94 n GLY 48 Ca -0.14 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 1m94 n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1m94 s SER 49 N -3.46 -0.14 0.00 1.61 0.01 -1.16 -5.13 113.70 105.42 1m94 s SER 49 Ca 0.22 0.31 -0.30 0.00 1.31 0.00 0.00 55.95 57.49 1m94 s SER 49 Cb -0.10 0.27 -0.03 0.00 0.21 0.00 0.00 66.02 66.37 1m94 s SER 49 CO 0.46 -0.09 1.00 0.54 0.41 0.00 0.00 173.24 175.56 1m94 s VAL 50 N 0.49 4.81 -0.07 3.43 0.11 -1.26 -0.67 120.40 127.24 1m94 s VAL 50 Ca -0.03 2.02 -0.18 0.00 -2.93 0.00 0.00 61.98 60.85 1m94 s VAL 50 Cb -0.05 -4.29 -0.05 0.00 -1.53 0.00 0.00 36.38 30.46 1m94 s VAL 50 CO -0.02 0.15 0.50 -0.76 -3.33 0.00 0.00 175.10 171.64 1m94 s LEU 51 N 1.05 4.35 0.12 2.54 1.43 -0.47 -4.93 118.68 122.77 1m94 s LEU 51 Ca 0.52 0.93 0.09 0.00 -1.03 0.00 0.00 54.13 54.65 1m94 s LEU 51 Cb -0.21 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 1m94 s LEU 51 CO 0.28 0.09 -0.17 -0.54 0.23 0.00 0.00 176.35 176.23 1m94 s LYS 52 N 0.10 1.82 0.56 1.70 1.02 -1.26 -4.71 119.74 118.98 1m94 s LYS 52 Ca 0.27 -1.16 0.26 0.00 0.02 0.00 0.00 55.97 55.36 1m94 s LYS 52 Cb -0.16 -2.14 1.63 0.00 -0.52 0.00 0.00 37.83 36.64 1m94 s LYS 52 CO 0.13 0.48 2.19 0.38 -0.92 0.00 0.00 175.35 177.61 1m94 h ASP 53 N 3.71 0.00 0.57 2.83 2.03 -1.95 -1.71 116.42 121.91 1m94 h ASP 53 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 1m94 h ASP 53 Cb 1.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 1m94 h ASP 53 CO 0.47 0.03 0.00 1.41 -1.03 0.00 0.00 179.24 180.12 1m94 n HIS 54 N -3.94 0.53 -4.44 4.15 8.25 -1.26 -4.12 115.22 114.39 1m94 n HIS 54 Ca -0.03 0.22 -0.33 0.00 -0.26 0.00 0.00 57.72 57.32 1m94 n HIS 54 Cb 0.12 -0.85 -0.10 0.00 1.12 0.00 0.00 29.99 30.28 1m94 n HIS 54 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1m94 s ILE 55 N -3.23 3.89 0.51 1.59 1.09 -0.64 -5.03 121.20 119.38 1m94 s ILE 55 Ca 0.04 -0.58 -0.18 0.00 -1.10 0.00 0.00 60.65 58.84 1m94 s ILE 55 Cb 0.09 -2.67 -0.08 0.00 -1.06 0.00 0.00 42.46 38.74 1m94 s ILE 55 CO 0.32 0.47 1.01 -0.94 -0.10 0.00 0.00 174.94 175.70 1m94 s SER 56 N -1.22 6.43 0.34 3.58 1.04 -1.26 -2.31 113.70 120.30 1m94 s SER 56 Ca 0.16 1.73 0.03 0.00 0.48 0.00 0.00 55.95 58.35 1m94 s SER 56 Cb -0.11 -2.53 0.62 0.00 0.10 0.00 0.00 66.02 64.10 1m94 s SER 56 CO 0.06 -0.72 1.96 -0.07 0.98 0.00 0.00 173.24 175.44 1m94 h LEU 57 N 1.15 0.64 -1.46 2.42 3.38 -1.10 -1.63 115.31 118.71 1m94 h LEU 57 Ca -0.48 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 1m94 h LEU 57 Cb 1.20 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1m94 h LEU 57 CO 0.60 0.55 0.18 -0.08 0.09 0.00 0.00 178.44 179.78 1m94 h GLU 58 N 0.72 0.55 -0.49 1.13 4.57 -1.17 -1.32 114.58 118.56 1m94 h GLU 58 Ca 0.18 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1m94 h GLU 58 Cb 0.08 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1m94 h GLU 58 CO -0.02 0.43 0.08 0.22 -1.18 0.00 0.00 179.01 178.54 1m94 h ASP 59 N 0.55 0.78 1.03 1.04 3.58 -1.60 -2.20 116.42 119.61 1m94 h ASP 59 Ca 0.14 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.33 1m94 h ASP 59 Cb 0.07 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.91 1m94 h ASP 59 CO -0.02 0.84 0.00 1.88 -2.88 0.00 0.00 179.24 179.07 1m94 h TYR 60 N 0.69 0.00 -2.42 0.28 0.05 -1.27 -3.47 116.97 110.83 1m94 h TYR 60 Ca 0.15 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.93 1m94 h TYR 60 Cb 0.40 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.14 1m94 h TYR 60 CO 0.03 0.00 0.00 -1.91 -1.05 0.00 0.00 178.16 175.23 1m94 n GLU 61 N -2.41 0.00 -3.66 4.88 0.00 -0.56 -5.05 120.64 113.84 1m94 n GLU 61 Ca 0.03 0.14 -0.39 0.00 0.00 0.00 0.00 57.16 56.94 1m94 n GLU 61 Cb 0.31 -1.21 -0.11 0.00 0.00 0.00 0.00 31.44 30.43 1m94 n GLU 61 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1m94 s VAL 62 N -2.81 3.92 0.30 6.31 1.01 -0.90 -5.02 120.40 123.21 1m94 s VAL 62 Ca 0.00 -1.55 0.02 0.00 0.00 0.00 0.00 61.98 60.46 1m94 s VAL 62 Cb 0.00 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.95 1m94 s VAL 62 CO 0.00 -0.52 0.18 1.41 0.00 0.00 0.00 175.10 176.17 1m94 n HIS 63 N 4.83 -0.66 -2.02 5.22 8.25 -1.26 -4.65 115.22 124.93 1m94 n HIS 63 Ca -0.09 -1.30 -0.41 0.00 -0.26 0.00 0.00 57.72 55.67 1m94 n HIS 63 Cb 0.43 -0.23 -0.02 0.00 1.12 0.00 0.00 29.99 31.28 1m94 n HIS 63 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1m94 s ASP 64 N -2.72 6.65 -1.46 0.41 -1.08 -1.26 -2.63 116.67 114.59 1m94 s ASP 64 Ca 0.13 2.73 -0.06 0.00 -0.52 0.00 0.00 52.55 54.83 1m94 s ASP 64 Cb -0.01 -2.64 0.01 0.00 -1.46 0.00 0.00 42.92 38.82 1m94 s ASP 64 CO 0.09 -0.67 0.76 0.00 0.52 0.00 0.00 175.17 175.87 1m94 n GLN 65 N 1.56 -5.66 -3.50 4.34 3.00 0.84 -4.90 117.38 113.05 1m94 n GLN 65 Ca 0.04 0.86 -0.32 0.00 -0.01 0.00 0.00 57.00 57.57 1m94 n GLN 65 Cb 0.41 -5.72 -0.05 0.00 0.00 0.00 0.00 30.24 24.88 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 -3.21 5.01 -0.09 5.09 -1.32 -1.08 -4.95 115.64 115.09 1m94 s THR 66 Ca 0.38 0.33 -0.09 0.00 -1.21 0.00 0.00 61.69 61.10 1m94 s THR 66 Cb -0.17 -3.62 -0.04 0.00 -1.51 0.00 0.00 72.50 67.16 1m94 s THR 66 CO 0.47 -0.03 0.20 0.21 -2.21 0.00 0.00 174.62 173.25 1m94 s ASN 67 N -2.38 6.48 0.30 8.08 3.84 -1.26 -2.42 114.94 127.57 1m94 s ASN 67 Ca 0.45 0.58 0.04 0.00 0.21 0.00 0.00 52.86 54.14 1m94 s ASN 67 Cb -0.12 -2.11 -0.03 0.00 -0.55 0.00 0.00 41.25 38.44 1m94 s ASN 67 CO 0.22 0.39 0.22 -0.76 -2.79 0.00 0.00 177.10 174.38 1m94 s LEU 68 N -1.06 1.60 0.06 3.21 1.43 0.24 -4.95 118.68 119.22 1m94 s LEU 68 Ca 0.17 -1.63 0.06 0.00 -1.03 0.00 0.00 54.13 51.70 1m94 s LEU 68 Cb -0.13 0.42 -0.04 0.00 0.03 0.00 0.00 46.19 46.48 1m94 s LEU 68 CO 0.06 -0.97 -0.11 -1.61 0.23 0.00 0.00 176.35 173.94 1m94 s GLU 69 N -3.69 2.22 -0.03 1.70 8.01 0.07 -1.42 118.70 125.55 1m94 s GLU 69 Ca 0.39 -0.94 0.01 0.00 0.01 0.00 0.00 54.97 54.44 1m94 s GLU 69 Cb 0.04 -2.32 0.02 0.00 -4.31 0.00 0.00 34.13 27.56 1m94 s GLU 69 CO 0.22 0.54 -0.03 -1.17 0.01 0.00 0.00 175.26 174.82 1m94 s LEU 70 N -1.80 1.39 0.02 1.80 2.96 -0.90 -1.60 118.68 120.54 1m94 s LEU 70 Ca 0.18 -0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 1m94 s LEU 70 Cb -0.11 -0.36 -0.01 0.00 0.50 0.00 0.00 46.19 46.21 1m94 s LEU 70 CO 0.10 -0.05 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.72 1m94 s TYR 71 N 0.79 0.44 -0.22 5.38 2.02 0.30 -3.86 117.35 122.18 1m94 s TYR 71 Ca -0.10 -0.30 -0.12 0.00 -0.37 0.00 0.00 57.07 56.18 1m94 s TYR 71 Cb -0.13 -0.28 -0.05 0.00 -0.40 0.00 0.00 41.96 41.11 1m94 s TYR 71 CO -0.00 -0.07 0.24 0.71 -1.57 0.00 0.00 175.55 174.86 1m94 s TYR 72 N -0.79 3.34 0.00 2.71 2.02 -1.26 -0.51 117.35 122.86 1m94 s TYR 72 Ca -0.06 0.37 0.00 0.00 -0.37 0.00 0.00 57.07 57.01 1m94 s TYR 72 Cb -0.06 -2.35 0.00 0.00 -0.40 0.00 0.00 41.96 39.15 1m94 s TYR 72 CO -0.00 0.06 0.00 -0.11 -1.57 0.00 0.00 175.55 173.93