#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 1.50 -0.14 1.12 -4.36 0.54 -4.94 121.20 114.93 1m94 s ILE 2 Ca 0.00 -2.14 -0.06 0.00 -0.26 0.00 0.00 60.65 58.19 1m94 s ILE 2 Cb 0.00 -2.13 -0.04 0.00 1.25 0.00 0.00 42.46 41.54 1m94 s ILE 2 CO 0.00 -0.53 0.08 -0.70 0.24 0.00 0.00 174.94 174.04 1m94 s GLU 3 N -3.71 3.55 0.18 0.37 -6.30 -1.26 -1.40 118.70 110.12 1m94 s GLU 3 Ca 0.24 -0.27 0.09 0.00 -2.50 0.00 0.00 54.97 52.53 1m94 s GLU 3 Cb 0.02 -3.12 -0.04 0.00 0.00 0.00 0.00 34.13 30.98 1m94 s GLU 3 CO 0.07 0.57 -0.19 0.08 0.02 0.00 0.00 175.26 175.81 1m94 s VAL 4 N -0.47 1.94 -0.18 3.70 1.01 0.21 0.59 120.40 127.21 1m94 s VAL 4 Ca 0.11 -2.00 -0.02 0.00 0.00 0.00 0.00 61.98 60.07 1m94 s VAL 4 Cb -0.12 -1.94 0.05 0.00 0.00 0.00 0.00 36.38 34.38 1m94 s VAL 4 CO 0.02 -0.32 0.00 -0.69 0.00 0.00 0.00 175.10 174.11 1m94 s VAL 5 N -2.11 0.73 -0.14 2.92 1.01 -0.90 -1.67 120.40 120.24 1m94 s VAL 5 Ca 0.18 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 1m94 s VAL 5 Cb -0.06 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1m94 s VAL 5 CO 0.08 -0.06 0.16 0.68 0.00 0.00 0.00 175.10 175.95 1m94 s VAL 6 N 1.78 5.45 -0.21 2.92 -7.23 -0.30 -0.48 120.40 122.33 1m94 s VAL 6 Ca -0.00 0.25 -0.07 0.00 -1.81 0.00 0.00 61.98 60.35 1m94 s VAL 6 Cb -0.16 -3.44 -0.04 0.00 0.56 0.00 0.00 36.38 33.30 1m94 s VAL 6 CO -0.07 0.56 0.07 0.20 -0.31 0.00 0.00 175.10 175.55 1m94 s ASN 7 N -0.62 5.41 -0.03 4.85 -0.87 0.03 -0.86 114.94 122.85 1m94 s ASN 7 Ca 0.14 -0.05 -0.11 0.00 -1.57 0.00 0.00 52.86 51.26 1m94 s ASN 7 Cb -0.12 -1.95 -0.06 0.00 -0.02 0.00 0.00 41.25 39.10 1m94 s ASN 7 CO 0.03 0.07 0.53 0.44 -2.57 0.00 0.00 177.10 175.61 1m94 h ASP 8 N 7.44 -0.35 0.00 -1.22 5.19 -1.39 0.52 116.42 126.60 1m94 h ASP 8 Ca -0.37 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.06 1m94 h ASP 8 Cb 1.17 0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.77 1m94 h ASP 8 CO 0.63 0.01 0.00 0.54 -3.12 0.00 0.00 179.24 177.31 1m94 n ARG 9 N -4.57 0.00 -3.16 3.56 3.00 -1.26 -4.59 116.66 109.65 1m94 n ARG 9 Ca -0.05 0.00 0.03 0.00 -0.01 0.00 0.00 57.85 57.82 1m94 n ARG 9 Cb 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 32.46 32.60 1m94 n ARG 9 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1m94 s LEU 10 N -5.67 -1.35 0.00 0.55 0.20 -1.26 -4.95 118.68 106.20 1m94 s LEU 10 Ca 0.00 0.84 0.00 0.00 0.69 0.00 0.00 54.13 55.66 1m94 s LEU 10 Cb 0.00 2.11 0.00 0.00 -0.43 0.00 0.00 46.19 47.87 1m94 s LEU 10 CO 0.00 -0.26 0.00 0.61 -0.29 0.00 0.00 176.35 176.41 1m94 n GLY 11 N 5.43 2.71 3.68 7.98 0.00 -1.26 -5.00 105.19 118.72 1m94 n GLY 11 Ca -0.01 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 4.32 0.03 1.61 2.20 -1.26 -5.01 119.74 121.63 1m94 s LYS 12 Ca 0.00 1.67 -0.10 0.00 -0.36 0.00 0.00 55.97 57.19 1m94 s LYS 12 Cb 0.00 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 1m94 s LYS 12 CO 0.00 -0.52 0.20 -1.59 -0.36 0.00 0.00 175.35 173.08 1m94 s LYS 13 N 2.55 0.68 0.07 4.03 -2.85 -1.26 -1.48 119.74 121.47 1m94 s LYS 13 Ca 0.56 -0.59 0.09 0.00 -1.00 0.00 0.00 55.97 55.03 1m94 s LYS 13 Cb -0.24 0.28 -0.03 0.00 -2.06 0.00 0.00 37.83 35.78 1m94 s LYS 13 CO 0.20 -0.19 -0.25 0.08 0.10 0.00 0.00 175.35 175.29 1m94 s VAL 14 N -2.42 2.05 -0.10 1.79 1.01 -0.04 -4.95 120.40 117.73 1m94 s VAL 14 Ca -0.06 -1.44 -0.04 0.00 0.00 0.00 0.00 61.98 60.44 1m94 s VAL 14 Cb -0.02 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1m94 s VAL 14 CO -0.03 0.26 0.05 0.00 0.00 0.00 0.00 175.10 175.37 1m94 s ARG 15 N -1.43 3.20 -0.13 2.72 1.04 -1.26 -1.14 118.95 121.95 1m94 s ARG 15 Ca 0.11 -0.32 -0.08 0.00 -1.04 0.00 0.00 55.73 54.40 1m94 s ARG 15 Cb -0.10 -2.94 0.05 0.00 -2.04 0.00 0.00 34.95 29.91 1m94 s ARG 15 CO 0.03 0.69 0.31 0.54 -0.04 0.00 0.00 175.30 176.82 1m94 s VAL 16 N -0.82 -0.03 -0.12 4.99 0.11 -0.67 -4.99 120.40 118.88 1m94 s VAL 16 Ca 0.13 0.10 -0.04 0.00 -2.93 0.00 0.00 61.98 59.23 1m94 s VAL 16 Cb -0.12 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 1m94 s VAL 16 CO 0.03 0.04 0.04 -1.59 -3.33 0.00 0.00 175.10 170.29 1m94 s LYS 17 N 1.06 3.35 0.30 1.54 -2.85 -1.26 -0.62 119.74 121.26 1m94 s LYS 17 Ca -0.07 -0.35 -0.18 0.00 -1.00 0.00 0.00 55.97 54.37 1m94 s LYS 17 Cb -0.08 -2.98 0.03 0.00 -2.06 0.00 0.00 37.83 32.74 1m94 s LYS 17 CO -0.08 0.59 0.71 0.00 0.10 0.00 0.00 175.35 176.66 1m94 s LEU 19 N -2.97 4.35 0.58 0.00 1.43 -1.26 -0.34 118.68 120.46 1m94 s LEU 19 Ca 0.14 1.06 0.35 0.00 -1.03 0.00 0.00 54.13 54.65 1m94 s LEU 19 Cb -0.05 -3.23 1.75 0.00 0.03 0.00 0.00 46.19 44.69 1m94 s LEU 19 CO 0.09 0.12 2.15 0.00 0.23 0.00 0.00 176.35 178.93 1m94 h ALA 20 N 3.61 1.12 0.00 4.21 0.00 -1.95 -1.52 119.26 124.73 1m94 h ALA 20 Ca -0.49 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 1m94 h ALA 20 Cb 1.19 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1m94 h ALA 20 CO 0.66 0.06 -0.39 1.05 0.00 0.00 0.00 179.25 180.62 1m94 h GLU 21 N 0.00 0.00 -7.20 0.00 -0.00 -1.95 0.12 114.58 105.56 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 0.01 0.39 0.37 -0.51 -0.00 0.00 0.00 179.01 179.27 1m94 s ASP 22 N -6.38 4.43 0.73 3.06 1.01 -0.57 -4.60 116.67 114.34 1m94 s ASP 22 Ca 0.04 2.19 -0.05 0.00 0.71 0.00 0.00 52.55 55.44 1m94 s ASP 22 Cb 0.08 -2.57 0.11 0.00 1.01 0.00 0.00 42.92 41.55 1m94 s ASP 22 CO 0.72 -2.09 1.02 -0.94 0.21 0.00 0.00 175.17 174.08 1m94 s SER 23 N -2.34 4.41 0.48 0.27 1.04 -1.26 -0.81 113.70 115.48 1m94 s SER 23 Ca 0.70 0.02 0.17 0.00 0.48 0.00 0.00 55.95 57.33 1m94 s SER 23 Cb -0.25 -0.49 1.16 0.00 0.10 0.00 0.00 66.02 66.53 1m94 s SER 23 CO 0.45 -1.83 2.04 0.58 0.98 0.00 0.00 173.24 175.47 1m94 h VAL 24 N -0.64 1.00 -0.45 5.02 2.07 -1.59 -2.23 116.25 119.43 1m94 h VAL 24 Ca -0.41 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 66.65 1m94 h VAL 24 Cb 1.28 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 1m94 h VAL 24 CO 0.47 0.13 0.28 1.23 0.02 0.00 0.00 177.57 179.70 1m94 h GLY 25 N 0.47 0.63 1.24 2.17 0.00 -1.81 0.81 103.07 106.59 1m94 h GLY 25 Ca -0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 1m94 h GLY 25 CO 0.02 0.20 0.04 -1.80 0.00 0.00 0.00 176.54 174.99 1m94 h ASP 26 N 0.57 0.88 -0.48 0.19 3.58 -1.77 -1.15 116.42 118.24 1m94 h ASP 26 Ca 0.17 -0.22 -0.00 0.00 0.42 0.00 0.00 57.03 57.41 1m94 h ASP 26 Cb -0.02 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.77 1m94 h ASP 26 CO -0.06 0.92 0.29 0.15 -2.88 0.00 0.00 179.24 177.66 1m94 h PHE 27 N 0.86 0.63 -0.15 0.28 3.04 -0.92 -1.41 116.94 119.27 1m94 h PHE 27 Ca 0.17 -0.00 -0.10 0.00 3.98 0.00 0.00 57.97 62.02 1m94 h PHE 27 Cb 0.45 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.75 1m94 h PHE 27 CO 0.03 0.43 -0.34 0.87 -2.02 0.00 0.00 178.31 177.29 1m94 h LYS 28 N 0.64 0.30 -0.19 1.11 1.57 -0.56 -0.99 116.57 118.45 1m94 h LYS 28 Ca 0.17 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1m94 h LYS 28 Cb -0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1m94 h LYS 28 CO -0.03 0.61 -0.06 0.87 -0.57 0.00 0.00 179.45 180.26 1m94 h LYS 29 N 0.26 0.38 -0.24 3.15 1.57 -0.66 0.13 116.57 121.16 1m94 h LYS 29 Ca 0.03 -0.15 -0.18 0.00 -1.87 0.00 0.00 60.65 58.48 1m94 h LYS 29 Cb 0.72 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 1m94 h LYS 29 CO 0.06 0.65 -0.58 0.28 -0.57 0.00 0.00 179.45 179.29 1m94 h VAL 30 N 0.09 1.29 -0.04 0.50 2.07 -1.22 -2.93 116.25 116.00 1m94 h VAL 30 Ca 0.05 -1.79 -0.01 0.00 0.82 0.00 0.00 66.70 65.77 1m94 h VAL 30 Cb 0.52 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1m94 h VAL 30 CO 0.02 0.57 -0.02 0.25 0.02 0.00 0.00 177.57 178.41 1m94 h LEU 31 N 0.58 0.09 -2.18 2.57 5.85 -1.17 -3.03 115.31 118.02 1m94 h LEU 31 Ca 0.00 -0.42 0.06 0.00 0.84 0.00 0.00 57.88 58.36 1m94 h LEU 31 Cb 1.17 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1m94 h LEU 31 CO 0.12 0.49 0.19 0.77 -0.34 0.00 0.00 178.44 179.67 1m94 h SER 32 N -0.31 0.00 -0.17 1.25 4.64 -0.79 -1.19 113.55 116.99 1m94 h SER 32 Ca 0.01 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.24 1m94 h SER 32 Cb 0.46 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1m94 h SER 32 CO 0.01 0.00 -0.18 -0.07 -0.87 0.00 0.00 176.83 175.72 1m94 h LEU 33 N 0.00 0.57 0.03 5.97 3.38 -1.39 0.38 115.31 124.26 1m94 h LEU 33 Ca 0.09 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1m94 h LEU 33 Cb 0.47 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1m94 h LEU 33 CO -0.00 0.76 -0.52 1.56 0.09 0.00 0.00 178.44 180.34 1m94 h GLN 34 N 0.52 0.07 0.00 1.13 4.20 -1.30 -3.35 115.11 116.39 1m94 h GLN 34 Ca 0.09 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 1m94 h GLN 34 Cb 0.60 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 1m94 h GLN 34 CO 0.04 1.05 -0.31 -0.84 -0.67 0.00 0.00 178.83 178.10 1m94 h ILE 35 N -0.84 0.66 -3.49 2.54 3.07 -1.47 -3.47 117.51 114.50 1m94 h ILE 35 Ca -0.12 -1.47 -0.21 0.00 1.55 0.00 0.00 64.86 64.61 1m94 h ILE 35 Cb 1.23 1.98 0.07 0.00 -0.27 0.00 0.00 36.82 39.83 1m94 h ILE 35 CO -0.02 0.31 -0.35 0.61 -1.05 0.00 0.00 178.15 177.65 1m94 n GLY 36 N 0.51 0.18 0.20 0.16 0.00 0.13 -4.93 105.19 101.45 1m94 n GLY 36 Ca 0.01 -0.20 0.02 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.80 0.48 -1.13 2.61 -1.04 -1.17 -5.06 114.28 105.18 1m94 n THR 37 Ca 0.00 -0.74 0.06 0.00 -2.04 0.00 0.00 64.05 61.34 1m94 n THR 37 Cb 0.53 0.80 -0.04 0.00 -1.82 0.00 0.00 70.33 69.81 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 0.07 -2.81 0.14 -2.82 6.02 -1.26 -3.61 117.38 113.10 1m94 n GLN 38 Ca 0.03 2.24 0.13 0.00 -0.01 0.00 0.00 57.00 59.39 1m94 n GLN 38 Cb 0.21 -2.97 0.43 0.00 1.02 0.00 0.00 30.24 28.92 1m94 n GLN 38 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1m94 h PRO 39 N -0.46 0.00 -0.01 -1.09 0.13 -1.92 -3.12 132.00 125.53 1m94 h PRO 39 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1m94 h PRO 39 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1m94 h PRO 39 CO 0.03 0.00 -0.47 0.09 -0.23 0.00 0.00 178.00 177.42 1m94 n ASN 40 N -2.42 1.45 -0.63 1.44 3.02 -1.26 -4.17 115.26 112.69 1m94 n ASN 40 Ca 0.04 -1.15 0.06 0.00 -0.03 0.00 0.00 54.58 53.50 1m94 n ASN 40 Cb 0.37 0.41 0.20 0.00 -0.61 0.00 0.00 39.78 40.14 1m94 n ASN 40 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1m94 n LYS 41 N -0.52 1.89 -4.34 3.52 4.81 -1.18 -4.93 118.16 117.41 1m94 n LYS 41 Ca 0.09 -2.92 -0.23 0.00 -0.87 0.00 0.00 58.31 54.38 1m94 n LYS 41 Cb 0.40 -1.69 -0.17 0.00 0.02 0.00 0.00 35.03 33.60 1m94 n LYS 41 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1m94 s ILE 42 N -3.02 0.89 -0.31 3.15 -4.36 -1.25 -2.92 121.20 113.38 1m94 s ILE 42 Ca 0.39 -0.31 -0.08 0.00 -0.26 0.00 0.00 60.65 60.39 1m94 s ILE 42 Cb 0.34 -0.85 0.01 0.00 1.25 0.00 0.00 42.46 43.21 1m94 s ILE 42 CO 0.02 0.31 0.11 -0.69 0.24 0.00 0.00 174.94 174.92 1m94 s VAL 43 N 0.90 4.09 -0.01 8.37 1.01 0.49 -4.92 120.40 130.32 1m94 s VAL 43 Ca -0.11 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.07 1m94 s VAL 43 Cb -0.15 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1m94 s VAL 43 CO 0.01 -0.00 0.23 -0.76 0.00 0.00 0.00 175.10 174.58 1m94 s LEU 44 N 1.50 4.37 0.01 3.92 1.43 -1.26 -0.80 118.68 127.86 1m94 s LEU 44 Ca 0.02 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.63 1m94 s LEU 44 Cb -0.18 -2.58 -0.01 0.00 0.03 0.00 0.00 46.19 43.45 1m94 s LEU 44 CO 0.03 0.27 -0.07 -1.10 0.23 0.00 0.00 176.35 175.71 1m94 s GLN 45 N -1.72 0.55 -0.16 1.70 -0.21 -0.57 -0.38 119.66 118.87 1m94 s GLN 45 Ca 0.26 -0.43 -0.12 0.00 0.02 0.00 0.00 55.36 55.09 1m94 s GLN 45 Cb -0.13 -0.48 -0.05 0.00 1.00 0.00 0.00 33.01 33.35 1m94 s GLN 45 CO 0.15 0.12 -0.19 1.63 -2.12 0.00 0.00 175.29 174.88 1m94 n LYS 46 N 2.39 0.48 -2.88 2.91 4.76 -0.85 -0.70 118.16 124.28 1m94 n LYS 46 Ca -0.16 0.46 -0.11 0.00 -2.87 0.00 0.00 58.31 55.62 1m94 n LYS 46 Cb 0.57 -1.64 0.01 0.00 -1.84 0.00 0.00 35.03 32.13 1m94 n LYS 46 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1m94 n GLY 47 N 1.56 0.57 1.85 0.72 0.00 -1.26 -4.73 105.19 103.91 1m94 n GLY 47 Ca -0.12 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 1.95 0.46 3.37 -0.02 0.00 -1.26 -5.04 105.19 104.64 1m94 n GLY 48 Ca 0.14 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.93 -0.51 0.37 1.61 0.01 -1.26 -5.16 113.70 105.83 1m94 s SER 49 Ca 0.00 0.97 -0.24 0.00 1.31 0.00 0.00 55.95 57.99 1m94 s SER 49 Cb 0.00 0.97 -0.10 0.00 0.21 0.00 0.00 66.02 67.10 1m94 s SER 49 CO 0.00 -0.17 0.95 0.68 0.41 0.00 0.00 173.24 175.11 1m94 s VAL 50 N 0.37 4.25 -0.03 3.43 -7.23 -1.26 -2.00 120.40 117.92 1m94 s VAL 50 Ca -0.01 1.68 -0.13 0.00 -1.81 0.00 0.00 61.98 61.71 1m94 s VAL 50 Cb -0.04 -3.85 -0.05 0.00 0.56 0.00 0.00 36.38 33.00 1m94 s VAL 50 CO -0.01 -0.03 0.34 -0.76 -0.31 0.00 0.00 175.10 174.34 1m94 s LEU 51 N -2.48 4.45 0.07 1.32 1.43 0.48 -4.89 118.68 119.05 1m94 s LEU 51 Ca 0.55 0.84 0.06 0.00 -1.03 0.00 0.00 54.13 54.55 1m94 s LEU 51 Cb -0.15 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 1m94 s LEU 51 CO 0.20 0.33 -0.12 -0.54 0.23 0.00 0.00 176.35 176.46 1m94 s LYS 52 N -1.00 2.17 0.53 1.70 1.02 -1.26 -4.69 119.74 118.20 1m94 s LYS 52 Ca 0.22 -0.96 0.24 0.00 0.02 0.00 0.00 55.97 55.48 1m94 s LYS 52 Cb -0.15 -2.30 1.45 0.00 -0.52 0.00 0.00 37.83 36.31 1m94 s LYS 52 CO 0.11 0.53 2.12 0.38 -0.92 0.00 0.00 175.35 177.58 1m94 h ASP 53 N 4.05 0.00 0.48 2.83 2.03 -1.95 -1.76 116.42 122.10 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 0.51 0.08 0.00 1.41 -1.03 0.00 0.00 179.24 180.21 1m94 n HIS 54 N -3.96 0.19 -4.43 4.15 8.25 -1.26 -4.02 115.22 114.14 1m94 n HIS 54 Ca -0.02 0.08 -0.32 0.00 -0.26 0.00 0.00 57.72 57.19 1m94 n HIS 54 Cb 0.17 -0.62 -0.10 0.00 1.12 0.00 0.00 29.99 30.56 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 -3.08 3.65 0.50 1.59 1.09 -0.66 -5.03 121.20 119.26 1m94 s ILE 55 Ca 0.05 -0.80 -0.19 0.00 -1.10 0.00 0.00 60.65 58.61 1m94 s ILE 55 Cb 0.08 -2.60 -0.08 0.00 -1.06 0.00 0.00 42.46 38.80 1m94 s ILE 55 CO 0.26 0.37 1.01 -0.94 -0.10 0.00 0.00 174.94 175.55 1m94 s SER 56 N -1.49 6.42 0.37 3.58 1.04 -1.26 -2.25 113.70 120.10 1m94 s SER 56 Ca 0.18 1.80 0.05 0.00 0.48 0.00 0.00 55.95 58.46 1m94 s SER 56 Cb -0.11 -2.54 0.73 0.00 0.10 0.00 0.00 66.02 64.19 1m94 s SER 56 CO 0.08 -0.73 1.98 -0.07 0.98 0.00 0.00 173.24 175.48 1m94 h LEU 57 N 1.34 0.52 -1.34 2.42 3.38 -1.05 -1.64 115.31 118.93 1m94 h LEU 57 Ca -0.48 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 1m94 h LEU 57 Cb 1.21 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1m94 h LEU 57 CO 0.60 0.46 0.06 -0.08 0.09 0.00 0.00 178.44 179.57 1m94 h GLU 58 N 0.58 0.51 -0.53 1.13 4.57 -1.19 -1.14 114.58 118.52 1m94 h GLU 58 Ca 0.15 -0.08 -0.07 0.00 -1.18 0.00 0.00 59.36 58.17 1m94 h GLU 58 Cb 0.08 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1m94 h GLU 58 CO -0.02 0.48 0.07 0.22 -1.18 0.00 0.00 179.01 178.58 1m94 h ASP 59 N 0.50 0.85 1.15 1.04 3.58 -1.59 -2.25 116.42 119.69 1m94 h ASP 59 Ca 0.12 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.29 1m94 h ASP 59 Cb 0.22 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1m94 h ASP 59 CO -0.00 0.91 0.00 1.88 -2.88 0.00 0.00 179.24 179.15 1m94 h TYR 60 N 0.77 0.00 -2.68 0.28 0.05 -1.28 -3.48 116.97 110.63 1m94 h TYR 60 Ca 0.16 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.94 1m94 h TYR 60 Cb 0.43 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.17 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 -2.44 0.00 -4.02 4.88 0.00 -0.48 -5.03 120.64 113.55 1m94 n GLU 61 Ca 0.03 0.45 -0.32 0.00 0.00 0.00 0.00 57.16 57.32 1m94 n GLU 61 Cb 0.34 -1.34 -0.15 0.00 0.00 0.00 0.00 31.44 30.29 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 -1.79 2.33 0.37 6.31 1.01 -1.05 -5.01 120.40 122.57 1m94 s VAL 62 Ca 0.00 -1.98 0.04 0.00 0.00 0.00 0.00 61.98 60.04 1m94 s VAL 62 Cb 0.00 -2.55 0.04 0.00 0.00 0.00 0.00 36.38 33.87 1m94 s VAL 62 CO 0.00 -0.34 0.32 1.41 0.00 0.00 0.00 175.10 176.49 1m94 n HIS 63 N 4.37 -1.21 -2.13 5.22 8.25 -1.26 -4.71 115.22 123.74 1m94 n HIS 63 Ca -0.05 -1.52 -0.41 0.00 -0.26 0.00 0.00 57.72 55.48 1m94 n HIS 63 Cb 0.42 -0.31 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 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 -3.19 6.80 -1.43 0.41 -1.08 -1.26 -2.85 116.67 114.06 1m94 s ASP 64 Ca 0.24 2.60 -0.10 0.00 -0.52 0.00 0.00 52.55 54.77 1m94 s ASP 64 Cb -0.02 -2.63 0.04 0.00 -1.46 0.00 0.00 42.92 38.84 1m94 s ASP 64 CO 0.16 -0.55 1.05 1.67 0.52 0.00 0.00 175.17 178.01 1m94 n GLN 65 N 1.62 -6.79 -3.18 4.34 -0.06 0.20 -4.87 117.38 108.64 1m94 n GLN 65 Ca 0.03 0.75 -0.26 0.00 -2.00 0.00 0.00 57.00 55.52 1m94 n GLN 65 Cb 0.42 -5.73 -0.01 0.00 -4.06 0.00 0.00 30.24 20.85 1m94 n GLN 65 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 1m94 s THR 66 N -3.29 5.03 -0.05 1.69 -1.32 -1.13 -4.93 115.64 111.63 1m94 s THR 66 Ca 0.58 -0.15 -0.07 0.00 -1.21 0.00 0.00 61.69 60.84 1m94 s THR 66 Cb -0.27 -3.83 -0.04 0.00 -1.51 0.00 0.00 72.50 66.85 1m94 s THR 66 CO 0.72 -0.57 0.21 0.20 -2.21 0.00 0.00 174.62 172.97 1m94 s ASN 67 N -3.81 6.46 0.22 8.08 -0.87 -1.26 -2.12 114.94 121.64 1m94 s ASN 67 Ca 0.43 0.52 -0.01 0.00 -1.57 0.00 0.00 52.86 52.23 1m94 s ASN 67 Cb -0.10 -2.08 -0.04 0.00 -0.02 0.00 0.00 41.25 39.01 1m94 s ASN 67 CO 0.37 0.33 0.18 -0.22 -2.57 0.00 0.00 177.10 175.19 1m94 s LEU 68 N -1.39 1.13 0.04 0.60 0.20 0.37 -4.92 118.68 114.71 1m94 s LEU 68 Ca 0.21 -1.39 0.06 0.00 0.69 0.00 0.00 54.13 53.71 1m94 s LEU 68 Cb -0.13 0.55 -0.03 0.00 -0.43 0.00 0.00 46.19 46.14 1m94 s LEU 68 CO 0.11 -0.90 -0.16 -1.61 -0.29 0.00 0.00 176.35 173.50 1m94 s GLU 69 N -4.05 2.15 -0.03 1.98 8.01 0.12 -0.79 118.70 126.09 1m94 s GLU 69 Ca 0.38 -0.94 0.02 0.00 0.01 0.00 0.00 54.97 54.43 1m94 s GLU 69 Cb 0.06 -2.25 0.01 0.00 -4.31 0.00 0.00 34.13 27.64 1m94 s GLU 69 CO 0.13 0.55 -0.08 -1.17 0.01 0.00 0.00 175.26 174.70 1m94 s LEU 70 N -1.51 1.71 0.07 1.80 2.96 0.17 -1.52 118.68 122.37 1m94 s LEU 70 Ca 0.16 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 1m94 s LEU 70 Cb -0.11 -0.55 -0.04 0.00 0.50 0.00 0.00 46.19 45.99 1m94 s LEU 70 CO 0.06 0.04 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.78 1m94 s TYR 71 N 0.34 0.72 -0.26 5.38 2.02 0.02 -4.01 117.35 121.56 1m94 s TYR 71 Ca -0.06 -0.95 -0.04 0.00 -0.37 0.00 0.00 57.07 55.66 1m94 s TYR 71 Cb -0.10 -0.45 0.02 0.00 -0.40 0.00 0.00 41.96 41.02 1m94 s TYR 71 CO 0.01 -0.24 -0.01 0.71 -1.57 0.00 0.00 175.55 174.44 1m94 s TYR 72 N -3.60 3.09 0.00 2.71 2.02 -1.26 -0.38 117.35 119.92 1m94 s TYR 72 Ca 0.08 -1.31 0.00 0.00 -0.37 0.00 0.00 57.07 55.47 1m94 s TYR 72 Cb 0.05 -2.13 0.00 0.00 -0.40 0.00 0.00 41.96 39.49 1m94 s TYR 72 CO -0.07 -0.66 0.00 -0.11 -1.57 0.00 0.00 175.55 173.14