#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 2.22 -0.23 1.12 -4.36 -0.31 -4.94 121.20 114.69 1m94 s ILE 2 Ca 0.00 -2.30 -0.02 0.00 -0.26 0.00 0.00 60.65 58.07 1m94 s ILE 2 Cb 0.00 -2.37 0.01 0.00 1.25 0.00 0.00 42.46 41.36 1m94 s ILE 2 CO 0.00 -0.37 -0.07 -1.61 0.24 0.00 0.00 174.94 173.14 1m94 s GLU 3 N -3.58 3.05 0.18 0.37 8.01 -1.26 -1.66 118.70 123.81 1m94 s GLU 3 Ca 0.29 -0.83 0.10 0.00 0.01 0.00 0.00 54.97 54.54 1m94 s GLU 3 Cb -0.01 -2.96 -0.04 0.00 -4.31 0.00 0.00 34.13 26.80 1m94 s GLU 3 CO 0.14 -0.31 -0.19 0.14 0.01 0.00 0.00 175.26 175.05 1m94 s VAL 4 N 1.38 2.68 -0.08 2.63 -7.23 -0.13 0.29 120.40 119.93 1m94 s VAL 4 Ca 0.03 -1.85 0.03 0.00 -1.81 0.00 0.00 61.98 58.38 1m94 s VAL 4 Cb -0.15 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.48 1m94 s VAL 4 CO -0.05 -0.09 -0.18 0.68 -0.31 0.00 0.00 175.10 175.16 1m94 s VAL 5 N -1.62 2.70 -0.10 1.32 -7.23 -1.00 -1.40 120.40 113.07 1m94 s VAL 5 Ca 0.22 -0.82 0.02 0.00 -1.81 0.00 0.00 61.98 59.59 1m94 s VAL 5 Cb -0.08 -2.07 -0.01 0.00 0.56 0.00 0.00 36.38 34.78 1m94 s VAL 5 CO 0.12 0.56 -0.17 0.68 -0.31 0.00 0.00 175.10 175.97 1m94 s VAL 6 N -0.12 2.70 -0.12 1.32 -7.23 0.19 -0.45 120.40 116.69 1m94 s VAL 6 Ca -0.03 -0.81 -0.01 0.00 -1.81 0.00 0.00 61.98 59.33 1m94 s VAL 6 Cb -0.14 -2.08 -0.02 0.00 0.56 0.00 0.00 36.38 34.70 1m94 s VAL 6 CO 0.04 0.55 -0.10 0.54 -0.31 0.00 0.00 175.10 175.82 1m94 s ASN 7 N 0.10 4.34 -0.11 4.85 2.20 -0.71 -0.61 114.94 125.00 1m94 s ASN 7 Ca -0.08 -0.21 -0.12 0.00 -0.94 0.00 0.00 52.86 51.51 1m94 s ASN 7 Cb -0.15 -1.53 -0.10 0.00 -2.00 0.00 0.00 41.25 37.47 1m94 s ASN 7 CO 0.05 0.21 0.35 0.44 -2.94 0.00 0.00 177.10 175.21 1m94 h ASP 8 N 6.37 -0.03 0.00 3.54 3.32 -1.63 0.85 116.42 128.84 1m94 h ASP 8 Ca -0.32 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.35 1m94 h ASP 8 Cb 1.19 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1m94 h ASP 8 CO 0.57 0.65 0.00 0.54 -1.72 0.00 0.00 179.24 179.28 1m94 n ARG 9 N -4.74 0.00 0.15 3.56 3.00 -1.26 -4.62 116.66 112.75 1m94 n ARG 9 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.80 1m94 n ARG 9 Cb 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1m94 n ARG 9 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1m94 n LEU 10 N -3.19 -2.56 0.07 0.55 0.00 -1.26 -4.95 117.00 105.66 1m94 n LEU 10 Ca 0.00 0.57 -0.10 0.00 0.00 0.00 0.00 56.01 56.48 1m94 n LEU 10 Cb 0.00 2.55 -0.01 0.00 0.00 0.00 0.00 43.42 45.96 1m94 n LEU 10 CO 0.00 -0.03 0.26 1.23 0.00 0.00 0.00 177.39 178.85 1m94 h GLY 11 N 0.00 0.34 -4.52 -3.96 0.00 -2.01 -3.44 103.07 89.49 1m94 h GLY 11 Ca 0.00 -0.57 -0.54 0.00 0.00 0.00 0.00 47.33 46.22 1m94 h GLY 11 CO 0.00 0.50 0.56 0.54 0.00 0.00 0.00 176.54 178.15 1m94 s LYS 12 N -3.34 4.43 -0.19 4.80 -0.14 -1.26 -5.02 119.74 119.03 1m94 s LYS 12 Ca -0.04 1.72 -0.08 0.00 -1.36 0.00 0.00 55.97 56.21 1m94 s LYS 12 Cb 0.10 -3.39 0.08 0.00 -1.68 0.00 0.00 37.83 32.94 1m94 s LYS 12 CO 0.84 -0.26 0.43 0.21 -0.76 0.00 0.00 175.35 175.81 1m94 s LYS 13 N 1.21 0.37 0.04 1.68 2.20 -1.26 -2.61 119.74 121.37 1m94 s LYS 13 Ca 0.58 0.95 0.06 0.00 -0.36 0.00 0.00 55.97 57.20 1m94 s LYS 13 Cb -0.28 0.19 -0.03 0.00 -1.51 0.00 0.00 37.83 36.20 1m94 s LYS 13 CO 0.28 -0.21 -0.15 0.08 -0.36 0.00 0.00 175.35 174.99 1m94 s VAL 14 N 2.09 3.04 -0.09 4.02 1.01 0.22 -4.96 120.40 125.73 1m94 s VAL 14 Ca -0.05 -1.11 -0.02 0.00 0.00 0.00 0.00 61.98 60.79 1m94 s VAL 14 Cb -0.10 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1m94 s VAL 14 CO -0.13 0.32 0.00 0.00 0.00 0.00 0.00 175.10 175.29 1m94 s ARG 15 N -1.53 3.05 -0.03 2.72 1.70 -1.26 -0.64 118.95 122.96 1m94 s ARG 15 Ca 0.16 -0.41 -0.09 0.00 -0.47 0.00 0.00 55.73 54.92 1m94 s ARG 15 Cb -0.11 -2.82 0.01 0.00 -0.57 0.00 0.00 34.95 31.47 1m94 s ARG 15 CO 0.07 0.67 0.21 0.54 -1.08 0.00 0.00 175.30 175.71 1m94 s VAL 16 N -0.79 0.05 0.12 4.99 0.11 -0.49 -4.99 120.40 119.39 1m94 s VAL 16 Ca 0.12 -0.40 0.09 0.00 -2.93 0.00 0.00 61.98 58.87 1m94 s VAL 16 Cb -0.11 -0.44 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 1m94 s VAL 16 CO 0.02 -0.22 -0.20 -1.59 -3.33 0.00 0.00 175.10 169.79 1m94 s LYS 17 N -0.85 1.73 0.03 1.54 -2.85 -1.26 -0.95 119.74 117.12 1m94 s LYS 17 Ca -0.09 -1.20 -0.28 0.00 -1.00 0.00 0.00 55.97 53.40 1m94 s LYS 17 Cb -0.05 -2.08 0.09 0.00 -2.06 0.00 0.00 37.83 33.74 1m94 s LYS 17 CO 0.02 0.48 0.91 0.00 0.10 0.00 0.00 175.35 176.86 1m94 s LEU 19 N -2.60 4.32 0.60 0.00 1.43 -1.26 -1.17 118.68 120.00 1m94 s LEU 19 Ca 0.07 1.54 0.37 0.00 -1.03 0.00 0.00 54.13 55.07 1m94 s LEU 19 Cb -0.01 -3.75 1.86 0.00 0.03 0.00 0.00 46.19 44.33 1m94 s LEU 19 CO -0.06 -0.01 2.18 0.00 0.23 0.00 0.00 176.35 178.69 1m94 h ALA 20 N 3.27 1.09 0.00 4.21 0.00 -1.95 -1.46 119.26 124.41 1m94 h ALA 20 Ca -0.48 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1m94 h ALA 20 Cb 1.19 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1m94 h ALA 20 CO 0.65 0.03 -0.31 1.05 0.00 0.00 0.00 179.25 180.68 1m94 h GLU 21 N 0.00 0.00 -7.21 0.00 -0.00 -1.95 0.71 114.58 106.13 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 0.23 0.00 0.14 0.00 -0.00 0.00 0.00 28.75 29.12 1m94 h GLU 21 CO 0.00 0.25 0.36 -0.51 -0.00 0.00 0.00 179.01 179.11 1m94 s ASP 22 N -6.30 4.43 0.61 3.06 1.01 -0.55 -4.63 116.67 114.30 1m94 s ASP 22 Ca 0.05 2.14 -0.01 0.00 0.71 0.00 0.00 52.55 55.44 1m94 s ASP 22 Cb 0.06 -2.56 0.05 0.00 1.01 0.00 0.00 42.92 41.48 1m94 s ASP 22 CO 0.71 -2.10 0.87 -0.44 0.21 0.00 0.00 175.17 174.42 1m94 s SER 23 N -2.47 5.04 0.49 0.27 0.01 -1.26 -0.95 113.70 114.83 1m94 s SER 23 Ca 0.69 0.08 0.18 0.00 1.31 0.00 0.00 55.95 58.21 1m94 s SER 23 Cb -0.24 -0.85 1.21 0.00 0.21 0.00 0.00 66.02 66.36 1m94 s SER 23 CO 0.46 -1.35 2.07 0.58 0.41 0.00 0.00 173.24 175.41 1m94 h VAL 24 N -0.19 0.97 -0.16 3.43 2.07 -1.61 -1.90 116.25 118.85 1m94 h VAL 24 Ca -0.42 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 66.72 1m94 h VAL 24 Cb 1.30 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1m94 h VAL 24 CO 0.53 0.11 0.09 1.23 0.02 0.00 0.00 177.57 179.54 1m94 h GLY 25 N 0.38 0.22 1.24 2.17 0.00 -1.81 0.18 103.07 105.44 1m94 h GLY 25 Ca -0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.16 1m94 h GLY 25 CO 0.01 0.06 -0.10 -1.80 0.00 0.00 0.00 176.54 174.71 1m94 h ASP 26 N 0.19 0.89 -0.78 0.19 3.58 -1.80 -1.88 116.42 116.80 1m94 h ASP 26 Ca 0.06 -0.28 0.01 0.00 0.42 0.00 0.00 57.03 57.25 1m94 h ASP 26 Cb 0.00 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 40.77 1m94 h ASP 26 CO -0.03 1.01 0.51 0.15 -2.88 0.00 0.00 179.24 178.00 1m94 h PHE 27 N 0.81 0.97 -0.20 0.28 3.57 -0.73 -1.50 116.94 120.13 1m94 h PHE 27 Ca 0.13 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.54 1m94 h PHE 27 Cb 0.63 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1m94 h PHE 27 CO 0.04 0.59 -0.37 0.87 -2.23 0.00 0.00 178.31 177.21 1m94 h LYS 28 N 1.03 0.44 -0.46 1.11 1.57 -0.38 -2.60 116.57 117.28 1m94 h LYS 28 Ca 0.29 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 1m94 h LYS 28 Cb -0.08 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1m94 h LYS 28 CO -0.08 0.75 -0.05 0.87 -0.57 0.00 0.00 179.45 180.38 1m94 h LYS 29 N 0.37 0.84 -0.31 3.15 1.57 -0.59 0.13 116.57 121.73 1m94 h LYS 29 Ca 0.04 -0.29 -0.10 0.00 -1.87 0.00 0.00 60.65 58.43 1m94 h LYS 29 Cb 0.83 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1m94 h LYS 29 CO 0.07 0.92 -0.23 0.28 -0.57 0.00 0.00 179.45 179.92 1m94 h VAL 30 N 0.69 1.27 -0.05 0.50 2.07 -1.23 -2.89 116.25 116.60 1m94 h VAL 30 Ca 0.12 -1.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.32 1m94 h VAL 30 Cb 0.57 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1m94 h VAL 30 CO 0.03 0.41 -0.19 -0.07 0.02 0.00 0.00 177.57 177.77 1m94 h LEU 31 N 0.52 0.26 -2.06 2.57 3.38 -1.27 -3.14 115.31 115.57 1m94 h LEU 31 Ca 0.08 -0.62 0.09 0.00 0.09 0.00 0.00 57.88 57.52 1m94 h LEU 31 Cb 0.67 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1m94 h LEU 31 CO 0.05 0.84 0.36 0.77 0.09 0.00 0.00 178.44 180.55 1m94 h SER 32 N -0.30 0.00 0.21 -0.43 4.64 -0.68 0.55 113.55 117.53 1m94 h SER 32 Ca -0.01 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.14 1m94 h SER 32 Cb 0.82 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.91 1m94 h SER 32 CO 0.04 0.00 -0.65 -0.07 -0.87 0.00 0.00 176.83 175.28 1m94 h LEU 33 N 0.00 0.48 0.00 5.97 3.38 -1.46 0.27 115.31 123.94 1m94 h LEU 33 Ca 0.15 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1m94 h LEU 33 Cb 0.87 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1m94 h LEU 33 CO -0.00 1.00 -0.28 1.56 0.09 0.00 0.00 178.44 180.80 1m94 h GLN 34 N 0.30 0.00 0.00 1.13 4.20 -1.00 -3.36 115.11 116.38 1m94 h GLN 34 Ca -0.01 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1m94 h GLN 34 Cb 1.20 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 1m94 h GLN 34 CO 0.11 0.77 -0.24 -0.84 -0.67 0.00 0.00 178.83 177.97 1m94 h ILE 35 N -1.00 0.42 -3.92 2.54 3.07 -1.40 -3.47 117.51 113.75 1m94 h ILE 35 Ca -0.07 -1.53 -0.24 0.00 1.55 0.00 0.00 64.86 64.57 1m94 h ILE 35 Cb 0.86 2.15 0.08 0.00 -0.27 0.00 0.00 36.82 39.65 1m94 h ILE 35 CO -0.04 0.23 -0.41 0.61 -1.05 0.00 0.00 178.15 177.49 1m94 n GLY 36 N 1.04 0.05 0.25 0.16 0.00 0.93 -4.92 105.19 102.70 1m94 n GLY 36 Ca 0.03 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.99 0.00 -1.05 2.61 -1.04 -1.21 -5.05 114.28 104.55 1m94 n THR 37 Ca 0.00 -0.41 0.08 0.00 -2.04 0.00 0.00 64.05 61.68 1m94 n THR 37 Cb 0.54 1.13 -0.04 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 -0.14 -2.57 0.14 -2.82 3.00 -1.26 -3.55 117.38 110.18 1m94 n GLN 38 Ca 0.04 2.06 0.13 0.00 -0.01 0.00 0.00 57.00 59.22 1m94 n GLN 38 Cb 0.21 -2.79 0.47 0.00 0.00 0.00 0.00 30.24 28.13 1m94 n GLN 38 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1m94 h PRO 39 N -0.59 0.00 0.00 -1.09 0.13 -1.93 -2.90 132.00 125.62 1m94 h PRO 39 Ca -0.09 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.95 1m94 h PRO 39 Cb 0.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 1m94 h PRO 39 CO 0.03 0.00 -0.56 -0.91 -0.23 0.00 0.00 178.00 176.34 1m94 h ASN 40 N 0.00 0.00 -0.28 1.44 4.21 -1.95 -3.30 115.58 115.70 1m94 h ASN 40 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1m94 h ASN 40 Cb 0.54 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 1m94 h ASN 40 CO 0.00 0.38 0.00 1.17 -1.29 0.00 0.00 177.43 177.69 1m94 n LYS 41 N -3.12 2.85 -4.07 0.81 3.00 -1.14 -4.87 118.16 111.63 1m94 n LYS 41 Ca 0.01 -2.23 -0.35 0.00 -0.00 0.00 0.00 58.31 55.74 1m94 n LYS 41 Cb 0.70 -1.41 -0.12 0.00 0.00 0.00 0.00 35.03 34.20 1m94 n LYS 41 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1m94 s ILE 42 N -1.56 4.26 -0.33 3.15 1.01 -1.11 -2.07 121.20 124.56 1m94 s ILE 42 Ca 0.27 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.73 1m94 s ILE 42 Cb 0.17 -2.92 0.09 0.00 0.01 0.00 0.00 42.46 39.81 1m94 s ILE 42 CO 0.12 0.43 0.02 -0.69 0.00 0.00 0.00 174.94 174.83 1m94 s VAL 43 N 0.79 2.37 -0.02 2.92 1.01 0.84 -4.90 120.40 123.41 1m94 s VAL 43 Ca 0.01 -2.11 -0.05 0.00 0.00 0.00 0.00 61.98 59.83 1m94 s VAL 43 Cb -0.14 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1m94 s VAL 43 CO 0.02 -0.45 0.22 -0.76 0.00 0.00 0.00 175.10 174.13 1m94 s LEU 44 N 0.98 4.37 -0.02 3.92 1.43 -1.26 -0.48 118.68 127.63 1m94 s LEU 44 Ca 0.05 0.46 0.03 0.00 -1.03 0.00 0.00 54.13 53.65 1m94 s LEU 44 Cb -0.20 -2.56 -0.00 0.00 0.03 0.00 0.00 46.19 43.47 1m94 s LEU 44 CO -0.07 0.28 -0.11 -1.10 0.23 0.00 0.00 176.35 175.59 1m94 s GLN 45 N -1.71 1.02 -0.05 1.70 -0.21 -0.62 -0.49 119.66 119.30 1m94 s GLN 45 Ca 0.25 -0.37 -0.18 0.00 0.02 0.00 0.00 55.36 55.08 1m94 s GLN 45 Cb -0.13 -0.95 -0.13 0.00 1.00 0.00 0.00 33.01 32.80 1m94 s GLN 45 CO 0.15 0.17 0.73 -0.22 -2.12 0.00 0.00 175.29 174.01 1m94 h LYS 46 N 6.18 -0.27 0.00 2.91 3.11 -1.69 -0.16 116.57 126.65 1m94 h LYS 46 Ca -0.33 0.02 -0.19 0.00 -2.81 0.00 0.00 60.65 57.34 1m94 h LYS 46 Cb 1.17 0.06 -0.14 0.00 -1.00 0.00 0.00 32.23 32.33 1m94 h LYS 46 CO 0.49 0.07 -0.34 0.41 -2.81 0.00 0.00 179.45 177.26 1m94 n GLY 47 N 0.66 -0.23 0.03 5.01 0.00 -1.26 -4.61 105.19 104.79 1m94 n GLY 47 Ca -0.07 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 1.10 0.25 3.22 -0.02 0.00 -1.26 -5.06 105.19 103.41 1m94 n GLY 48 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 1m94 n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1m94 s SER 49 N -2.47 2.37 0.28 1.61 1.04 -1.26 -5.13 113.70 110.14 1m94 s SER 49 Ca 0.00 -0.40 -0.28 0.00 0.48 0.00 0.00 55.95 55.74 1m94 s SER 49 Cb 0.00 -0.25 -0.09 0.00 0.10 0.00 0.00 66.02 65.78 1m94 s SER 49 CO 0.00 0.22 0.94 0.54 0.98 0.00 0.00 173.24 175.92 1m94 s VAL 50 N -0.56 4.14 -0.00 5.02 0.11 -1.26 -1.80 120.40 126.04 1m94 s VAL 50 Ca 0.08 1.97 -0.16 0.00 -2.93 0.00 0.00 61.98 60.94 1m94 s VAL 50 Cb -0.08 -4.18 -0.06 0.00 -1.53 0.00 0.00 36.38 30.53 1m94 s VAL 50 CO -0.00 0.34 0.43 -0.76 -3.33 0.00 0.00 175.10 171.78 1m94 s LEU 51 N -1.58 4.47 0.05 2.54 1.43 0.36 -4.89 118.68 121.06 1m94 s LEU 51 Ca 0.45 0.99 0.08 0.00 -1.03 0.00 0.00 54.13 54.62 1m94 s LEU 51 Cb -0.23 -2.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 1m94 s LEU 51 CO 0.28 0.29 -0.21 -0.54 0.23 0.00 0.00 176.35 176.41 1m94 s LYS 52 N -0.94 1.94 0.55 1.70 1.02 -1.26 -4.70 119.74 118.05 1m94 s LYS 52 Ca 0.24 -1.05 0.22 0.00 0.02 0.00 0.00 55.97 55.40 1m94 s LYS 52 Cb -0.17 -2.11 1.46 0.00 -0.52 0.00 0.00 37.83 36.49 1m94 s LYS 52 CO 0.14 0.52 2.15 0.38 -0.92 0.00 0.00 175.35 177.62 1m94 h ASP 53 N 4.50 0.00 0.47 2.83 2.03 -1.95 -1.35 116.42 122.95 1m94 h ASP 53 Ca -0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 1m94 h ASP 53 Cb 1.15 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.65 1m94 h ASP 53 CO 0.46 0.00 0.00 1.41 -1.03 0.00 0.00 179.24 180.08 1m94 n HIS 54 N -4.27 0.48 -4.57 4.15 8.25 -1.26 -4.06 115.22 113.93 1m94 n HIS 54 Ca -0.01 0.20 -0.32 0.00 -0.26 0.00 0.00 57.72 57.33 1m94 n HIS 54 Cb 0.17 -0.83 -0.11 0.00 1.12 0.00 0.00 29.99 30.34 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 3.43 0.53 1.59 1.09 -0.51 -5.03 121.20 119.07 1m94 s ILE 55 Ca 0.04 -0.80 -0.17 0.00 -1.10 0.00 0.00 60.65 58.61 1m94 s ILE 55 Cb 0.08 -2.46 -0.07 0.00 -1.06 0.00 0.00 42.46 38.95 1m94 s ILE 55 CO 0.28 0.44 1.01 -0.94 -0.10 0.00 0.00 174.94 175.63 1m94 s SER 56 N -1.26 6.34 0.39 3.58 1.04 -1.26 -2.34 113.70 120.19 1m94 s SER 56 Ca 0.15 1.72 0.08 0.00 0.48 0.00 0.00 55.95 58.38 1m94 s SER 56 Cb -0.11 -2.53 0.81 0.00 0.10 0.00 0.00 66.02 64.29 1m94 s SER 56 CO 0.05 -0.78 1.99 -0.07 0.98 0.00 0.00 173.24 175.41 1m94 h LEU 57 N 0.96 0.39 -1.35 2.42 3.38 -1.15 -1.65 115.31 118.31 1m94 h LEU 57 Ca -0.47 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.43 1m94 h LEU 57 Cb 1.20 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1m94 h LEU 57 CO 0.60 0.38 0.12 -0.08 0.09 0.00 0.00 178.44 179.55 1m94 h GLU 58 N 0.43 0.57 -0.61 1.13 4.81 -1.07 -1.72 114.58 118.12 1m94 h GLU 58 Ca 0.10 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 1m94 h GLU 58 Cb 0.14 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1m94 h GLU 58 CO -0.01 0.50 0.09 0.22 -0.73 0.00 0.00 179.01 179.08 1m94 h ASP 59 N 0.56 0.97 1.08 1.04 1.82 -1.60 -2.21 116.42 118.09 1m94 h ASP 59 Ca 0.13 -0.27 0.00 0.00 -0.39 0.00 0.00 57.03 56.51 1m94 h ASP 59 Cb 0.17 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 39.92 1m94 h ASP 59 CO -0.01 1.00 0.00 1.88 -1.61 0.00 0.00 179.24 180.50 1m94 h TYR 60 N 0.92 0.00 -3.26 0.28 0.05 -1.29 -3.48 116.97 110.19 1m94 h TYR 60 Ca 0.18 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.95 1m94 h TYR 60 Cb 0.44 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.20 1m94 h TYR 60 CO 0.03 0.00 -0.05 -1.91 -1.05 0.00 0.00 178.16 175.18 1m94 n GLU 61 N -2.49 -0.20 -3.65 4.88 2.13 -0.70 -5.04 120.64 115.56 1m94 n GLU 61 Ca 0.03 0.31 -0.38 0.00 0.66 0.00 0.00 57.16 57.78 1m94 n GLU 61 Cb 0.32 -1.97 -0.12 0.00 0.27 0.00 0.00 31.44 29.94 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 -3.02 4.79 0.46 6.31 1.01 -1.13 -5.04 120.40 123.78 1m94 s VAL 62 Ca 0.03 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.87 1m94 s VAL 62 Cb -0.00 -3.35 0.04 0.00 0.00 0.00 0.00 36.38 33.06 1m94 s VAL 62 CO 0.08 0.18 0.32 1.41 0.00 0.00 0.00 175.10 177.08 1m94 n HIS 63 N 5.00 -0.56 -2.38 5.22 8.25 -1.26 -4.81 115.22 124.68 1m94 n HIS 63 Ca -0.14 -2.00 -0.40 0.00 -0.26 0.00 0.00 57.72 54.92 1m94 n HIS 63 Cb 0.51 -0.37 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 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 -3.71 7.04 -1.32 0.41 -1.08 -1.26 -3.31 116.67 113.43 1m94 s ASP 64 Ca 0.24 2.36 -0.07 0.00 -0.52 0.00 0.00 52.55 54.56 1m94 s ASP 64 Cb -0.02 -2.63 0.01 0.00 -1.46 0.00 0.00 42.92 38.82 1m94 s ASP 64 CO 0.15 -0.31 1.15 0.00 0.52 0.00 0.00 175.17 176.67 1m94 n GLN 65 N 0.89 -7.70 -3.54 4.34 1.13 0.14 -4.91 117.38 107.74 1m94 n GLN 65 Ca 0.00 0.83 -0.25 0.00 -1.94 0.00 0.00 57.00 55.64 1m94 n GLN 65 Cb 0.45 -5.85 -0.02 0.00 0.11 0.00 0.00 30.24 24.92 1m94 n GLN 65 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1m94 s THR 66 N -3.32 5.14 -0.20 5.09 -1.32 -1.21 -4.95 115.64 114.87 1m94 s THR 66 Ca 0.49 -0.46 -0.12 0.00 -1.21 0.00 0.00 61.69 60.39 1m94 s THR 66 Cb -0.21 -3.82 -0.05 0.00 -1.51 0.00 0.00 72.50 66.91 1m94 s THR 66 CO 0.72 -0.40 0.21 0.21 -2.21 0.00 0.00 174.62 173.15 1m94 s ASN 67 N -3.72 6.28 0.20 8.08 3.84 -1.26 -2.38 114.94 125.98 1m94 s ASN 67 Ca 0.39 0.31 0.08 0.00 0.21 0.00 0.00 52.86 53.85 1m94 s ASN 67 Cb -0.10 -2.14 -0.05 0.00 -0.55 0.00 0.00 41.25 38.42 1m94 s ASN 67 CO 0.33 0.10 -0.15 -0.76 -2.79 0.00 0.00 177.10 173.82 1m94 s LEU 68 N 0.67 2.53 0.12 3.21 1.43 0.40 -4.87 118.68 122.18 1m94 s LEU 68 Ca 0.12 -0.99 0.04 0.00 -1.03 0.00 0.00 54.13 52.27 1m94 s LEU 68 Cb -0.13 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.36 1m94 s LEU 68 CO 0.02 -0.15 0.09 -1.61 0.23 0.00 0.00 176.35 174.94 1m94 s GLU 69 N -3.48 2.83 -0.01 1.70 8.01 -0.07 -1.74 118.70 125.95 1m94 s GLU 69 Ca 0.21 -0.80 0.02 0.00 0.01 0.00 0.00 54.97 54.41 1m94 s GLU 69 Cb -0.02 -2.66 -0.01 0.00 -4.31 0.00 0.00 34.13 27.14 1m94 s GLU 69 CO 0.07 0.52 -0.07 -1.17 0.01 0.00 0.00 175.26 174.62 1m94 s LEU 70 N -2.72 2.01 -0.05 1.80 2.96 0.29 -1.59 118.68 121.38 1m94 s LEU 70 Ca 0.30 -0.12 -0.07 0.00 -0.22 0.00 0.00 54.13 54.02 1m94 s LEU 70 Cb -0.11 -0.35 0.01 0.00 0.50 0.00 0.00 46.19 46.24 1m94 s LEU 70 CO 0.22 0.08 0.17 -0.31 -1.32 0.00 0.00 176.35 175.20 1m94 s TYR 71 N -0.15 -0.14 -0.42 5.38 2.02 0.37 -3.99 117.35 120.42 1m94 s TYR 71 Ca 0.03 0.33 -0.16 0.00 -0.37 0.00 0.00 57.07 56.90 1m94 s TYR 71 Cb -0.03 0.04 0.03 0.00 -0.40 0.00 0.00 41.96 41.60 1m94 s TYR 71 CO -0.00 -0.15 0.36 0.71 -1.57 0.00 0.00 175.55 174.91 1m94 s TYR 72 N -0.28 3.21 0.00 2.71 2.02 -1.26 -0.11 117.35 123.64 1m94 s TYR 72 Ca -0.04 -0.57 0.00 0.00 -0.37 0.00 0.00 57.07 56.09 1m94 s TYR 72 Cb -0.03 -2.79 0.00 0.00 -0.40 0.00 0.00 41.96 38.74 1m94 s TYR 72 CO 0.01 -0.67 0.00 -0.11 -1.57 0.00 0.00 175.55 173.21