#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 0.00 -1.18 2.89 -0.02 -1.26 -4.45 135.00 130.99 1b4f n PRO 6 Ca 0.00 0.00 -0.47 0.00 -2.02 0.00 0.00 63.50 61.01 1b4f n PRO 6 Cb 0.00 -0.55 -0.07 0.00 -0.02 0.00 0.00 33.50 32.86 1b4f n PRO 6 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1b4f n ASP 7 N 3.23 0.80 -4.59 2.55 -0.08 -1.26 -4.90 116.55 112.30 1b4f n ASP 7 Ca 0.34 0.78 -0.41 0.00 -1.51 0.00 0.00 54.79 53.99 1b4f n ASP 7 Cb 0.06 -0.63 -0.07 0.00 2.34 0.00 0.00 41.12 42.82 1b4f n ASP 7 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1b4f s TYR 8 N 2.54 3.21 -0.04 -0.67 5.04 -1.26 -4.93 117.35 121.24 1b4f s TYR 8 Ca 0.77 0.43 0.05 0.00 -2.44 0.00 0.00 57.07 55.88 1b4f s TYR 8 Cb -1.07 -2.87 0.08 0.00 0.35 0.00 0.00 41.96 38.45 1b4f s TYR 8 CO 0.56 -0.44 0.94 0.25 -1.34 0.00 0.00 175.55 175.52 1b4f n THR 9 N 5.33 0.66 0.00 4.34 -2.24 -1.26 -5.11 114.28 116.01 1b4f n THR 9 Ca -0.04 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1b4f n THR 9 Cb 0.49 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 1b4f n THR 9 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1b4f n SER 10 N -0.47 0.00 -0.11 3.42 3.41 -1.26 -4.84 113.62 113.77 1b4f n SER 10 Ca 0.04 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.80 1b4f n SER 10 Cb 0.57 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 65.25 1b4f n SER 10 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1b4f n PHE 11 N -0.30 0.00 -3.96 7.33 3.01 -1.26 -4.84 117.46 117.44 1b4f n PHE 11 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.37 1b4f n PHE 11 Cb 0.00 -0.12 -0.10 0.00 -0.01 0.00 0.00 39.48 39.25 1b4f n PHE 11 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1b4f s ASN 12 N -2.27 0.22 0.13 4.37 3.04 -1.26 -5.17 114.94 113.99 1b4f s ASN 12 Ca 0.36 -0.52 0.04 0.00 0.04 0.00 0.00 52.86 52.78 1b4f s ASN 12 Cb 0.21 0.17 -0.04 0.00 -1.54 0.00 0.00 41.25 40.05 1b4f s ASN 12 CO 0.42 -0.42 0.13 0.42 -3.04 0.00 0.00 177.10 174.62 1b4f s THR 13 N -2.12 4.64 0.41 -5.21 -4.23 -1.26 -4.97 115.64 102.91 1b4f s THR 13 Ca -0.09 -0.88 0.13 0.00 -1.18 0.00 0.00 61.69 59.66 1b4f s THR 13 Cb -0.05 -3.32 0.34 0.00 1.34 0.00 0.00 72.50 70.81 1b4f s THR 13 CO -0.03 -0.01 1.93 0.58 -0.54 0.00 0.00 174.62 176.56 1b4f h VAL 14 N 2.20 0.85 -0.89 2.29 2.07 -1.94 -1.21 116.25 119.62 1b4f h VAL 14 Ca -0.47 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 66.89 1b4f h VAL 14 Cb 1.18 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1b4f h VAL 14 CO 0.65 0.09 0.59 0.44 0.02 0.00 0.00 177.57 179.37 1b4f h ASP 15 N 0.49 1.03 0.51 0.57 5.19 -1.93 -0.66 116.42 121.61 1b4f h ASP 15 Ca 0.35 -0.03 -0.13 0.00 -0.62 0.00 0.00 57.03 56.60 1b4f h ASP 15 Cb 0.68 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.92 1b4f h ASP 15 CO -0.12 0.74 -0.60 -0.33 -3.12 0.00 0.00 179.24 175.82 1b4f h GLU 16 N 1.21 0.09 0.26 3.56 5.08 -1.64 -2.03 114.58 121.13 1b4f h GLU 16 Ca 0.33 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1b4f h GLU 16 Cb -0.14 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1b4f h GLU 16 CO -0.07 0.67 -0.13 2.35 -1.00 0.00 0.00 179.01 180.83 1b4f h TRP 17 N 0.07 -0.33 -0.56 4.33 7.01 -0.86 -1.22 115.95 124.40 1b4f h TRP 17 Ca -0.01 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.05 1b4f h TRP 17 Cb 1.08 0.11 -0.06 0.00 -2.10 0.00 0.00 29.16 28.20 1b4f h TRP 17 CO 0.01 -0.12 0.26 -0.07 -2.79 0.00 0.00 178.44 175.72 1b4f h LEU 18 N -0.47 0.33 -1.05 0.65 3.38 -1.02 -1.79 115.31 115.34 1b4f h LEU 18 Ca -0.04 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1b4f h LEU 18 Cb 0.35 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1b4f h LEU 18 CO 0.06 0.22 0.60 -0.33 0.09 0.00 0.00 178.44 179.08 1b4f h GLU 19 N 0.48 1.24 0.00 1.13 4.39 -1.28 0.16 114.58 120.70 1b4f h GLU 19 Ca 0.26 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 1b4f h GLU 19 Cb 0.23 -0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1b4f h GLU 19 CO -0.21 0.84 -0.11 0.00 -1.16 0.00 0.00 179.01 178.36 1b4f h ALA 20 N 1.39 1.36 -0.33 3.43 0.00 -0.36 -1.47 119.26 123.29 1b4f h ALA 20 Ca 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1b4f h ALA 20 Cb -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1b4f h ALA 20 CO -0.07 0.14 0.00 0.44 0.00 0.00 0.00 179.25 179.76 1b4f n ILE 21 N -3.75 2.39 -2.94 0.00 -5.35 -0.96 -4.93 119.36 103.82 1b4f n ILE 21 Ca -0.02 -1.78 -0.22 0.00 -0.27 0.00 0.00 62.75 60.46 1b4f n ILE 21 Cb 0.22 -0.26 0.02 0.00 -1.74 0.00 0.00 39.64 37.88 1b4f n ILE 21 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1b4f n LYS 22 N -0.27 -3.91 -0.97 6.28 4.81 -0.55 -4.88 118.16 118.67 1b4f n LYS 22 Ca 0.23 0.82 -0.06 0.00 -0.87 0.00 0.00 58.31 58.43 1b4f n LYS 22 Cb 0.96 -5.61 0.17 0.00 0.02 0.00 0.00 35.03 30.57 1b4f n LYS 22 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1b4f n MET 23 N -3.72 2.07 0.29 1.64 2.81 0.51 -4.79 117.12 115.91 1b4f n MET 23 Ca -0.12 -3.37 0.17 0.00 -1.81 0.00 0.00 57.70 52.57 1b4f n MET 23 Cb 0.62 -1.86 0.83 0.00 -0.71 0.00 0.00 33.22 32.09 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 1.79 3.03 0.00 -1.83 -2.43 103.07 104.86 1b4f h GLY 24 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1b4f h GLY 24 CO 0.41 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.56 1b4f n GLN 25 N -3.27 0.05 -0.17 4.80 10.64 -1.26 -2.05 117.38 126.11 1b4f n GLN 25 Ca -0.01 0.30 0.11 0.00 -1.83 0.00 0.00 57.00 55.56 1b4f n GLN 25 Cb 0.23 -1.50 0.20 0.00 -0.86 0.00 0.00 30.24 28.31 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 -1.40 0.46 -0.12 2.61 4.01 -0.91 -4.62 117.16 117.19 1b4f n TYR 26 Ca 0.03 -0.26 -0.06 0.00 -0.16 0.00 0.00 57.90 57.45 1b4f n TYR 26 Cb 0.07 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 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 4.06 -0.17 0.00 -0.72 1.57 -1.61 0.58 116.57 120.28 1b4f h LYS 27 Ca 0.00 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1b4f h LYS 27 Cb 0.92 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1b4f h LYS 27 CO 0.00 -0.11 -0.58 1.49 -0.57 0.00 0.00 179.45 179.68 1b4f h GLU 28 N -0.18 0.00 -0.44 3.15 4.81 -1.85 -1.44 114.58 118.64 1b4f h GLU 28 Ca 0.19 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1b4f h GLU 28 Cb 0.48 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1b4f h GLU 28 CO -0.50 0.58 0.14 0.77 -0.73 0.00 0.00 179.01 179.27 1b4f h SER 29 N 0.00 0.64 -0.11 1.04 0.02 -1.49 -1.46 113.55 112.18 1b4f h SER 29 Ca -0.01 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1b4f h SER 29 Cb 1.17 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 1b4f h SER 29 CO 0.08 0.67 0.07 -0.26 -1.14 0.00 0.00 176.83 176.25 1b4f h PHE 30 N 0.58 0.15 -0.24 3.45 -1.00 -0.77 -2.69 116.94 116.41 1b4f h PHE 30 Ca 0.14 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.97 1b4f h PHE 30 Cb 0.26 -0.05 -0.05 0.00 3.61 0.00 0.00 35.95 39.72 1b4f h PHE 30 CO 0.01 0.13 -0.06 0.00 -1.61 0.00 0.00 178.31 176.78 1b4f h ALA 31 N 1.01 0.15 -0.99 2.45 0.00 -1.10 -1.06 119.26 119.73 1b4f h ALA 31 Ca 0.04 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1b4f h ALA 31 Cb 0.02 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1b4f h ALA 31 CO -0.01 -0.47 0.64 -0.91 0.00 0.00 0.00 179.25 178.50 1b4f h ASN 32 N -0.00 1.00 0.00 0.00 -0.26 -1.16 0.10 115.58 115.26 1b4f h ASN 32 Ca 0.11 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 1b4f h ASN 32 Cb 0.18 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 1b4f h ASN 32 CO -0.25 0.63 0.00 0.00 -1.06 0.00 0.00 177.43 176.75 1b4f n ALA 33 N -2.37 2.58 -1.11 -0.83 0.00 -0.91 -4.87 120.51 113.00 1b4f n ALA 33 Ca 0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 53.44 53.43 1b4f n ALA 33 Cb 0.21 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 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 0.76 0.67 3.18 0.00 0.00 0.35 -4.93 105.19 105.23 1b4f n GLY 34 Ca 0.15 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 1b4f n GLY 34 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1b4f n PHE 35 N -2.86 4.00 0.29 1.61 3.72 -0.45 -4.65 117.46 119.11 1b4f n PHE 35 Ca -0.04 -3.08 0.05 0.00 -0.05 0.00 0.00 57.45 54.33 1b4f n PHE 35 Cb 0.14 -2.09 0.06 0.00 -0.94 0.00 0.00 39.48 36.65 1b4f n PHE 35 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1b4f n THR 36 N 4.04 0.21 -4.14 4.37 -2.24 -1.26 -4.42 114.28 110.84 1b4f n THR 36 Ca 0.39 -0.60 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 1b4f n THR 36 Cb 0.40 1.05 -0.11 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.85 1.18 0.34 3.42 1.04 -1.26 -4.58 113.70 112.99 1b4f s SER 37 Ca 0.13 -0.78 0.07 0.00 0.48 0.00 0.00 55.95 55.86 1b4f s SER 37 Cb 0.09 0.04 0.62 0.00 0.10 0.00 0.00 66.02 66.86 1b4f s SER 37 CO 0.12 -0.30 1.82 -0.26 0.98 0.00 0.00 173.24 175.61 1b4f h PHE 38 N 3.72 0.33 -0.00 5.02 0.04 -1.93 -2.29 116.94 121.83 1b4f h PHE 38 Ca -0.36 -0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.29 1b4f h PHE 38 Cb 1.19 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.24 1b4f h PHE 38 CO 0.63 0.50 -0.29 0.38 -0.60 0.00 0.00 178.31 178.93 1b4f h ASP 39 N 0.28 0.00 0.32 2.17 2.03 -1.97 0.18 116.42 119.43 1b4f h ASP 39 Ca 0.05 -0.00 -0.27 0.00 -0.73 0.00 0.00 57.03 56.07 1b4f h ASP 39 Cb 0.53 -0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.05 1b4f h ASP 39 CO 0.04 0.29 -1.17 0.58 -1.03 0.00 0.00 179.24 177.94 1b4f h VAL 40 N 0.00 1.37 -0.26 4.15 2.07 -1.92 -3.20 116.25 118.47 1b4f h VAL 40 Ca -0.00 -2.62 -0.07 0.00 0.82 0.00 0.00 66.70 64.82 1b4f h VAL 40 Cb 0.51 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 1b4f h VAL 40 CO 0.04 0.78 -0.15 0.58 0.02 0.00 0.00 177.57 178.84 1b4f h VAL 41 N 0.21 1.23 0.00 2.57 2.07 -1.05 -2.49 116.25 118.79 1b4f h VAL 41 Ca -0.15 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1b4f h VAL 41 Cb 1.85 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1b4f h VAL 41 CO 0.21 0.34 0.00 -1.54 0.02 0.00 0.00 177.57 176.60 1b4f n SER 42 N -4.19 0.67 -0.86 0.57 3.41 0.59 -1.53 113.62 112.27 1b4f n SER 42 Ca 0.00 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 1b4f n SER 42 Cb 0.33 -0.81 0.08 0.00 -0.26 0.00 0.00 64.21 63.55 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 -2.24 2.09 -2.08 4.33 6.02 -0.94 -4.87 117.38 119.69 1b4f n GLN 43 Ca 0.02 -1.74 -0.38 0.00 -0.01 0.00 0.00 57.00 54.89 1b4f n GLN 43 Cb 0.22 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.03 1b4f n GLN 43 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1b4f s MET 44 N -2.05 3.66 0.53 -1.09 -1.94 -0.58 -5.04 119.30 112.78 1b4f s MET 44 Ca 0.26 2.01 0.00 0.00 -1.71 0.00 0.00 55.69 56.25 1b4f s MET 44 Cb 0.19 -2.47 -0.00 0.00 2.01 0.00 0.00 34.83 34.56 1b4f s MET 44 CO 0.34 -0.70 0.01 -1.64 -0.01 0.00 0.00 175.02 173.03 1b4f s MET 45 N -2.61 2.23 0.35 2.03 -1.94 -1.26 -4.99 119.30 113.10 1b4f s MET 45 Ca 0.64 -2.43 0.10 0.00 -1.71 0.00 0.00 55.69 52.28 1b4f s MET 45 Cb -0.34 -1.53 0.84 0.00 2.01 0.00 0.00 34.83 35.80 1b4f s MET 45 CO 0.42 -0.41 1.83 1.98 -0.01 0.00 0.00 175.02 178.83 1b4f h MET 46 N 1.28 0.65 -0.12 2.03 1.85 -2.00 -1.33 114.93 117.29 1b4f h MET 46 Ca -0.44 -0.04 -0.07 0.00 -0.61 0.00 0.00 59.70 58.55 1b4f h MET 46 Cb 1.33 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 33.20 1b4f h MET 46 CO 0.73 0.43 -0.23 1.05 -0.40 0.00 0.00 176.91 178.49 1b4f h GLU 47 N 0.67 0.21 -0.30 0.39 4.11 -1.99 -1.19 114.58 116.48 1b4f h GLU 47 Ca 0.50 -0.06 -0.15 0.00 0.07 0.00 0.00 59.36 59.71 1b4f h GLU 47 Cb 0.88 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1b4f h GLU 47 CO -0.26 0.43 -0.44 -0.44 0.07 0.00 0.00 179.01 178.38 1b4f h ASP 48 N 0.19 0.81 -0.59 3.06 3.32 -1.63 -0.32 116.42 121.26 1b4f h ASP 48 Ca 0.03 -0.39 -0.10 0.00 0.02 0.00 0.00 57.03 56.60 1b4f h ASP 48 Cb 0.52 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1b4f h ASP 48 CO 0.04 1.13 -0.02 0.40 -1.72 0.00 0.00 179.24 179.07 1b4f h ILE 49 N 0.61 1.27 -0.16 0.35 1.08 -1.21 -1.76 117.51 117.68 1b4f h ILE 49 Ca 0.04 -1.17 -0.10 0.00 -0.39 0.00 0.00 64.86 63.24 1b4f h ILE 49 Cb 1.00 0.84 -0.00 0.00 -3.07 0.00 0.00 36.82 35.59 1b4f h ILE 49 CO 0.09 0.42 -0.28 -0.07 -0.69 0.00 0.00 178.15 177.63 1b4f h LEU 50 N 0.94 0.53 -1.09 1.44 3.38 -1.19 -0.80 115.31 118.52 1b4f h LEU 50 Ca 0.16 -0.54 0.05 0.00 0.09 0.00 0.00 57.88 57.65 1b4f h LEU 50 Cb 0.58 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 1b4f h LEU 50 CO 0.03 0.96 0.61 -0.09 0.09 0.00 0.00 178.44 180.05 1b4f h ARG 51 N 0.11 1.10 0.00 1.13 2.43 -0.86 -0.72 114.38 117.57 1b4f h ARG 51 Ca 0.01 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1b4f h ARG 51 Cb 0.86 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1b4f h ARG 51 CO 0.06 0.73 -0.11 0.28 -1.51 0.00 0.00 179.97 179.42 1b4f h VAL 52 N 1.14 0.69 0.00 0.20 2.07 -1.27 -3.47 116.25 115.60 1b4f h VAL 52 Ca 0.39 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1b4f h VAL 52 Cb 0.10 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1b4f h VAL 52 CO -0.13 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.17 1b4f n GLY 53 N -0.90 1.13 3.56 2.17 0.00 -0.27 -4.81 105.19 106.07 1b4f n GLY 53 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 3.79 -0.15 1.61 1.01 -0.34 -4.87 120.40 119.46 1b4f s VAL 54 Ca 0.00 0.56 0.21 0.00 0.00 0.00 0.00 61.98 62.75 1b4f s VAL 54 Cb 0.00 -4.81 -0.31 0.00 0.00 0.00 0.00 36.38 31.27 1b4f s VAL 54 CO 0.00 -1.64 0.51 0.35 0.00 0.00 0.00 175.10 174.31 1b4f n THR 55 N 6.52 0.00 -2.50 3.92 -2.24 -1.26 -4.42 114.28 114.29 1b4f n THR 55 Ca 0.06 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 61.01 1b4f n THR 55 Cb 0.49 0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.85 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 -4.24 4.42 0.26 3.22 1.43 -1.26 -4.93 118.68 117.58 1b4f s LEU 56 Ca -0.06 2.00 -0.01 0.00 -1.03 0.00 0.00 54.13 55.03 1b4f s LEU 56 Cb 0.14 -3.59 0.54 0.00 0.03 0.00 0.00 46.19 43.30 1b4f s LEU 56 CO 0.86 -0.34 1.76 0.00 0.23 0.00 0.00 176.35 178.86 1b4f h ALA 57 N 6.09 1.27 -0.49 4.21 0.00 -1.99 -0.78 119.26 127.56 1b4f h ALA 57 Ca -0.43 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1b4f h ALA 57 Cb 1.21 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1b4f h ALA 57 CO 0.77 -0.11 -0.09 0.78 0.00 0.00 0.00 179.25 180.59 1b4f h GLY 58 N 0.60 0.97 1.08 0.00 0.00 -1.99 -0.21 103.07 103.51 1b4f h GLY 58 Ca 0.46 -0.74 -0.18 0.00 0.00 0.00 0.00 47.33 46.88 1b4f h GLY 58 CO -0.37 0.68 -0.54 0.45 0.00 0.00 0.00 176.54 176.75 1b4f h HIS 59 N 0.80 0.99 -0.59 5.60 -0.00 -1.70 -0.97 115.15 119.29 1b4f h HIS 59 Ca 0.13 -0.38 0.02 0.00 -0.00 0.00 0.00 60.37 60.15 1b4f h HIS 59 Cb 0.61 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.81 1b4f h HIS 59 CO 0.04 1.19 0.37 1.96 -0.00 0.00 0.00 177.93 181.48 1b4f h GLN 60 N 0.52 0.72 -0.51 2.45 4.20 -0.92 0.52 115.11 122.09 1b4f h GLN 60 Ca -0.00 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 1b4f h GLN 60 Cb 1.16 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 1b4f h GLN 60 CO 0.12 0.48 0.22 -0.22 -0.67 0.00 0.00 178.83 178.76 1b4f h LYS 61 N 0.74 0.75 -0.10 1.46 3.64 -0.96 0.12 116.57 122.23 1b4f h LYS 61 Ca 0.23 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1b4f h LYS 61 Cb -0.02 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1b4f h LYS 61 CO -0.08 0.65 0.03 -0.22 -2.27 0.00 0.00 179.45 177.57 1b4f h LYS 62 N 0.68 0.08 -0.58 1.90 1.63 -0.76 0.71 116.57 120.23 1b4f h LYS 62 Ca 0.17 -0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.89 1b4f h LYS 62 Cb 0.17 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.76 1b4f h LYS 62 CO -0.02 0.05 0.06 0.82 -3.45 0.00 0.00 179.45 176.91 1b4f h ILE 63 N 0.08 1.26 -0.29 2.00 2.04 -0.70 -1.06 117.51 120.83 1b4f h ILE 63 Ca 0.04 -1.05 -0.16 0.00 1.00 0.00 0.00 64.86 64.69 1b4f h ILE 63 Cb 0.02 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1b4f h ILE 63 CO -0.04 0.38 -0.46 -0.07 0.00 0.00 0.00 178.15 177.96 1b4f h LEU 64 N 0.89 0.84 -0.92 1.44 3.38 -0.59 -0.41 115.31 119.94 1b4f h LEU 64 Ca 0.17 -0.41 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 1b4f h LEU 64 Cb 0.48 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1b4f h LEU 64 CO 0.02 1.17 -0.33 0.78 0.09 0.00 0.00 178.44 180.17 1b4f h ASN 65 N 0.62 0.40 -0.33 -0.43 -0.26 -0.85 0.12 115.58 114.85 1b4f h ASN 65 Ca 0.04 -0.15 -0.08 0.00 -0.56 0.00 0.00 56.30 55.55 1b4f h ASN 65 Cb 1.03 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 38.17 1b4f h ASN 65 CO 0.10 0.71 -0.09 -1.28 -1.06 0.00 0.00 177.43 175.81 1b4f h SER 66 N 0.33 0.65 -0.66 5.81 0.87 -1.02 -0.51 113.55 119.03 1b4f h SER 66 Ca 0.04 -0.37 -0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1b4f h SER 66 Cb 0.74 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.49 1b4f h SER 66 CO 0.06 0.87 0.41 0.40 -0.53 0.00 0.00 176.83 178.04 1b4f h ILE 67 N 0.42 1.18 -0.30 2.23 2.04 -0.79 -0.01 117.51 122.28 1b4f h ILE 67 Ca 0.08 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1b4f h ILE 67 Cb 0.59 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1b4f h ILE 67 CO 0.03 0.19 0.09 -0.61 0.00 0.00 0.00 178.15 177.85 1b4f h GLN 68 N 0.91 0.47 -0.72 2.37 4.15 -0.55 -1.17 115.11 120.56 1b4f h GLN 68 Ca 0.24 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 1b4f h GLN 68 Cb -0.06 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.53 1b4f h GLN 68 CO -0.05 0.52 0.40 0.28 -1.93 0.00 0.00 178.83 178.05 1b4f h VAL 69 N 0.32 1.22 -0.67 2.39 2.07 -0.62 -1.04 116.25 119.92 1b4f h VAL 69 Ca 0.10 -0.52 0.08 0.00 0.82 0.00 0.00 66.70 67.17 1b4f h VAL 69 Cb 0.25 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.22 1b4f h VAL 69 CO -0.00 0.23 0.34 -0.03 0.02 0.00 0.00 177.57 178.13 1b4f h MET 70 N 0.98 0.59 -0.56 1.57 1.85 -0.55 -0.88 114.93 117.94 1b4f h MET 70 Ca 0.25 -0.04 -0.05 0.00 -0.61 0.00 0.00 59.70 59.26 1b4f h MET 70 Cb 0.02 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 31.89 1b4f h MET 70 CO -0.04 0.39 0.15 0.00 -0.40 0.00 0.00 176.91 177.01 1b4f h ARG 71 N 0.61 0.88 -0.80 0.39 3.08 -0.76 0.27 114.38 118.06 1b4f h ARG 71 Ca 0.32 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 60.17 1b4f h ARG 71 Cb 0.27 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 1b4f h ARG 71 CO -0.23 0.82 0.53 0.00 -1.07 0.00 0.00 179.97 180.02 1b4f h ALA 72 N 1.03 1.43 -0.20 0.04 0.00 -0.69 0.24 119.26 121.11 1b4f h ALA 72 Ca 0.18 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1b4f h ALA 72 Cb 0.32 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1b4f h ALA 72 CO -0.00 0.53 -0.39 0.37 0.00 0.00 0.00 179.25 179.76 1b4f h GLN 73 N 1.08 0.61 -0.36 0.00 4.15 -0.68 -2.78 115.11 117.14 1b4f h GLN 73 Ca 0.29 -0.40 -0.06 0.00 0.77 0.00 0.00 58.65 59.26 1b4f h GLN 73 Cb -0.12 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 1b4f h GLN 73 CO -0.06 1.01 -0.03 0.52 -1.93 0.00 0.00 178.83 178.34 1b4f h MET 74 N 0.29 0.57 0.00 1.69 2.86 0.21 -2.79 114.93 117.76 1b4f h MET 74 Ca 0.01 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1b4f h MET 74 Cb 0.99 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.58 1b4f h MET 74 CO 0.09 0.62 -0.00 -0.91 1.06 0.00 0.00 176.91 177.76 1b4f h ASN 75 N 0.54 0.00 0.06 1.22 2.35 -0.45 -1.75 115.58 117.55 1b4f h ASN 75 Ca 0.11 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.65 1b4f h ASN 75 Cb 0.40 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1b4f h ASN 75 CO 0.02 0.00 -1.07 -0.61 -1.65 0.00 0.00 177.43 174.12 1b4f h GLN 76 N 0.00 0.13 -0.10 0.81 4.15 -1.24 -3.09 115.11 115.78 1b4f h GLN 76 Ca -0.00 -0.22 0.03 0.00 0.77 0.00 0.00 58.65 59.23 1b4f h GLN 76 Cb 0.49 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.26 1b4f h GLN 76 CO 0.00 1.11 0.08 0.82 -1.93 0.00 0.00 178.83 178.91 1b4f h ILE 77 N -0.64 0.77 0.00 2.39 2.04 -1.45 0.11 117.51 120.73 1b4f h ILE 77 Ca -0.25 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.51 1b4f h ILE 77 Cb 1.48 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 1b4f h ILE 77 CO -0.02 0.00 -0.46 1.56 0.00 0.00 0.00 178.15 179.23 1b4f h GLN 78 N 0.00 0.00 0.00 2.37 4.20 -1.39 -3.52 115.11 116.77 1b4f h GLN 78 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1b4f h GLN 78 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1b4f h GLN 78 CO -0.00 0.46 0.00 -1.13 -0.67 0.00 0.00 178.83 177.48