#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f1f h VAL 3 N 0.00 1.63 -0.23 5.18 2.07 -1.94 -1.22 116.25 121.75 1f1f h VAL 3 Ca 0.00 -3.28 -0.15 0.00 0.82 0.00 0.00 66.70 64.09 1f1f h VAL 3 Cb 0.00 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 1f1f h VAL 3 CO 0.00 0.95 -0.46 0.00 0.02 0.00 0.00 177.57 178.07 1f1f h ALA 4 N 0.83 0.77 -0.24 1.67 0.00 -2.00 -1.55 119.26 118.74 1f1f h ALA 4 Ca -0.06 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 1f1f h ALA 4 Cb 1.85 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1f1f h ALA 4 CO 0.16 0.66 -0.17 0.00 0.00 0.00 0.00 179.25 179.90 1f1f h ALA 5 N 1.02 0.35 -0.28 0.00 0.00 -1.91 -2.95 119.26 115.49 1f1f h ALA 5 Ca 0.03 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.63 1f1f h ALA 5 Cb 0.99 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1f1f h ALA 5 CO 0.09 0.26 0.19 0.78 0.00 0.00 0.00 179.25 180.57 1f1f h GLY 6 N 0.26 0.28 1.01 0.00 0.00 -1.05 -1.58 103.07 102.00 1f1f h GLY 6 Ca 0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 1f1f h GLY 6 CO 0.05 0.09 0.28 0.00 0.00 0.00 0.00 176.54 176.95 1f1f h ALA 7 N 1.84 0.88 -0.48 3.60 0.00 -1.11 -0.57 119.26 123.42 1f1f h ALA 7 Ca 0.12 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1f1f h ALA 7 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1f1f h ALA 7 CO -0.02 0.49 -0.21 0.77 0.00 0.00 0.00 179.25 180.27 1f1f h SER 8 N 0.96 1.02 -0.33 0.00 0.02 -1.26 -1.73 113.55 112.22 1f1f h SER 8 Ca 0.23 -0.40 -0.07 0.00 -0.84 0.00 0.00 61.79 60.71 1f1f h SER 8 Cb 0.19 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1f1f h SER 8 CO -0.02 1.18 -0.03 0.58 -1.14 0.00 0.00 176.83 177.40 1f1f h VAL 9 N 0.84 1.24 -0.05 2.27 2.07 -1.21 -2.23 116.25 119.18 1f1f h VAL 9 Ca 0.11 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1f1f h VAL 9 Cb 0.79 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1f1f h VAL 9 CO 0.07 0.35 -0.00 0.15 0.02 0.00 0.00 177.57 178.15 1f1f h PHE 10 N 0.67 0.10 0.00 1.57 3.04 -0.81 -1.26 116.94 120.24 1f1f h PHE 10 Ca 0.13 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.06 1f1f h PHE 10 Cb 0.46 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.94 1f1f h PHE 10 CO 0.02 0.38 0.00 0.66 -2.02 0.00 0.00 178.31 177.35 1f1f h SER 11 N -0.21 0.00 1.09 0.41 4.64 -1.28 1.03 113.55 119.23 1f1f h SER 11 Ca 0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1f1f h SER 11 Cb 0.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1f1f h SER 11 CO 0.00 0.00 -0.92 0.00 -0.87 0.00 0.00 176.83 175.04 1f1f h ALA 12 N 2.11 0.57 0.00 5.18 0.00 -1.34 -3.39 119.26 122.39 1f1f h ALA 12 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1f1f h ALA 12 Cb 0.67 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1f1f h ALA 12 CO 0.00 0.08 -0.07 0.09 0.00 0.00 0.00 179.25 179.35 1f1f n ASN 13 N -2.75 0.34 0.00 0.00 4.13 -0.48 -4.95 115.26 111.55 1f1f n ASN 13 Ca -0.00 -0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.04 1f1f n ASN 13 Cb 0.57 0.50 0.00 0.00 -1.54 0.00 0.00 39.78 39.31 1f1f n ASN 13 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1f1f h ALA 15 N 0.00 2.95 -0.81 0.00 0.00 -1.32 0.12 119.26 120.20 1f1f h ALA 15 Ca 0.00 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.02 1f1f h ALA 15 Cb 0.76 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 1f1f h ALA 15 CO 0.00 -1.25 0.53 0.00 0.00 0.00 0.00 179.25 178.54 1f1f h ALA 16 N 1.49 2.01 0.00 0.00 0.00 -1.86 -2.15 119.26 118.75 1f1f h ALA 16 Ca 0.48 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.34 1f1f h ALA 16 Cb 1.93 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1f1f h ALA 16 CO -0.01 -0.23 -1.26 0.00 0.00 0.00 0.00 179.25 177.76 1f1f n HIS 18 N -2.01 2.17 -1.65 0.00 8.25 0.30 -1.90 115.22 120.37 1f1f n HIS 18 Ca -0.05 -2.14 -0.47 0.00 -0.26 0.00 0.00 57.72 54.81 1f1f n HIS 18 Cb 0.49 -0.67 -0.04 0.00 1.12 0.00 0.00 29.99 30.89 1f1f n HIS 18 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1f1f n MET 19 N -0.95 1.93 -1.73 -0.41 1.56 -0.81 -0.75 117.12 115.97 1f1f n MET 19 Ca 0.44 0.69 -0.18 0.00 -0.27 0.00 0.00 57.70 58.39 1f1f n MET 19 Cb 0.95 -2.40 -0.06 0.00 2.15 0.00 0.00 33.22 33.86 1f1f n MET 19 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1f1f n GLY 20 N 2.87 1.23 2.23 -5.12 0.00 -1.26 -2.44 105.19 102.69 1f1f n GLY 20 Ca 0.15 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1f1f n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f1f n GLY 21 N -0.83 0.50 0.00 -0.02 0.00 0.07 -4.95 105.19 99.95 1f1f n GLY 21 Ca -0.19 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1f1f n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f1f n ARG 22 N -2.29 3.36 -3.28 1.61 1.74 -1.02 -1.29 116.66 115.50 1f1f n ARG 22 Ca -0.11 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.82 1f1f n ARG 22 Cb 0.46 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.84 1f1f n ARG 22 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1f1f s ASN 23 N -0.46 0.65 0.44 0.55 3.84 -1.26 -4.27 114.94 114.43 1f1f s ASN 23 Ca 0.00 -1.76 0.21 0.00 0.21 0.00 0.00 52.86 51.52 1f1f s ASN 23 Cb 0.00 0.70 1.17 0.00 -0.55 0.00 0.00 41.25 42.57 1f1f s ASN 23 CO 0.00 -0.21 1.83 0.58 -2.79 0.00 0.00 177.10 176.51 1f1f h VAL 24 N 4.96 0.61 0.00 -5.21 2.07 -1.75 -2.95 116.25 113.97 1f1f h VAL 24 Ca 0.08 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1f1f h VAL 24 Cb 1.05 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1f1f h VAL 24 CO 0.19 0.06 -0.07 0.40 0.02 0.00 0.00 177.57 178.17 1f1f h ILE 25 N 0.33 0.40 -3.54 4.57 5.03 -1.95 -3.42 117.51 118.93 1f1f h ILE 25 Ca 0.50 -1.32 -0.70 0.00 -0.12 0.00 0.00 64.86 63.23 1f1f h ILE 25 Cb 1.39 0.78 -0.35 0.00 -3.03 0.00 0.00 36.82 35.61 1f1f h ILE 25 CO -0.18 0.14 -0.37 -0.69 -0.68 0.00 0.00 178.15 176.37 1f1f s VAL 26 N -1.76 3.72 0.27 1.67 1.01 -1.15 -5.00 120.40 119.16 1f1f s VAL 26 Ca -0.06 -2.84 -0.00 0.00 0.00 0.00 0.00 61.98 59.08 1f1f s VAL 26 Cb -0.00 -3.43 0.38 0.00 0.00 0.00 0.00 36.38 33.33 1f1f s VAL 26 CO 0.18 -0.86 1.39 0.00 0.00 0.00 0.00 175.10 175.81 1f1f n ALA 27 N 3.63 0.40 1.22 5.51 0.00 -1.13 -1.00 120.51 129.14 1f1f n ALA 27 Ca 0.07 0.96 0.03 0.00 0.00 0.00 0.00 53.44 54.50 1f1f n ALA 27 Cb 0.38 -0.67 0.10 0.00 0.00 0.00 0.00 19.45 19.26 1f1f n ALA 27 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1f1f n ASN 28 N -5.33 1.28 -2.72 0.00 6.94 -1.26 -4.25 115.26 109.92 1f1f n ASN 28 Ca 0.19 -2.04 -0.31 0.00 -0.02 0.00 0.00 54.58 52.41 1f1f n ASN 28 Cb 0.63 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.86 1f1f n ASN 28 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1f1f n LYS 29 N 0.12 3.39 -1.31 -3.83 4.76 -0.17 -5.00 118.16 116.12 1f1f n LYS 29 Ca 0.07 -4.38 -0.30 0.00 -2.87 0.00 0.00 58.31 50.84 1f1f n LYS 29 Cb 0.22 -2.27 0.21 0.00 -1.84 0.00 0.00 35.03 31.35 1f1f n LYS 29 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1f1f s THR 30 N -5.19 1.78 -0.55 -0.18 -4.23 -1.26 -4.65 115.64 101.36 1f1f s THR 30 Ca 0.48 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 61.00 1f1f s THR 30 Cb 0.37 -2.62 0.51 0.00 1.34 0.00 0.00 72.50 72.10 1f1f s THR 30 CO -0.22 0.00 1.88 0.18 -0.54 0.00 0.00 174.62 175.92 1f1f n LEU 31 N -4.37 6.95 -4.89 4.79 4.77 -0.41 -4.29 117.00 119.55 1f1f n LEU 31 Ca 0.11 -4.15 -0.29 0.00 -0.03 0.00 0.00 56.01 51.66 1f1f n LEU 31 Cb 0.59 -0.86 -0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1f1f n LEU 31 CO 0.49 1.43 0.51 -0.94 -1.33 0.00 0.00 177.39 177.55 1f1f s SER 32 N -1.95 6.28 0.15 -1.43 1.04 -1.26 -4.38 113.70 112.16 1f1f s SER 32 Ca 0.60 1.07 -0.19 0.00 0.48 0.00 0.00 55.95 57.92 1f1f s SER 32 Cb 0.49 -2.31 0.05 0.00 0.10 0.00 0.00 66.02 64.34 1f1f s SER 32 CO 0.02 -0.63 1.67 0.50 0.98 0.00 0.00 173.24 175.78 1f1f h LYS 33 N 0.19 -0.07 0.12 4.02 3.64 -1.94 -0.01 116.57 122.52 1f1f h LYS 33 Ca -0.46 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.93 1f1f h LYS 33 Cb 1.20 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1f1f h LYS 33 CO 0.62 -0.05 -0.16 0.77 -2.27 0.00 0.00 179.45 178.36 1f1f h SER 34 N -0.07 -0.44 -0.39 4.20 0.02 -1.93 -0.62 113.55 114.32 1f1f h SER 34 Ca 0.16 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 1f1f h SER 34 Cb 0.31 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1f1f h SER 34 CO -0.36 -0.24 0.22 0.44 -1.14 0.00 0.00 176.83 175.75 1f1f h ASP 35 N -0.33 0.48 -0.51 3.07 5.19 -1.79 0.44 116.42 122.96 1f1f h ASP 35 Ca 0.01 -0.08 0.03 0.00 -0.62 0.00 0.00 57.03 56.37 1f1f h ASP 35 Cb 0.34 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.70 1f1f h ASP 35 CO -0.07 0.42 0.34 -0.07 -3.12 0.00 0.00 179.24 176.74 1f1f h LEU 36 N 0.50 0.52 0.06 1.55 4.07 -0.88 0.90 115.31 122.03 1f1f h LEU 36 Ca 0.14 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.09 1f1f h LEU 36 Cb 0.05 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.66 1f1f h LEU 36 CO -0.02 0.37 -0.03 0.00 -1.08 0.00 0.00 178.44 177.68 1f1f h ALA 37 N 1.70 -0.08 -0.71 1.53 0.00 -0.22 -0.74 119.26 120.74 1f1f h ALA 37 Ca 0.20 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1f1f h ALA 37 Cb 0.06 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1f1f h ALA 37 CO -0.05 -0.19 0.42 0.87 0.00 0.00 0.00 179.25 180.30 1f1f h LYS 38 N -0.78 0.77 0.00 0.00 1.57 0.21 -3.34 116.57 115.00 1f1f h LYS 38 Ca -0.01 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1f1f h LYS 38 Cb 0.63 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1f1f h LYS 38 CO 0.01 0.51 -1.72 0.66 -0.57 0.00 0.00 179.45 178.34 1f1f n TYR 39 N -4.71 0.00 -2.82 -1.35 4.02 0.28 -4.94 117.16 107.63 1f1f n TYR 39 Ca 0.09 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.55 1f1f n TYR 39 Cb 0.14 -0.39 -0.04 0.00 -0.02 0.00 0.00 39.34 39.03 1f1f n TYR 39 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1f1f s LEU 40 N -4.17 4.02 0.26 7.72 1.43 -0.28 -5.01 118.68 122.64 1f1f s LEU 40 Ca -0.06 0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 52.81 1f1f s LEU 40 Cb 0.09 -3.16 -0.14 0.00 0.03 0.00 0.00 46.19 43.01 1f1f s LEU 40 CO 0.62 -1.06 1.23 0.29 0.23 0.00 0.00 176.35 177.66 1f1f n LYS 41 N 7.19 1.68 -0.36 1.70 4.76 -1.26 -1.28 118.16 130.58 1f1f n LYS 41 Ca 0.06 0.60 0.00 0.00 -2.87 0.00 0.00 58.31 56.09 1f1f n LYS 41 Cb 0.48 -2.13 0.00 0.00 -1.84 0.00 0.00 35.03 31.54 1f1f n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1f1f n GLY 42 N 1.64 0.92 0.26 0.72 0.00 -1.26 -4.73 105.19 102.75 1f1f n GLY 42 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.17 1f1f n GLY 42 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1f1f h PHE 43 N 0.00 0.34 0.00 1.61 3.57 -1.44 0.59 116.94 121.62 1f1f h PHE 43 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1f1f h PHE 43 Cb 0.00 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.70 1f1f h PHE 43 CO 0.00 -0.02 0.00 -0.40 -2.23 0.00 0.00 178.31 175.66 1f1f n ASP 44 N -5.09 0.46 -0.00 0.41 5.75 -1.26 -2.13 116.55 114.69 1f1f n ASP 44 Ca 0.13 -1.60 -0.00 0.00 -0.01 0.00 0.00 54.79 53.31 1f1f n ASP 44 Cb 0.41 -0.23 -0.00 0.00 -1.03 0.00 0.00 41.12 40.27 1f1f n ASP 44 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1f1f n ASP 45 N -0.15 1.55 -3.20 -1.12 8.00 0.19 -4.99 116.55 116.83 1f1f n ASP 45 Ca 0.00 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.51 1f1f n ASP 45 Cb 0.12 -0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.20 1f1f n ASP 45 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1f1f s ASP 46 N -4.62 -1.44 0.16 -2.24 -1.08 -0.23 -5.07 116.67 102.15 1f1f s ASP 46 Ca -0.00 -0.51 -0.26 0.00 -0.52 0.00 0.00 52.55 51.26 1f1f s ASP 46 Cb 0.00 1.92 0.01 0.00 -1.46 0.00 0.00 42.92 43.40 1f1f s ASP 46 CO 0.00 -0.22 1.58 0.00 0.52 0.00 0.00 175.17 177.06 1f1f h ALA 47 N 7.33 -0.37 -0.47 3.66 0.00 -1.64 -0.39 119.26 127.37 1f1f h ALA 47 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1f1f h ALA 47 Cb 1.18 0.84 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 1f1f h ALA 47 CO 0.12 -0.83 0.30 0.28 0.00 0.00 0.00 179.25 179.12 1f1f h VAL 48 N -0.32 1.14 -0.98 0.00 2.07 -1.89 -1.81 116.25 114.46 1f1f h VAL 48 Ca 0.14 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1f1f h VAL 48 Cb 0.58 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1f1f h VAL 48 CO -0.55 0.14 0.62 0.00 0.02 0.00 0.00 177.57 177.80 1f1f h ALA 49 N 1.15 1.24 -0.45 1.67 0.00 -1.84 0.20 119.26 121.23 1f1f h ALA 49 Ca 0.17 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1f1f h ALA 49 Cb -0.03 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.34 1f1f h ALA 49 CO -0.03 0.66 0.05 0.00 0.00 0.00 0.00 179.25 179.92 1f1f h ALA 50 N 1.34 0.60 -0.33 0.00 0.00 -0.77 -1.45 119.26 118.66 1f1f h ALA 50 Ca 0.36 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1f1f h ALA 50 Cb -0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1f1f h ALA 50 CO -0.07 0.35 -0.16 0.28 0.00 0.00 0.00 179.25 179.65 1f1f h VAL 51 N 0.62 1.29 -0.15 0.00 2.07 -1.00 -2.65 116.25 116.43 1f1f h VAL 51 Ca 0.13 -1.27 0.03 0.00 0.82 0.00 0.00 66.70 66.42 1f1f h VAL 51 Cb 0.43 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1f1f h VAL 51 CO 0.01 0.41 0.10 0.00 0.02 0.00 0.00 177.57 178.12 1f1f h ALA 52 N 0.77 2.07 0.03 1.67 0.00 -0.50 -1.36 119.26 121.95 1f1f h ALA 52 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1f1f h ALA 52 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1f1f h ALA 52 CO 0.05 -0.11 -0.02 -0.92 0.00 0.00 0.00 179.25 178.26 1f1f h TYR 53 N 0.05 -0.04 -0.05 0.00 3.20 -0.93 -1.81 116.97 117.40 1f1f h TYR 53 Ca 0.07 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 1f1f h TYR 53 Cb 0.20 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1f1f h TYR 53 CO -0.00 0.47 -0.13 0.37 -1.64 0.00 0.00 178.16 177.23 1f1f h GLN 54 N -0.58 0.07 -0.13 1.82 5.75 -1.17 -1.70 115.11 119.16 1f1f h GLN 54 Ca -0.00 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.41 1f1f h GLN 54 Cb 0.53 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.07 1f1f h GLN 54 CO 0.01 0.21 -0.19 0.28 -2.65 0.00 0.00 178.83 176.49 1f1f h VAL 55 N 0.07 1.36 -0.54 2.39 2.07 -1.22 1.21 116.25 121.59 1f1f h VAL 55 Ca 0.01 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.09 1f1f h VAL 55 Cb 0.28 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 1f1f h VAL 55 CO 0.02 0.42 0.21 0.74 0.02 0.00 0.00 177.57 178.97 1f1f h THR 56 N -0.03 1.22 0.00 2.57 2.02 -1.00 -1.76 112.91 115.93 1f1f h THR 56 Ca 0.01 -0.70 -0.36 0.00 0.77 0.00 0.00 66.41 66.13 1f1f h THR 56 Cb 0.76 0.67 -0.06 0.00 -1.74 0.00 0.00 68.15 67.78 1f1f h THR 56 CO 0.04 0.27 -2.33 0.59 0.37 0.00 0.00 175.52 174.46 1f1f n ASN 57 N -4.51 2.09 -0.59 4.18 3.02 -0.67 -2.57 115.26 116.21 1f1f n ASN 57 Ca 0.02 -0.02 0.02 0.00 -0.03 0.00 0.00 54.58 54.58 1f1f n ASN 57 Cb 0.17 -0.46 -0.01 0.00 -0.61 0.00 0.00 39.78 38.87 1f1f n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f1f n GLY 58 N 2.16 -1.60 3.59 7.41 0.00 0.42 -3.63 105.19 113.53 1f1f n GLY 58 Ca -0.43 -1.22 -0.06 0.00 0.00 0.00 0.00 46.02 44.31 1f1f n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f1f s LYS 59 N -0.37 0.36 2.52 1.61 -2.85 -0.09 -4.91 119.74 116.02 1f1f s LYS 59 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 55.97 54.92 1f1f s LYS 59 Cb 0.00 0.17 0.00 0.00 -2.06 0.00 0.00 37.83 35.94 1f1f s LYS 59 CO 0.00 -0.14 0.00 0.09 0.10 0.00 0.00 175.35 175.40 1f1f n ASN 60 N 0.20 0.00 0.00 0.03 3.02 -1.26 0.74 115.26 117.99 1f1f n ASN 60 Ca -0.03 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.64 1f1f n ASN 60 Cb 0.59 0.00 0.58 0.00 -0.61 0.00 0.00 39.78 40.33 1f1f n ASN 60 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f1f n ALA 61 N 10.18 2.20 -2.57 5.41 0.00 -1.26 -4.63 120.51 129.83 1f1f n ALA 61 Ca 0.00 -0.10 -0.43 0.00 0.00 0.00 0.00 53.44 52.91 1f1f n ALA 61 Cb 0.00 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.00 1f1f n ALA 61 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1f1f s MET 62 N -2.80 3.61 0.57 0.00 -2.45 0.23 -5.04 119.30 113.40 1f1f s MET 62 Ca 0.17 0.16 -0.16 0.00 -1.25 0.00 0.00 55.69 54.61 1f1f s MET 62 Cb 0.17 -3.87 -0.05 0.00 1.25 0.00 0.00 34.83 32.33 1f1f s MET 62 CO 0.42 -0.99 1.04 -1.25 1.05 0.00 0.00 175.02 175.29 1f1f s PRO 63 N 3.26 3.50 0.34 4.11 0.04 -1.26 -0.91 135.00 144.08 1f1f s PRO 63 Ca 0.32 1.16 -0.08 0.00 0.04 0.00 0.00 61.00 62.43 1f1f s PRO 63 Cb -0.12 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.29 1f1f s PRO 63 CO 0.20 -0.65 0.66 0.20 0.04 0.00 0.00 177.00 177.45 1f1f s GLY 64 N -2.80 1.95 0.00 0.56 0.00 -1.24 -4.49 107.32 101.31 1f1f s GLY 64 Ca 0.63 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.01 1f1f s GLY 64 CO 0.34 -0.19 0.94 0.69 0.00 0.00 0.00 173.10 174.89 1f1f n PHE 65 N -1.02 0.02 -0.33 1.90 3.01 -0.66 -4.80 117.46 115.58 1f1f n PHE 65 Ca 0.01 -0.43 0.26 0.00 1.01 0.00 0.00 57.45 58.29 1f1f n PHE 65 Cb 0.54 -0.04 0.50 0.00 -0.01 0.00 0.00 39.48 40.46 1f1f n PHE 65 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 1f1f h ASN 66 N 0.08 0.20 0.55 4.37 -1.24 -1.70 0.28 115.58 118.12 1f1f h ASN 66 Ca 0.00 0.25 -0.24 0.00 0.71 0.00 0.00 56.30 57.02 1f1f h ASN 66 Cb 0.44 0.28 -0.04 0.00 0.73 0.00 0.00 38.32 39.73 1f1f h ASN 66 CO 0.00 -0.35 -1.62 0.61 -1.29 0.00 0.00 177.43 174.78 1f1f n GLY 67 N -1.31 -1.09 0.14 1.57 0.00 -1.26 -4.47 105.19 98.77 1f1f n GLY 67 Ca 0.33 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 1f1f n GLY 67 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1f1f h ARG 68 N 0.00 0.46 -6.08 1.61 3.08 -1.44 -3.46 114.38 108.55 1f1f h ARG 68 Ca -0.24 -0.78 -0.64 0.00 0.07 0.00 0.00 59.98 58.39 1f1f h ARG 68 Cb 1.82 0.29 -0.08 0.00 0.08 0.00 0.00 29.97 32.08 1f1f h ARG 68 CO 0.06 1.37 -0.57 -0.51 -1.07 0.00 0.00 179.97 179.25 1f1f s LEU 69 N -7.42 3.97 0.56 3.04 1.02 0.83 -5.11 118.68 115.58 1f1f s LEU 69 Ca -0.12 0.09 -0.12 0.00 0.02 0.00 0.00 54.13 54.00 1f1f s LEU 69 Cb 0.05 -2.58 -0.05 0.00 0.02 0.00 0.00 46.19 43.63 1f1f s LEU 69 CO 0.90 0.19 0.97 -0.94 0.02 0.00 0.00 176.35 177.49 1f1f s SER 70 N -2.31 6.35 0.29 2.29 1.04 -1.26 -4.71 113.70 115.39 1f1f s SER 70 Ca 0.30 1.37 0.01 0.00 0.48 0.00 0.00 55.95 58.11 1f1f s SER 70 Cb -0.12 -2.44 0.55 0.00 0.10 0.00 0.00 66.02 64.11 1f1f s SER 70 CO 0.22 -0.73 1.86 -0.65 0.98 0.00 0.00 173.24 174.92 1f1f h PRO 71 N 0.16 0.98 -0.15 4.02 0.11 -1.98 -1.07 132.00 134.07 1f1f h PRO 71 Ca -0.45 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1f1f h PRO 71 Cb 1.19 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1f1f h PRO 71 CO 0.62 0.65 0.08 1.25 -0.21 0.00 0.00 178.00 180.38 1f1f h LEU 72 N 1.01 0.20 -1.65 2.35 5.85 -1.99 -0.89 115.31 120.19 1f1f h LEU 72 Ca 0.47 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 59.05 1f1f h LEU 72 Cb 0.42 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1f1f h LEU 72 CO -0.23 0.25 -0.03 1.56 -0.34 0.00 0.00 178.44 179.65 1f1f h GLN 73 N 0.13 0.18 -0.03 1.25 4.20 -1.74 -1.90 115.11 117.20 1f1f h GLN 73 Ca 0.05 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1f1f h GLN 73 Cb 0.11 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1f1f h GLN 73 CO -0.01 0.23 -0.07 0.82 -0.67 0.00 0.00 178.83 179.14 1f1f h ILE 74 N 0.18 1.45 0.00 2.54 2.04 -0.86 -1.61 117.51 121.25 1f1f h ILE 74 Ca 0.04 -1.44 -0.02 0.00 1.00 0.00 0.00 64.86 64.44 1f1f h ILE 74 Cb 0.18 2.35 -0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1f1f h ILE 74 CO 0.01 0.39 -0.11 -0.33 0.00 0.00 0.00 178.15 178.11 1f1f h GLU 75 N -0.46 0.00 -0.17 2.37 4.39 -0.97 -1.56 114.58 118.19 1f1f h GLU 75 Ca -0.00 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.52 1f1f h GLU 75 Cb 0.66 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1f1f h GLU 75 CO 0.01 0.11 -0.59 -0.44 -1.16 0.00 0.00 179.01 176.95 1f1f h ASP 76 N 0.00 0.80 0.66 1.42 3.45 -1.24 -2.03 116.42 119.49 1f1f h ASP 76 Ca -0.00 -0.60 -0.14 0.00 0.43 0.00 0.00 57.03 56.72 1f1f h ASP 76 Cb 0.19 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.71 1f1f h ASP 76 CO 0.01 1.27 -0.66 1.62 -1.57 0.00 0.00 179.24 179.91 1f1f h VAL 77 N 0.38 1.47 -0.11 -1.35 3.04 -1.02 -2.40 116.25 116.27 1f1f h VAL 77 Ca -0.03 -2.26 -0.02 0.00 -1.01 0.00 0.00 66.70 63.38 1f1f h VAL 77 Cb 1.21 2.22 -0.00 0.00 -2.01 0.00 0.00 31.29 32.71 1f1f h VAL 77 CO 0.12 0.65 0.01 0.00 -1.01 0.00 0.00 177.57 177.34 1f1f h ALA 78 N 1.34 0.15 -0.65 3.17 0.00 -1.26 -0.32 119.26 121.68 1f1f h ALA 78 Ca -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1f1f h ALA 78 Cb 1.17 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1f1f h ALA 78 CO 0.09 -0.17 0.27 0.00 0.00 0.00 0.00 179.25 179.43 1f1f h ALA 79 N 0.76 1.25 -0.35 0.00 0.00 -1.33 -0.30 119.26 119.28 1f1f h ALA 79 Ca 0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1f1f h ALA 79 Cb 0.33 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1f1f h ALA 79 CO 0.00 0.56 0.11 -0.92 0.00 0.00 0.00 179.25 179.00 1f1f h TYR 80 N 0.94 0.57 -0.26 0.00 3.20 -1.23 0.86 116.97 121.04 1f1f h TYR 80 Ca 0.22 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 1f1f h TYR 80 Cb 0.17 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1f1f h TYR 80 CO 0.01 0.55 0.09 0.28 -1.64 0.00 0.00 178.16 177.46 1f1f h VAL 81 N 0.41 1.18 -0.77 1.81 2.07 -0.68 0.26 116.25 120.55 1f1f h VAL 81 Ca 0.11 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1f1f h VAL 81 Cb 0.26 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1f1f h VAL 81 CO -0.00 0.19 0.38 0.58 0.02 0.00 0.00 177.57 178.74 1f1f h VAL 82 N 0.26 1.24 -0.45 2.57 2.07 -0.98 0.96 116.25 121.92 1f1f h VAL 82 Ca 0.09 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.96 1f1f h VAL 82 Cb 0.21 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1f1f h VAL 82 CO -0.01 0.28 0.30 -0.78 0.02 0.00 0.00 177.57 177.39 1f1f h ASP 83 N 1.08 0.52 -0.16 0.57 -0.00 -0.46 -1.26 116.42 116.70 1f1f h ASP 83 Ca 0.27 -0.01 -0.13 0.00 -0.00 0.00 0.00 57.03 57.15 1f1f h ASP 83 Cb 0.09 -0.13 -0.01 0.00 -0.00 0.00 0.00 39.33 39.29 1f1f h ASP 83 CO -0.04 0.37 -0.34 1.56 -0.00 0.00 0.00 179.24 180.80 1f1f h GLN 84 N 0.61 0.67 0.08 0.28 1.08 -0.55 -2.25 115.11 115.04 1f1f h GLN 84 Ca 0.17 -0.32 -0.00 0.00 -1.45 0.00 0.00 58.65 57.05 1f1f h GLN 84 Cb -0.07 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1f1f h GLN 84 CO -0.04 0.92 -0.04 0.00 -0.95 0.00 0.00 178.83 178.72 1f1f h ALA 85 N 1.05 -0.11 0.00 3.87 0.00 -0.58 0.29 119.26 123.79 1f1f h ALA 85 Ca 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1f1f h ALA 85 Cb 0.85 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1f1f h ALA 85 CO 0.07 -0.46 -0.03 0.93 0.00 0.00 0.00 179.25 179.76 1f1f h GLU 86 N -0.32 0.00 0.00 0.00 4.39 -1.20 -1.77 114.58 115.68 1f1f h GLU 86 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1f1f h GLU 86 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1f1f h GLU 86 CO 0.02 0.03 -0.64 1.63 -1.16 0.00 0.00 179.01 178.89 1f1f n LYS 87 N -4.04 0.04 -0.33 2.33 5.02 -0.85 -4.98 118.16 115.35 1f1f n LYS 87 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1f1f n LYS 87 Cb 0.12 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1f1f n LYS 87 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1f1f n GLY 88 N 1.48 0.74 3.90 0.72 0.00 -0.08 -5.07 105.19 106.89 1f1f n GLY 88 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1f1f n GLY 88 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11