#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4f s ASP 7 N 0.00 -0.20 -0.29 2.55 -4.77 -1.26 -5.06 116.67 107.63 1b4f s ASP 7 Ca 0.00 0.42 0.08 0.00 -3.30 0.00 0.00 52.55 49.75 1b4f s ASP 7 Cb 0.00 1.40 0.46 0.00 -1.09 0.00 0.00 42.92 43.70 1b4f s ASP 7 CO 0.00 -0.29 1.35 -1.22 0.70 0.00 0.00 175.17 175.71 1b4f n TYR 8 N 5.38 1.43 -1.75 2.11 4.01 -1.26 -5.00 117.16 122.08 1b4f n TYR 8 Ca -0.03 -1.87 -0.26 0.00 -0.16 0.00 0.00 57.90 55.58 1b4f n TYR 8 Cb 0.50 -0.44 -0.05 0.00 -0.31 0.00 0.00 39.34 39.04 1b4f n TYR 8 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1b4f s THR 9 N -3.78 3.16 0.57 -0.72 2.01 -1.26 -4.95 115.64 110.67 1b4f s THR 9 Ca 0.46 -0.05 -0.03 0.00 0.31 0.00 0.00 61.69 62.38 1b4f s THR 9 Cb 0.40 -3.39 0.02 0.00 0.01 0.00 0.00 72.50 69.55 1b4f s THR 9 CO -0.01 -0.37 0.84 -0.44 -0.69 0.00 0.00 174.62 173.95 1b4f s SER 10 N 10.15 5.43 -0.30 3.53 0.01 -1.26 -5.10 113.70 126.17 1b4f s SER 10 Ca 0.85 0.41 -0.22 0.00 1.31 0.00 0.00 55.95 58.30 1b4f s SER 10 Cb -0.13 -1.37 0.18 0.00 0.21 0.00 0.00 66.02 64.92 1b4f s SER 10 CO 0.13 -1.10 1.31 0.72 0.41 0.00 0.00 173.24 174.71 1b4f s PHE 11 N -2.89 -0.15 -0.28 2.43 -0.12 -1.26 -4.95 117.98 110.76 1b4f s PHE 11 Ca 0.54 0.34 0.10 0.00 -0.05 0.00 0.00 56.93 57.86 1b4f s PHE 11 Cb -0.10 0.34 -0.13 0.00 -0.63 0.00 0.00 43.02 42.50 1b4f s PHE 11 CO 0.42 -0.07 0.34 0.09 -0.05 0.00 0.00 175.22 175.95 1b4f n ASN 12 N 2.20 1.39 -4.41 1.98 3.02 -1.26 -4.94 115.26 113.24 1b4f n ASN 12 Ca -0.13 -0.42 -0.21 0.00 -0.03 0.00 0.00 54.58 53.79 1b4f n ASN 12 Cb 0.57 1.20 -0.10 0.00 -0.61 0.00 0.00 39.78 40.84 1b4f n ASN 12 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1b4f s THR 13 N -2.28 1.99 0.33 3.41 -4.23 -1.26 -5.02 115.64 108.58 1b4f s THR 13 Ca 0.01 -2.26 0.02 0.00 -1.18 0.00 0.00 61.69 58.28 1b4f s THR 13 Cb 0.07 -2.23 0.28 0.00 1.34 0.00 0.00 72.50 71.96 1b4f s THR 13 CO 0.42 -0.46 1.96 0.58 -0.54 0.00 0.00 174.62 176.58 1b4f h VAL 14 N 2.38 1.10 -0.90 2.29 2.07 -1.93 -1.38 116.25 119.88 1b4f h VAL 14 Ca -0.39 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1b4f h VAL 14 Cb 1.24 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1b4f h VAL 14 CO 0.63 0.17 0.57 0.44 0.02 0.00 0.00 177.57 179.40 1b4f h ASP 15 N 0.93 1.06 0.12 0.57 3.32 -1.94 -1.97 116.42 118.51 1b4f h ASP 15 Ca 0.31 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.19 1b4f h ASP 15 Cb 0.08 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1b4f h ASP 15 CO -0.09 0.80 -0.41 -0.33 -1.72 0.00 0.00 179.24 177.48 1b4f h GLU 16 N 1.23 0.38 -0.22 3.56 5.08 -1.67 -2.03 114.58 120.92 1b4f h GLU 16 Ca 0.33 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1b4f h GLU 16 Cb -0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1b4f h GLU 16 CO -0.07 0.73 -0.11 2.35 -1.00 0.00 0.00 179.01 180.92 1b4f h TRP 17 N 0.32 0.53 -0.40 4.33 7.01 -1.10 0.13 115.95 126.76 1b4f h TRP 17 Ca 0.03 -0.13 0.03 0.00 2.11 0.00 0.00 58.89 60.92 1b4f h TRP 17 Cb 0.87 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.77 1b4f h TRP 17 CO 0.02 0.74 0.21 -0.07 -2.79 0.00 0.00 178.44 176.56 1b4f h LEU 18 N 0.17 0.32 -0.50 0.65 3.38 -1.18 -0.93 115.31 117.22 1b4f h LEU 18 Ca 0.05 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1b4f h LEU 18 Cb 0.60 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1b4f h LEU 18 CO 0.03 0.23 0.30 -0.33 0.09 0.00 0.00 178.44 178.76 1b4f h GLU 19 N 0.43 0.68 -0.96 1.13 5.08 -1.31 0.36 114.58 119.99 1b4f h GLU 19 Ca 0.16 -0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 1b4f h GLU 19 Cb 0.05 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.09 1b4f h GLU 19 CO -0.10 0.51 0.61 0.00 -1.00 0.00 0.00 179.01 179.02 1b4f h ALA 20 N 1.14 1.36 -0.38 3.43 0.00 -0.19 0.17 119.26 124.79 1b4f h ALA 20 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1b4f h ALA 20 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1b4f h ALA 20 CO -0.03 0.33 0.00 0.44 0.00 0.00 0.00 179.25 179.99 1b4f n ILE 21 N -4.58 1.10 -2.14 0.00 -5.35 -0.43 -4.93 119.36 103.03 1b4f n ILE 21 Ca 0.16 -0.69 -0.17 0.00 -0.27 0.00 0.00 62.75 61.78 1b4f n ILE 21 Cb 0.23 -0.05 -0.02 0.00 -1.74 0.00 0.00 39.64 38.06 1b4f n ILE 21 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1b4f n LYS 22 N 0.55 -1.29 -0.62 6.28 5.02 0.58 -4.87 118.16 123.80 1b4f n LYS 22 Ca 0.15 0.86 0.02 0.00 -2.02 0.00 0.00 58.31 57.32 1b4f n LYS 22 Cb 0.59 -5.24 0.20 0.00 -0.02 0.00 0.00 35.03 30.56 1b4f n LYS 22 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1b4f n MET 23 N -2.58 1.91 0.02 1.97 2.81 0.11 -4.71 117.12 116.66 1b4f n MET 23 Ca -0.19 -3.08 0.22 0.00 -1.81 0.00 0.00 57.70 52.84 1b4f n MET 23 Cb 0.63 -1.75 0.73 0.00 -0.71 0.00 0.00 33.22 32.12 1b4f n MET 23 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1b4f h GLY 24 N 1.02 0.00 2.00 3.03 0.00 -1.83 0.44 103.07 107.73 1b4f h GLY 24 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1b4f h GLY 24 CO 0.24 0.00 0.00 0.06 0.00 0.00 0.00 176.54 176.84 1b4f h GLN 25 N 0.00 0.00 -0.67 4.80 3.07 -1.92 -0.68 115.11 119.71 1b4f h GLN 25 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.00 1b4f h GLN 25 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.79 1b4f h GLN 25 CO -0.00 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.58 1b4f n TYR 26 N -2.48 0.95 -0.17 0.06 4.01 0.15 -4.63 117.16 115.05 1b4f n TYR 26 Ca -0.02 -0.51 -0.03 0.00 -0.16 0.00 0.00 57.90 57.19 1b4f n TYR 26 Cb 0.06 -0.03 0.07 0.00 -0.31 0.00 0.00 39.34 39.13 1b4f n TYR 26 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1b4f h LYS 27 N 3.94 0.38 -0.43 -0.72 1.57 -1.27 -1.43 116.57 118.61 1b4f h LYS 27 Ca 0.00 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 1b4f h LYS 27 Cb 1.00 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1b4f h LYS 27 CO 0.02 0.25 -0.12 0.93 -0.57 0.00 0.00 179.45 179.96 1b4f h GLU 28 N 0.39 0.85 -0.48 3.15 5.08 -1.82 -2.61 114.58 119.14 1b4f h GLU 28 Ca 0.25 -0.33 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1b4f h GLU 28 Cb 0.26 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1b4f h GLU 28 CO -0.24 0.97 0.23 0.77 -1.00 0.00 0.00 179.01 179.73 1b4f h SER 29 N 0.67 0.31 0.04 1.42 0.02 -1.77 0.43 113.55 114.67 1b4f h SER 29 Ca 0.11 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1b4f h SER 29 Cb 0.67 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1b4f h SER 29 CO 0.05 0.22 -0.07 -0.26 -1.14 0.00 0.00 176.83 175.62 1b4f h PHE 30 N 0.45 -0.19 -0.37 3.45 -1.00 -1.23 -2.27 116.94 115.78 1b4f h PHE 30 Ca 0.21 0.00 0.05 0.00 2.81 0.00 0.00 57.97 61.04 1b4f h PHE 30 Cb 0.14 0.08 -0.04 0.00 3.61 0.00 0.00 35.95 39.73 1b4f h PHE 30 CO -0.11 -0.12 0.12 0.00 -1.61 0.00 0.00 178.31 176.59 1b4f h ALA 31 N 0.81 0.43 0.00 2.45 0.00 -1.05 0.47 119.26 122.36 1b4f h ALA 31 Ca 0.02 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1b4f h ALA 31 Cb 0.16 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1b4f h ALA 31 CO -0.05 -0.27 -0.03 -0.91 0.00 0.00 0.00 179.25 177.99 1b4f h ASN 32 N 0.27 0.00 0.07 0.00 -0.26 -0.02 -1.45 115.58 114.18 1b4f h ASN 32 Ca 0.17 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 1b4f h ASN 32 Cb 0.16 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 1b4f h ASN 32 CO -0.18 0.03 -0.09 0.00 -1.06 0.00 0.00 177.43 176.12 1b4f n ALA 33 N -2.11 2.75 -0.43 -0.83 0.00 -0.87 -4.94 120.51 114.08 1b4f n ALA 33 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1b4f n ALA 33 Cb 0.31 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1b4f n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b4f n GLY 34 N 1.24 0.77 3.50 0.00 0.00 -0.55 -5.00 105.19 105.16 1b4f n GLY 34 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 1b4f n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b4f s PHE 35 N -2.21 3.20 -0.70 1.61 0.08 0.11 -4.71 117.98 115.36 1b4f s PHE 35 Ca 0.00 -1.86 0.07 0.00 0.12 0.00 0.00 56.93 55.27 1b4f s PHE 35 Cb 0.00 -4.47 0.16 0.00 -0.57 0.00 0.00 43.02 38.14 1b4f s PHE 35 CO 0.00 -1.56 1.04 0.25 -0.10 0.00 0.00 175.22 174.85 1b4f n THR 36 N 5.35 0.71 -3.90 0.64 -2.24 -1.26 -4.33 114.28 109.25 1b4f n THR 36 Ca 0.39 -0.85 -0.10 0.00 -2.27 0.00 0.00 64.05 61.21 1b4f n THR 36 Cb 0.45 0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 69.27 1b4f n THR 36 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1b4f s SER 37 N -0.89 0.09 0.53 3.42 1.04 -1.26 -4.68 113.70 111.96 1b4f s SER 37 Ca 0.13 -0.34 0.27 0.00 0.48 0.00 0.00 55.95 56.49 1b4f s SER 37 Cb 0.07 0.20 1.48 0.00 0.10 0.00 0.00 66.02 67.88 1b4f s SER 37 CO 0.10 -0.41 2.10 -0.26 0.98 0.00 0.00 173.24 175.75 1b4f h PHE 38 N 4.12 0.00 -0.78 5.02 0.04 -1.96 -0.91 116.94 122.47 1b4f h PHE 38 Ca -0.31 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.45 1b4f h PHE 38 Cb 1.19 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.31 1b4f h PHE 38 CO 0.59 0.10 0.47 -0.44 -0.60 0.00 0.00 178.31 178.43 1b4f h ASP 39 N 0.00 0.94 0.55 2.17 5.19 -1.99 0.22 116.42 123.49 1b4f h ASP 39 Ca -0.00 -0.06 -0.29 0.00 -0.62 0.00 0.00 57.03 56.06 1b4f h ASP 39 Cb 0.27 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.52 1b4f h ASP 39 CO 0.01 0.72 -1.52 1.62 -3.12 0.00 0.00 179.24 176.96 1b4f h VAL 40 N 1.07 1.12 -0.72 -1.35 3.04 -1.80 -3.34 116.25 114.27 1b4f h VAL 40 Ca 0.28 -2.85 -0.02 0.00 -1.01 0.00 0.00 66.70 63.09 1b4f h VAL 40 Cb -0.04 2.64 -0.03 0.00 -2.01 0.00 0.00 31.29 31.85 1b4f h VAL 40 CO -0.05 0.74 0.37 0.58 -1.01 0.00 0.00 177.57 178.20 1b4f h VAL 41 N 0.03 1.23 0.00 1.51 2.07 -1.02 -1.48 116.25 118.59 1b4f h VAL 41 Ca -0.22 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1b4f h VAL 41 Cb 1.97 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1b4f h VAL 41 CO 0.12 0.26 0.00 0.77 0.02 0.00 0.00 177.57 178.74 1b4f h SER 42 N 1.00 0.00 0.07 0.57 4.64 -0.68 -1.61 113.55 117.53 1b4f h SER 42 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1b4f h SER 42 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1b4f h SER 42 CO -0.04 0.00 -0.40 0.00 -0.87 0.00 0.00 176.83 175.52 1b4f n GLN 43 N -2.84 1.10 -1.76 4.77 1.13 -0.57 -4.86 117.38 114.34 1b4f n GLN 43 Ca -0.02 -0.84 -0.40 0.00 -1.94 0.00 0.00 57.00 53.80 1b4f n GLN 43 Cb 0.06 -1.48 0.02 0.00 0.11 0.00 0.00 30.24 28.95 1b4f n GLN 43 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1b4f n MET 44 N -0.22 2.25 -4.51 -1.09 2.81 -0.61 -5.04 117.12 110.71 1b4f n MET 44 Ca 0.10 0.80 -0.31 0.00 -1.81 0.00 0.00 57.70 56.49 1b4f n MET 44 Cb 0.43 -2.64 -0.06 0.00 -0.71 0.00 0.00 33.22 30.24 1b4f n MET 44 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1b4f n MET 45 N -0.22 0.83 0.02 0.03 2.81 -1.26 -4.99 117.12 114.36 1b4f n MET 45 Ca 0.05 -3.50 0.04 0.00 -1.81 0.00 0.00 57.70 52.48 1b4f n MET 45 Cb 0.41 0.92 0.44 0.00 -0.71 0.00 0.00 33.22 34.28 1b4f n MET 45 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1b4f h MET 46 N 0.00 0.49 -0.32 0.03 1.85 -2.00 -0.18 114.93 114.80 1b4f h MET 46 Ca -0.40 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 58.63 1b4f h MET 46 Cb 1.21 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 33.11 1b4f h MET 46 CO 0.66 0.34 0.09 1.05 -0.40 0.00 0.00 176.91 178.65 1b4f h GLU 47 N 0.50 0.45 -0.09 0.39 4.11 -1.99 -1.05 114.58 116.90 1b4f h GLU 47 Ca 0.13 -0.06 -0.22 0.00 0.07 0.00 0.00 59.36 59.28 1b4f h GLU 47 Cb -0.03 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.15 1b4f h GLU 47 CO -0.03 0.41 -0.80 -0.44 0.07 0.00 0.00 179.01 178.22 1b4f h ASP 48 N 0.45 0.86 -0.32 3.06 3.32 -1.44 -1.65 116.42 120.71 1b4f h ASP 48 Ca 0.11 -0.67 0.05 0.00 0.02 0.00 0.00 57.03 56.53 1b4f h ASP 48 Cb 0.15 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1b4f h ASP 48 CO -0.01 1.40 0.06 0.40 -1.72 0.00 0.00 179.24 179.38 1b4f h ILE 49 N 0.39 0.85 -0.41 0.35 1.08 -0.95 -1.01 117.51 117.80 1b4f h ILE 49 Ca -0.07 -0.06 -0.06 0.00 -0.39 0.00 0.00 64.86 64.28 1b4f h ILE 49 Cb 1.45 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 35.83 1b4f h ILE 49 CO 0.16 0.03 0.02 -0.07 -0.69 0.00 0.00 178.15 177.61 1b4f h LEU 50 N 0.18 0.61 -0.84 1.44 3.38 -1.17 -2.09 115.31 116.81 1b4f h LEU 50 Ca 0.15 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1b4f h LEU 50 Cb 0.16 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1b4f h LEU 50 CO -0.20 0.66 0.00 -0.09 0.09 0.00 0.00 178.44 178.91 1b4f h ARG 51 N 0.61 0.87 -0.86 1.13 1.12 -0.28 -0.91 114.38 116.06 1b4f h ARG 51 Ca 0.13 -0.24 0.00 0.00 -1.11 0.00 0.00 59.98 58.76 1b4f h ARG 51 Cb 0.35 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.22 1b4f h ARG 51 CO 0.01 0.86 0.00 1.33 -3.11 0.00 0.00 179.97 179.06 1b4f n VAL 52 N -4.20 0.43 -1.33 0.20 0.24 -0.49 -4.89 118.33 108.29 1b4f n VAL 52 Ca 0.03 -0.23 -0.03 0.00 -2.04 0.00 0.00 64.34 62.07 1b4f n VAL 52 Cb 0.31 -0.42 -0.01 0.00 -1.47 0.00 0.00 33.84 32.25 1b4f n VAL 52 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1b4f n GLY 53 N 0.15 0.55 3.39 7.63 0.00 -0.35 -4.72 105.19 111.84 1b4f n GLY 53 Ca 0.05 -0.88 -0.45 0.00 0.00 0.00 0.00 46.02 44.74 1b4f n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b4f s VAL 54 N -2.14 4.96 -0.20 1.61 1.01 -0.81 -4.86 120.40 119.97 1b4f s VAL 54 Ca 0.00 -0.94 0.12 0.00 0.00 0.00 0.00 61.98 61.16 1b4f s VAL 54 Cb 0.00 -4.36 -0.23 0.00 0.00 0.00 0.00 36.38 31.80 1b4f s VAL 54 CO 0.00 -0.91 0.06 0.41 0.00 0.00 0.00 175.10 174.66 1b4f n THR 55 N 5.47 1.45 -2.00 3.92 -1.04 -1.26 -4.34 114.28 116.48 1b4f n THR 55 Ca -0.10 -0.77 -0.42 0.00 -2.04 0.00 0.00 64.05 60.72 1b4f n THR 55 Cb 0.43 -0.82 -0.03 0.00 -1.82 0.00 0.00 70.33 68.10 1b4f n THR 55 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1b4f s LEU 56 N -5.88 4.37 0.51 -4.42 1.43 -1.26 -4.89 118.68 108.54 1b4f s LEU 56 Ca -0.16 2.49 0.16 0.00 -1.03 0.00 0.00 54.13 55.59 1b4f s LEU 56 Cb 0.07 -3.58 1.24 0.00 0.03 0.00 0.00 46.19 43.95 1b4f s LEU 56 CO 0.77 -0.79 2.12 0.00 0.23 0.00 0.00 176.35 178.68 1b4f h ALA 57 N 7.20 1.92 -0.11 4.21 0.00 -1.99 -0.74 119.26 129.75 1b4f h ALA 57 Ca -0.42 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 1b4f h ALA 57 Cb 1.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1b4f h ALA 57 CO 0.91 0.04 -0.55 0.78 0.00 0.00 0.00 179.25 180.43 1b4f h GLY 58 N 0.11 0.35 0.99 0.00 0.00 -1.99 -1.66 103.07 100.87 1b4f h GLY 58 Ca -0.00 -0.41 -0.22 0.00 0.00 0.00 0.00 47.33 46.71 1b4f h GLY 58 CO 0.00 0.36 -0.86 0.45 0.00 0.00 0.00 176.54 176.50 1b4f h HIS 59 N 0.25 0.82 -0.76 5.60 -0.00 -1.59 -2.19 115.15 117.28 1b4f h HIS 59 Ca 0.00 -0.46 0.06 0.00 -0.00 0.00 0.00 60.37 59.97 1b4f h HIS 59 Cb 1.04 -0.09 -0.06 0.00 -0.00 0.00 0.00 27.41 28.31 1b4f h HIS 59 CO 0.03 1.30 0.45 1.96 -0.00 0.00 0.00 177.93 181.67 1b4f h GLN 60 N 0.11 0.81 -0.28 2.45 4.20 -1.15 0.35 115.11 121.60 1b4f h GLN 60 Ca -0.11 -0.05 -0.18 0.00 0.06 0.00 0.00 58.65 58.37 1b4f h GLN 60 Cb 1.55 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 29.15 1b4f h GLN 60 CO 0.17 0.54 -0.53 0.87 -0.67 0.00 0.00 178.83 179.20 1b4f h LYS 61 N 0.83 0.83 0.16 1.46 1.57 -1.30 -0.05 116.57 120.07 1b4f h LYS 61 Ca 0.33 -0.51 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1b4f h LYS 61 Cb 0.17 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1b4f h LYS 61 CO -0.17 1.15 -0.08 -0.22 -0.57 0.00 0.00 179.45 179.56 1b4f h LYS 62 N 0.64 -0.20 -0.09 3.15 3.64 -0.89 -0.15 116.57 122.66 1b4f h LYS 62 Ca 0.02 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1b4f h LYS 62 Cb 1.13 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1b4f h LYS 62 CO 0.12 -0.08 0.06 0.82 -2.27 0.00 0.00 179.45 178.10 1b4f h ILE 63 N -0.28 1.04 -0.47 2.00 2.04 -0.91 -0.74 117.51 120.20 1b4f h ILE 63 Ca -0.02 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 1b4f h ILE 63 Cb 0.22 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1b4f h ILE 63 CO 0.04 0.04 0.08 -0.07 0.00 0.00 0.00 178.15 178.23 1b4f h LEU 64 N 0.10 0.68 -0.51 1.44 3.38 -0.97 -0.72 115.31 118.71 1b4f h LEU 64 Ca 0.03 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 1b4f h LEU 64 Cb 0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1b4f h LEU 64 CO -0.01 0.70 -0.42 0.78 0.09 0.00 0.00 178.44 179.58 1b4f h ASN 65 N 0.69 0.80 0.00 -0.43 2.35 -0.94 0.47 115.58 118.53 1b4f h ASN 65 Ca 0.15 -0.37 -0.06 0.00 -0.55 0.00 0.00 56.30 55.47 1b4f h ASN 65 Cb 0.32 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1b4f h ASN 65 CO 0.00 1.11 -0.16 -1.28 -1.65 0.00 0.00 177.43 175.46 1b4f h SER 66 N 0.61 0.30 -0.18 5.81 0.87 -0.65 0.93 113.55 121.24 1b4f h SER 66 Ca 0.05 -0.07 -0.12 0.00 -1.23 0.00 0.00 61.79 60.41 1b4f h SER 66 Cb 0.97 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1b4f h SER 66 CO 0.09 0.48 -0.36 0.40 -0.53 0.00 0.00 176.83 176.91 1b4f h ILE 67 N 0.29 1.34 -0.73 2.23 2.04 -0.96 -1.38 117.51 120.34 1b4f h ILE 67 Ca 0.05 -1.60 0.05 0.00 1.00 0.00 0.00 64.86 64.37 1b4f h ILE 67 Cb 0.45 1.91 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 1b4f h ILE 67 CO 0.03 0.49 0.44 -0.61 0.00 0.00 0.00 178.15 178.50 1b4f h GLN 68 N 0.22 0.80 -0.44 2.37 5.75 -0.04 0.17 115.11 123.94 1b4f h GLN 68 Ca 0.01 -0.05 -0.12 0.00 -0.15 0.00 0.00 58.65 58.34 1b4f h GLN 68 Cb 0.95 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.31 1b4f h GLN 68 CO 0.08 0.53 -0.19 0.28 -2.65 0.00 0.00 178.83 176.88 1b4f h VAL 69 N 0.83 1.27 -0.17 2.39 2.07 -0.76 -2.22 116.25 119.65 1b4f h VAL 69 Ca 0.31 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1b4f h VAL 69 Cb 0.12 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1b4f h VAL 69 CO -0.15 0.45 0.07 -0.03 0.02 0.00 0.00 177.57 177.93 1b4f h MET 70 N 0.77 0.25 -0.96 1.57 1.85 -0.41 -2.25 114.93 115.74 1b4f h MET 70 Ca 0.11 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.16 1b4f h MET 70 Cb 0.73 -0.04 -0.05 0.00 0.43 0.00 0.00 31.60 32.67 1b4f h MET 70 CO 0.06 0.31 0.61 0.00 -0.40 0.00 0.00 176.91 177.48 1b4f h ARG 71 N 0.13 1.28 -0.88 0.39 3.08 -0.61 -1.63 114.38 116.14 1b4f h ARG 71 Ca 0.06 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1b4f h ARG 71 Cb 0.15 -0.28 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 1b4f h ARG 71 CO -0.01 0.87 0.53 0.00 -1.07 0.00 0.00 179.97 180.29 1b4f h ALA 72 N 1.33 1.27 -0.31 0.04 0.00 -1.24 0.14 119.26 120.50 1b4f h ALA 72 Ca 0.35 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 1b4f h ALA 72 Cb -0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.32 1b4f h ALA 72 CO -0.07 0.62 -0.31 0.37 0.00 0.00 0.00 179.25 179.86 1b4f h GLN 73 N 1.21 0.66 -0.20 0.00 4.15 -0.88 -1.56 115.11 118.50 1b4f h GLN 73 Ca 0.32 -0.30 -0.10 0.00 0.77 0.00 0.00 58.65 59.34 1b4f h GLN 73 Cb -0.04 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1b4f h GLN 73 CO -0.06 0.89 -0.31 0.52 -1.93 0.00 0.00 178.83 177.94 1b4f h MET 74 N 0.57 0.40 -0.01 1.69 2.86 -0.79 -2.14 114.93 117.51 1b4f h MET 74 Ca 0.07 -0.16 -0.14 0.00 -2.06 0.00 0.00 59.70 57.40 1b4f h MET 74 Cb 0.81 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.44 1b4f h MET 74 CO 0.07 0.67 -0.65 -0.91 1.06 0.00 0.00 176.91 177.15 1b4f h ASN 75 N 0.35 0.06 0.55 1.22 2.35 -0.34 -1.93 115.58 117.83 1b4f h ASN 75 Ca 0.05 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1b4f h ASN 75 Cb 0.72 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 39.08 1b4f h ASN 75 CO 0.06 0.69 -0.26 1.56 -1.65 0.00 0.00 177.43 177.83 1b4f h GLN 76 N 0.03 -0.71 -1.13 0.81 4.20 -0.89 -2.38 115.11 115.05 1b4f h GLN 76 Ca -0.01 0.05 0.31 0.00 0.06 0.00 0.00 58.65 59.06 1b4f h GLN 76 Cb 1.16 0.16 -0.08 0.00 0.30 0.00 0.00 27.48 29.02 1b4f h GLN 76 CO 0.09 -0.47 0.75 0.82 -0.67 0.00 0.00 178.83 179.35 1b4f h ILE 77 N -1.08 0.43 0.00 2.54 2.04 -1.39 1.02 117.51 121.07 1b4f h ILE 77 Ca -0.07 -0.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 1b4f h ILE 77 Cb 0.56 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1b4f h ILE 77 CO 0.12 0.04 -0.22 1.56 0.00 0.00 0.00 178.15 179.65 1b4f h GLN 78 N 0.23 0.00 0.00 2.37 4.20 -1.25 -3.51 115.11 117.15 1b4f h GLN 78 Ca 0.62 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.33 1b4f h GLN 78 Cb 1.89 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.67 1b4f h GLN 78 CO -0.22 0.22 0.00 -1.13 -0.67 0.00 0.00 178.83 177.03