#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4f n PRO 6 N 0.00 0.11 -2.35 2.89 -0.02 -1.26 -4.96 135.00 129.40 1b4f n PRO 6 Ca 0.00 0.11 -0.39 0.00 -2.02 0.00 0.00 63.50 61.20 1b4f n PRO 6 Cb 0.00 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.03 1b4f n PRO 6 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1b4f s ASP 7 N -2.17 6.84 -0.22 2.55 2.15 -1.26 -5.03 116.67 119.53 1b4f s ASP 7 Ca 0.72 2.34 0.02 0.00 0.43 0.00 0.00 52.55 56.06 1b4f s ASP 7 Cb -0.28 -2.62 0.04 0.00 -0.30 0.00 0.00 42.92 39.75 1b4f s ASP 7 CO 0.52 -0.45 -0.15 -0.47 -0.17 0.00 0.00 175.17 174.44 1b4f s TYR 8 N -1.31 3.01 0.00 -5.34 5.04 -1.26 -4.96 117.35 112.52 1b4f s TYR 8 Ca 0.52 -1.94 0.00 0.00 -2.44 0.00 0.00 57.07 53.20 1b4f s TYR 8 Cb -0.32 -1.93 0.00 0.00 0.35 0.00 0.00 41.96 40.06 1b4f s TYR 8 CO 0.40 -0.84 0.05 2.41 -1.34 0.00 0.00 175.55 176.24 1b4f n THR 9 N 4.54 0.00 -3.67 4.34 -1.04 -1.26 -5.10 114.28 112.09 1b4f n THR 9 Ca -0.18 -0.31 -0.01 0.00 -2.04 0.00 0.00 64.05 61.51 1b4f n THR 9 Cb 0.46 1.06 -0.01 0.00 -1.82 0.00 0.00 70.33 70.03 1b4f n THR 9 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1b4f s SER 10 N -0.52 -0.12 0.12 8.00 1.04 -1.26 -4.92 113.70 116.04 1b4f s SER 10 Ca 0.00 -0.23 -0.06 0.00 0.48 0.00 0.00 55.95 56.15 1b4f s SER 10 Cb 0.00 0.30 -0.13 0.00 0.10 0.00 0.00 66.02 66.29 1b4f s SER 10 CO 0.00 -0.54 1.28 -0.26 0.98 0.00 0.00 173.24 174.69 1b4f h PHE 11 N 2.00 0.65 -2.95 5.02 0.04 -2.04 -3.45 116.94 116.21 1b4f h PHE 11 Ca -0.26 -0.37 -0.61 0.00 2.80 0.00 0.00 57.97 59.53 1b4f h PHE 11 Cb 1.21 -0.07 -0.12 0.00 2.20 0.00 0.00 35.95 39.18 1b4f h PHE 11 CO 0.34 1.20 -0.67 -0.80 -0.60 0.00 0.00 178.31 177.77 1b4f s ASN 12 N -7.12 4.71 0.21 2.17 0.01 -1.26 -5.13 114.94 108.53 1b4f s ASN 12 Ca -0.06 -0.40 -0.02 0.00 -0.71 0.00 0.00 52.86 51.67 1b4f s ASN 12 Cb 0.08 -0.98 -0.04 0.00 0.41 0.00 0.00 41.25 40.72 1b4f s ASN 12 CO 0.88 0.10 0.42 0.28 -1.51 0.00 0.00 177.10 177.26 1b4f s THR 13 N -1.67 5.17 0.29 1.60 -1.32 -1.26 -4.97 115.64 113.48 1b4f s THR 13 Ca 0.27 -0.28 -0.02 0.00 -1.21 0.00 0.00 61.69 60.44 1b4f s THR 13 Cb -0.09 -3.73 0.27 0.00 -1.51 0.00 0.00 72.50 67.43 1b4f s THR 13 CO 0.18 -0.19 1.95 0.58 -2.21 0.00 0.00 174.62 174.93 1b4f h VAL 14 N 1.53 1.19 -0.65 5.08 2.07 -1.95 -2.03 116.25 121.49 1b4f h VAL 14 Ca -0.48 -0.39 0.05 0.00 0.82 0.00 0.00 66.70 66.70 1b4f h VAL 14 Cb 1.19 -0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1b4f h VAL 14 CO 0.68 0.21 0.37 0.44 0.02 0.00 0.00 177.57 179.29 1b4f h ASP 15 N 1.14 0.57 -0.70 0.57 5.19 -1.94 -0.97 116.42 120.30 1b4f h ASP 15 Ca 0.33 0.02 -0.08 0.00 -0.62 0.00 0.00 57.03 56.69 1b4f h ASP 15 Cb -0.07 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 39.32 1b4f h ASP 15 CO -0.08 0.38 0.14 -0.33 -3.12 0.00 0.00 179.24 176.22 1b4f h GLU 16 N 0.70 1.13 -0.18 3.56 5.08 -1.79 -1.81 114.58 121.27 1b4f h GLU 16 Ca 0.28 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1b4f h GLU 16 Cb 0.13 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1b4f h GLU 16 CO -0.16 1.02 0.12 2.35 -1.00 0.00 0.00 179.01 181.34 1b4f h TRP 17 N 1.07 0.23 -0.76 4.33 7.01 -0.82 -0.55 115.95 126.45 1b4f h TRP 17 Ca 0.21 0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.30 1b4f h TRP 17 Cb 0.42 -0.08 -0.07 0.00 -2.10 0.00 0.00 29.16 27.33 1b4f h TRP 17 CO 0.03 0.15 0.42 -0.07 -2.79 0.00 0.00 178.44 176.19 1b4f h LEU 18 N 0.24 0.60 -0.72 0.65 3.38 -0.86 -1.44 115.31 117.17 1b4f h LEU 18 Ca 0.07 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1b4f h LEU 18 Cb -0.02 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1b4f h LEU 18 CO -0.01 0.36 0.35 -0.33 0.09 0.00 0.00 178.44 178.89 1b4f h GLU 19 N 0.73 1.03 -0.28 1.13 4.39 -0.88 0.31 114.58 121.01 1b4f h GLU 19 Ca 0.36 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.86 1b4f h GLU 19 Cb 0.31 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1b4f h GLU 19 CO -0.23 0.81 -0.04 0.00 -1.16 0.00 0.00 179.01 178.38 1b4f h ALA 20 N 1.17 1.42 -0.46 3.43 0.00 -0.12 0.82 119.26 125.51 1b4f h ALA 20 Ca 0.25 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1b4f h ALA 20 Cb 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1b4f h ALA 20 CO -0.03 0.41 0.00 0.44 0.00 0.00 0.00 179.25 180.07 1b4f n ILE 21 N -4.28 1.62 -1.69 0.00 -5.35 -0.66 -4.92 119.36 104.08 1b4f n ILE 21 Ca 0.01 -0.94 -0.15 0.00 -0.27 0.00 0.00 62.75 61.40 1b4f n ILE 21 Cb 0.25 -0.11 -0.05 0.00 -1.74 0.00 0.00 39.64 37.99 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 0.67 -1.10 -0.59 6.28 4.01 0.28 -4.86 118.16 122.85 1b4f n LYS 22 Ca 0.20 0.95 0.02 0.00 -0.51 0.00 0.00 58.31 58.97 1b4f n LYS 22 Cb 0.79 -5.15 0.22 0.00 -0.51 0.00 0.00 35.03 30.38 1b4f n LYS 22 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1b4f n MET 23 N -2.53 2.21 0.18 1.97 2.81 0.10 -4.72 117.12 117.14 1b4f n MET 23 Ca -0.16 -3.00 0.18 0.00 -1.81 0.00 0.00 57.70 52.91 1b4f n MET 23 Cb 0.54 -1.80 0.73 0.00 -0.71 0.00 0.00 33.22 31.98 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 1.22 0.00 2.00 3.03 0.00 -1.78 -1.33 103.07 106.20 1b4f h GLY 24 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1b4f h GLY 24 CO 0.28 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.43 1b4f n GLN 25 N -3.33 0.11 -0.20 4.80 10.64 -1.26 -2.12 117.38 126.01 1b4f n GLN 25 Ca 0.04 0.37 0.11 0.00 -1.83 0.00 0.00 57.00 55.69 1b4f n GLN 25 Cb 0.59 -1.72 0.26 0.00 -0.86 0.00 0.00 30.24 28.51 1b4f n GLN 25 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1b4f n TYR 26 N -1.92 0.54 -0.32 2.61 4.01 -0.50 -4.60 117.16 116.98 1b4f n TYR 26 Ca 0.02 -0.27 0.10 0.00 -0.16 0.00 0.00 57.90 57.59 1b4f n TYR 26 Cb 0.19 0.00 0.27 0.00 -0.31 0.00 0.00 39.34 39.49 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 3.90 0.64 -0.12 -0.72 1.57 -1.60 -0.93 116.57 119.31 1b4f h LYS 27 Ca 0.00 -0.04 -0.21 0.00 -1.87 0.00 0.00 60.65 58.53 1b4f h LYS 27 Cb 0.87 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1b4f h LYS 27 CO 0.00 0.42 -0.77 1.49 -0.57 0.00 0.00 179.45 180.02 1b4f h GLU 28 N 0.66 0.64 -0.85 3.15 4.81 -1.85 -2.36 114.58 118.78 1b4f h GLU 28 Ca 0.51 -0.53 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1b4f h GLU 28 Cb 0.78 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.23 1b4f h GLU 28 CO -0.38 1.15 0.48 0.77 -0.73 0.00 0.00 179.01 180.29 1b4f h SER 29 N 0.43 1.05 -0.19 1.04 0.02 -1.52 0.52 113.55 114.91 1b4f h SER 29 Ca -0.05 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 1b4f h SER 29 Cb 1.39 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 1b4f h SER 29 CO 0.15 0.83 0.05 -0.26 -1.14 0.00 0.00 176.83 176.46 1b4f h PHE 30 N 1.19 0.32 -0.50 3.45 -1.00 -1.16 -2.79 116.94 116.45 1b4f h PHE 30 Ca 0.30 -0.04 -0.06 0.00 2.81 0.00 0.00 57.97 60.98 1b4f h PHE 30 Cb 0.01 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.46 1b4f h PHE 30 CO 0.01 0.42 0.07 0.00 -1.61 0.00 0.00 178.31 177.21 1b4f h ALA 31 N 0.86 0.67 0.00 2.45 0.00 -1.08 -1.42 119.26 120.73 1b4f h ALA 31 Ca 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1b4f h ALA 31 Cb 0.27 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1b4f h ALA 31 CO 0.00 0.41 -0.03 -0.91 0.00 0.00 0.00 179.25 178.72 1b4f h ASN 32 N 0.71 0.00 -0.01 0.00 -0.26 -0.88 -0.85 115.58 114.29 1b4f h ASN 32 Ca 0.15 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 1b4f h ASN 32 Cb 0.41 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 1b4f h ASN 32 CO 0.01 0.03 -0.03 0.00 -1.06 0.00 0.00 177.43 176.37 1b4f n ALA 33 N -2.28 2.60 -0.65 -0.83 0.00 -0.70 -4.93 120.51 113.72 1b4f n ALA 33 Ca -0.03 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1b4f n ALA 33 Cb 0.12 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 1.26 0.81 3.55 0.00 0.00 -0.32 -4.96 105.19 105.52 1b4f n GLY 34 Ca 0.16 0.00 -0.43 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 -3.13 2.86 -0.54 1.61 0.08 -0.62 -4.63 117.98 113.62 1b4f s PHE 35 Ca 0.00 -1.56 0.05 0.00 0.12 0.00 0.00 56.93 55.54 1b4f s PHE 35 Cb 0.00 -4.66 0.02 0.00 -0.57 0.00 0.00 43.02 37.81 1b4f s PHE 35 CO 0.00 -1.76 0.55 0.25 -0.10 0.00 0.00 175.22 174.16 1b4f n THR 36 N 6.17 0.00 -4.21 0.64 -2.24 -1.26 -4.38 114.28 109.00 1b4f n THR 36 Ca 0.43 -0.47 -0.17 0.00 -2.27 0.00 0.00 64.05 61.57 1b4f n THR 36 Cb 0.47 1.08 -0.11 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.68 1.77 0.51 3.42 1.04 -1.26 -4.49 113.70 114.00 1b4f s SER 37 Ca 0.05 -0.80 0.28 0.00 0.48 0.00 0.00 55.95 55.95 1b4f s SER 37 Cb 0.04 -0.04 1.34 0.00 0.10 0.00 0.00 66.02 67.47 1b4f s SER 37 CO 0.09 -0.19 2.01 -0.26 0.98 0.00 0.00 173.24 175.87 1b4f h PHE 38 N 3.56 0.00 -0.00 5.02 0.04 -1.93 -1.08 116.94 122.55 1b4f h PHE 38 Ca -0.39 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.35 1b4f h PHE 38 Cb 1.19 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.34 1b4f h PHE 38 CO 0.64 0.13 -0.15 0.22 -0.60 0.00 0.00 178.31 178.56 1b4f h ASP 39 N 0.00 0.00 0.08 2.17 3.58 -1.95 0.30 116.42 120.60 1b4f h ASP 39 Ca -0.00 -0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.09 1b4f h ASP 39 Cb 0.45 -0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.44 1b4f h ASP 39 CO 0.02 0.15 -2.28 1.33 -2.88 0.00 0.00 179.24 175.58 1b4f n VAL 40 N -4.36 1.43 -0.10 2.25 0.24 -0.61 -4.14 118.33 113.03 1b4f n VAL 40 Ca -0.03 -0.85 -0.04 0.00 -2.04 0.00 0.00 64.34 61.39 1b4f n VAL 40 Cb 0.22 -0.55 0.18 0.00 -1.47 0.00 0.00 33.84 32.21 1b4f n VAL 40 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1b4f h VAL 41 N 0.00 1.24 0.00 3.34 2.07 -1.00 -2.01 116.25 119.89 1b4f h VAL 41 Ca -0.51 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.04 1b4f h VAL 41 Cb 2.21 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1b4f h VAL 41 CO 0.04 0.34 0.00 -1.54 0.02 0.00 0.00 177.57 176.43 1b4f n SER 42 N -4.22 0.54 0.00 0.57 3.41 0.10 -1.97 113.62 112.05 1b4f n SER 42 Ca 0.02 0.68 0.10 0.00 -0.26 0.00 0.00 58.87 59.41 1b4f n SER 42 Cb 0.29 -0.77 -0.07 0.00 -0.26 0.00 0.00 64.21 63.40 1b4f n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b4f n GLN 43 N -2.14 0.07 -1.75 4.33 6.02 -0.77 -4.85 117.38 118.28 1b4f n GLN 43 Ca 0.01 -0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1b4f n GLN 43 Cb 0.14 -1.51 -0.00 0.00 1.02 0.00 0.00 30.24 29.89 1b4f n GLN 43 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1b4f n MET 44 N -1.59 2.56 -4.10 -1.09 2.81 -0.83 -5.03 117.12 109.85 1b4f n MET 44 Ca 0.03 0.90 -0.28 0.00 -1.81 0.00 0.00 57.70 56.54 1b4f n MET 44 Cb 0.36 -2.61 -0.02 0.00 -0.71 0.00 0.00 33.22 30.24 1b4f n MET 44 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1b4f s MET 45 N -1.82 2.24 0.41 0.03 -1.94 -1.26 -4.96 119.30 111.99 1b4f s MET 45 Ca 0.55 -2.15 0.13 0.00 -1.71 0.00 0.00 55.69 52.52 1b4f s MET 45 Cb -0.50 -1.95 0.99 0.00 2.01 0.00 0.00 34.83 35.37 1b4f s MET 45 CO 0.61 -0.61 1.93 1.98 -0.01 0.00 0.00 175.02 178.93 1b4f h MET 46 N 0.84 0.47 -0.31 2.03 1.85 -1.99 0.93 114.93 118.75 1b4f h MET 46 Ca -0.38 -0.03 -0.06 0.00 -0.61 0.00 0.00 59.70 58.63 1b4f h MET 46 Cb 1.31 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 33.22 1b4f h MET 46 CO 0.60 0.31 -0.05 0.93 -0.40 0.00 0.00 176.91 178.30 1b4f h GLU 47 N 0.48 0.49 0.02 0.39 4.39 -1.99 -0.45 114.58 117.92 1b4f h GLU 47 Ca 0.35 -0.12 -0.21 0.00 0.34 0.00 0.00 59.36 59.72 1b4f h GLU 47 Cb 0.70 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1b4f h GLU 47 CO -0.12 0.56 -0.96 -0.44 -1.16 0.00 0.00 179.01 176.89 1b4f h ASP 48 N 0.47 0.23 -0.27 1.42 3.32 -1.22 -1.25 116.42 119.13 1b4f h ASP 48 Ca 0.10 -0.21 -0.11 0.00 0.02 0.00 0.00 57.03 56.83 1b4f h ASP 48 Cb 0.38 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1b4f h ASP 48 CO 0.02 1.06 -0.22 0.40 -1.72 0.00 0.00 179.24 178.78 1b4f h ILE 49 N 0.08 1.27 -0.35 0.35 2.04 -0.95 -1.03 117.51 118.93 1b4f h ILE 49 Ca -0.05 -1.31 -0.12 0.00 1.00 0.00 0.00 64.86 64.38 1b4f h ILE 49 Cb 1.63 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 1b4f h ILE 49 CO 0.14 0.44 -0.24 -0.07 0.00 0.00 0.00 178.15 178.42 1b4f h LEU 50 N 0.65 0.82 -0.79 1.44 3.38 -1.01 -1.09 115.31 118.70 1b4f h LEU 50 Ca 0.09 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.68 1b4f h LEU 50 Cb 0.71 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 1b4f h LEU 50 CO 0.05 1.07 0.48 -0.09 0.09 0.00 0.00 178.44 180.05 1b4f h ARG 51 N 0.56 0.88 0.00 1.13 2.43 -0.93 -0.91 114.38 117.55 1b4f h ARG 51 Ca 0.07 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1b4f h ARG 51 Cb 0.80 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1b4f h ARG 51 CO 0.06 0.58 -0.05 0.28 -1.51 0.00 0.00 179.97 179.33 1b4f h VAL 52 N 0.90 0.23 0.00 0.20 2.07 -1.07 -3.47 116.25 115.11 1b4f h VAL 52 Ca 0.34 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1b4f h VAL 52 Cb 0.12 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1b4f h VAL 52 CO -0.15 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.10 1b4f n GLY 53 N -0.49 1.15 3.60 2.17 0.00 -0.34 -4.77 105.19 106.51 1b4f n GLY 53 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 4.48 -0.03 1.61 1.01 -0.45 -4.84 120.40 120.19 1b4f s VAL 54 Ca 0.00 1.23 0.08 0.00 0.00 0.00 0.00 61.98 63.28 1b4f s VAL 54 Cb 0.00 -4.41 -0.11 0.00 0.00 0.00 0.00 36.38 31.85 1b4f s VAL 54 CO 0.00 -0.66 0.17 0.35 0.00 0.00 0.00 175.10 174.96 1b4f n THR 55 N 6.19 0.00 -2.66 3.92 -2.24 -1.26 -4.33 114.28 113.89 1b4f n THR 55 Ca 0.09 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 1b4f n THR 55 Cb 0.48 0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 69.05 1b4f n THR 55 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1b4f s LEU 56 N -3.45 4.30 0.33 3.22 1.43 -1.26 -4.94 118.68 118.31 1b4f s LEU 56 Ca -0.02 1.63 0.06 0.00 -1.03 0.00 0.00 54.13 54.77 1b4f s LEU 56 Cb 0.05 -3.56 0.72 0.00 0.03 0.00 0.00 46.19 43.43 1b4f s LEU 56 CO 0.31 -0.40 1.86 0.00 0.23 0.00 0.00 176.35 178.35 1b4f h ALA 57 N 7.01 1.71 -0.14 4.21 0.00 -1.99 0.62 119.26 130.69 1b4f h ALA 57 Ca -0.35 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 1b4f h ALA 57 Cb 1.18 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1b4f h ALA 57 CO 0.82 0.04 -0.45 0.78 0.00 0.00 0.00 179.25 180.44 1b4f h GLY 58 N 0.80 0.36 1.22 0.00 0.00 -2.00 -1.44 103.07 102.02 1b4f h GLY 58 Ca 0.47 -0.37 -0.27 0.00 0.00 0.00 0.00 47.33 47.16 1b4f h GLY 58 CO -0.23 0.33 -1.05 0.45 0.00 0.00 0.00 176.54 176.04 1b4f h HIS 59 N 0.27 1.04 -0.86 5.60 -0.00 -1.67 -2.05 115.15 117.48 1b4f h HIS 59 Ca 0.02 -0.57 -0.01 0.00 -0.00 0.00 0.00 60.37 59.82 1b4f h HIS 59 Cb 0.90 -0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 28.15 1b4f h HIS 59 CO 0.02 1.40 0.51 1.96 -0.00 0.00 0.00 177.93 181.83 1b4f h GLN 60 N 0.39 1.17 -0.59 2.45 4.20 -0.71 -1.92 115.11 120.09 1b4f h GLN 60 Ca -0.13 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.39 1b4f h GLN 60 Cb 1.70 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 29.22 1b4f h GLN 60 CO 0.21 0.83 0.08 -0.22 -0.67 0.00 0.00 178.83 179.05 1b4f h LYS 61 N 1.18 1.00 -0.60 1.46 3.64 -1.24 -0.22 116.57 121.79 1b4f h LYS 61 Ca 0.31 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1b4f h LYS 61 Cb -0.03 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 1b4f h LYS 61 CO -0.06 0.95 0.27 -0.22 -2.27 0.00 0.00 179.45 178.12 1b4f h LYS 62 N 0.90 0.89 -0.22 1.90 1.63 -1.05 0.20 116.57 120.81 1b4f h LYS 62 Ca 0.18 -0.15 -0.13 0.00 -0.85 0.00 0.00 60.65 59.70 1b4f h LYS 62 Cb 0.45 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1b4f h LYS 62 CO 0.01 0.73 -0.37 0.82 -3.45 0.00 0.00 179.45 177.20 1b4f h ILE 63 N 0.83 1.32 -0.56 2.00 2.04 -1.12 -1.93 117.51 120.09 1b4f h ILE 63 Ca 0.20 -1.58 -0.09 0.00 1.00 0.00 0.00 64.86 64.39 1b4f h ILE 63 Cb 0.16 1.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1b4f h ILE 63 CO -0.02 0.50 0.00 -0.07 0.00 0.00 0.00 178.15 178.55 1b4f h LEU 64 N 0.34 0.95 -0.92 1.44 3.38 -0.89 -0.70 115.31 118.92 1b4f h LEU 64 Ca 0.02 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 1b4f h LEU 64 Cb 0.97 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1b4f h LEU 64 CO 0.08 1.00 0.11 0.78 0.09 0.00 0.00 178.44 180.51 1b4f h ASN 65 N 0.90 0.85 -0.53 -0.43 2.35 -0.55 -0.76 115.58 117.40 1b4f h ASN 65 Ca 0.16 -0.17 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 1b4f h ASN 65 Cb 0.52 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1b4f h ASN 65 CO 0.03 0.85 -0.08 -1.28 -1.65 0.00 0.00 177.43 175.30 1b4f h SER 66 N 0.86 1.00 -0.52 5.81 0.87 -0.97 -1.97 113.55 118.64 1b4f h SER 66 Ca 0.18 -0.31 -0.03 0.00 -1.23 0.00 0.00 61.79 60.40 1b4f h SER 66 Cb 0.35 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1b4f h SER 66 CO 0.00 1.10 0.23 0.40 -0.53 0.00 0.00 176.83 178.03 1b4f h ILE 67 N 0.91 1.21 -0.75 2.23 2.04 -0.84 -0.72 117.51 121.59 1b4f h ILE 67 Ca 0.15 -0.62 0.04 0.00 1.00 0.00 0.00 64.86 65.42 1b4f h ILE 67 Cb 0.63 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 1b4f h ILE 67 CO 0.04 0.24 0.47 -0.61 0.00 0.00 0.00 178.15 178.29 1b4f h GLN 68 N 0.70 0.87 -0.61 2.37 4.15 -0.85 -0.27 115.11 121.46 1b4f h GLN 68 Ca 0.18 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.46 1b4f h GLN 68 Cb 0.17 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 1b4f h GLN 68 CO -0.02 0.58 0.06 0.28 -1.93 0.00 0.00 178.83 177.80 1b4f h VAL 69 N 0.90 1.26 -0.34 2.39 2.07 -1.12 -1.12 116.25 120.29 1b4f h VAL 69 Ca 0.31 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1b4f h VAL 69 Cb 0.05 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1b4f h VAL 69 CO -0.13 0.39 0.15 -0.03 0.02 0.00 0.00 177.57 177.97 1b4f h MET 70 N 0.95 0.50 -0.59 1.57 1.85 -0.59 -1.64 114.93 116.99 1b4f h MET 70 Ca 0.18 -0.08 -0.03 0.00 -0.61 0.00 0.00 59.70 59.16 1b4f h MET 70 Cb 0.46 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 32.38 1b4f h MET 70 CO 0.02 0.48 0.23 0.00 -0.40 0.00 0.00 176.91 177.24 1b4f h ARG 71 N 0.41 0.89 -0.78 0.39 3.08 -0.89 0.18 114.38 117.66 1b4f h ARG 71 Ca 0.12 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1b4f h ARG 71 Cb 0.16 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 1b4f h ARG 71 CO -0.01 0.76 0.38 0.00 -1.07 0.00 0.00 179.97 180.03 1b4f h ALA 72 N 1.08 1.20 -0.23 0.04 0.00 -1.01 0.11 119.26 120.45 1b4f h ALA 72 Ca 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1b4f h ALA 72 Cb 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1b4f h ALA 72 CO -0.02 0.61 0.05 0.37 0.00 0.00 0.00 179.25 180.27 1b4f h GLN 73 N 1.11 0.37 -0.67 0.00 4.15 -0.87 -1.26 115.11 117.94 1b4f h GLN 73 Ca 0.27 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.57 1b4f h GLN 73 Cb 0.10 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 1b4f h GLN 73 CO -0.04 0.49 0.32 0.52 -1.93 0.00 0.00 178.83 178.20 1b4f h MET 74 N 0.19 0.96 -0.48 1.69 2.86 -0.39 -2.48 114.93 117.28 1b4f h MET 74 Ca 0.07 -0.13 -0.12 0.00 -2.06 0.00 0.00 59.70 57.46 1b4f h MET 74 Cb 0.29 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1b4f h MET 74 CO 0.00 0.75 -0.17 -0.91 1.06 0.00 0.00 176.91 177.64 1b4f h ASN 75 N 0.95 0.95 -0.29 1.22 2.35 -0.60 -2.10 115.58 118.06 1b4f h ASN 75 Ca 0.23 -0.33 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 1b4f h ASN 75 Cb 0.11 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1b4f h ASN 75 CO -0.03 1.10 0.12 -0.61 -1.65 0.00 0.00 177.43 176.36 1b4f h GLN 76 N 0.82 0.43 -0.48 0.81 -0.00 -1.05 -0.85 115.11 114.79 1b4f h GLN 76 Ca 0.12 -0.08 0.04 0.00 -0.00 0.00 0.00 58.65 58.74 1b4f h GLN 76 Cb 0.72 -0.07 -0.04 0.00 0.00 0.00 0.00 27.48 28.09 1b4f h GLN 76 CO 0.06 0.44 0.24 0.82 0.00 0.00 0.00 178.83 180.39 1b4f h ILE 77 N 0.32 0.95 0.00 2.39 2.04 -1.44 -0.51 117.51 121.27 1b4f h ILE 77 Ca 0.10 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1b4f h ILE 77 Cb 0.17 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1b4f h ILE 77 CO -0.01 0.09 -0.03 1.56 0.00 0.00 0.00 178.15 179.76 1b4f h GLN 78 N 0.47 0.00 0.00 2.37 4.20 -1.09 0.44 115.11 121.49 1b4f h GLN 78 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1b4f h GLN 78 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1b4f h GLN 78 CO -0.15 0.03 0.00 0.66 -0.67 0.00 0.00 178.83 178.69 1b4f h SER 79 N 0.00 0.00 0.00 1.46 4.64 0.38 -3.22 113.55 116.81 1b4f h SER 79 Ca -0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 1b4f h SER 79 Cb 0.20 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.23 1b4f h SER 79 CO 0.00 0.00 -2.29 1.33 -0.87 0.00 0.00 176.83 175.00 1b4f n VAL 80 N -3.01 1.28 -0.99 0.95 0.24 -0.93 -5.10 118.33 110.76 1b4f n VAL 80 Ca 0.04 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 1b4f n VAL 80 Cb 0.49 -1.62 0.00 0.00 -1.47 0.00 0.00 33.84 31.24 1b4f n VAL 80 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07