#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f0m n THR 9 N 0.00 3.89 1.60 -0.72 -2.24 -1.26 -4.58 114.28 110.97 1f0m n THR 9 Ca 0.00 -3.70 0.04 0.00 -2.27 0.00 0.00 64.05 58.12 1f0m n THR 9 Cb 0.00 -1.59 0.15 0.00 -2.10 0.00 0.00 70.33 66.78 1f0m n THR 9 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1f0m n SER 10 N 0.64 0.70 -4.02 3.42 7.64 -1.26 -4.55 113.62 116.19 1f0m n SER 10 Ca 0.52 -1.90 -0.31 0.00 1.01 0.00 0.00 58.87 58.19 1f0m n SER 10 Cb 0.41 -0.08 -0.16 0.00 -1.01 0.00 0.00 64.21 63.38 1f0m n SER 10 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1f0m s PHE 11 N -1.84 2.54 -0.46 1.43 0.40 -1.26 -4.92 117.98 113.86 1f0m s PHE 11 Ca 0.13 -1.67 0.24 0.00 -0.60 0.00 0.00 56.93 55.03 1f0m s PHE 11 Cb 0.07 -1.70 0.99 0.00 0.51 0.00 0.00 43.02 42.89 1f0m s PHE 11 CO 0.10 -0.76 1.72 0.09 0.70 0.00 0.00 175.22 177.07 1f0m n ASN 12 N 4.65 0.70 -4.15 1.36 3.02 -1.26 -4.81 115.26 114.77 1f0m n ASN 12 Ca -0.15 0.67 -0.10 0.00 -0.03 0.00 0.00 54.58 54.97 1f0m n ASN 12 Cb 0.46 -0.82 -0.10 0.00 -0.61 0.00 0.00 39.78 38.72 1f0m n ASN 12 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1f0m s THR 13 N -3.33 0.61 0.19 3.41 -4.23 -1.26 -5.02 115.64 106.02 1f0m s THR 13 Ca 0.04 -1.90 -0.11 0.00 -1.18 0.00 0.00 61.69 58.54 1f0m s THR 13 Cb 0.09 -1.63 0.12 0.00 1.34 0.00 0.00 72.50 72.41 1f0m s THR 13 CO 0.40 -0.89 1.82 0.58 -0.54 0.00 0.00 174.62 176.00 1f0m h VAL 14 N 3.03 1.20 -0.95 2.29 2.07 -1.87 -2.33 116.25 119.68 1f0m h VAL 14 Ca -0.35 -0.46 0.07 0.00 0.82 0.00 0.00 66.70 66.78 1f0m h VAL 14 Cb 1.16 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 1f0m h VAL 14 CO 0.64 0.21 0.62 0.44 0.02 0.00 0.00 177.57 179.50 1f0m h ASP 15 N 0.91 0.96 0.09 0.57 3.45 -1.95 0.13 116.42 120.59 1f0m h ASP 15 Ca 0.24 0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.70 1f0m h ASP 15 Cb -0.00 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 38.57 1f0m h ASP 15 CO -0.04 0.61 -0.04 -0.33 -1.57 0.00 0.00 179.24 177.86 1f0m h GLU 16 N 1.09 -0.12 -0.38 3.56 5.08 -1.90 -0.95 114.58 120.97 1f0m h GLU 16 Ca 0.42 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.84 1f0m h GLU 16 Cb 0.21 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 1f0m h GLU 16 CO -0.17 0.05 0.07 2.35 -1.00 0.00 0.00 179.01 180.31 1f0m h TRP 17 N -0.26 0.12 -0.65 4.33 7.01 -0.88 1.01 115.95 126.63 1f0m h TRP 17 Ca -0.01 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.02 1f0m h TRP 17 Cb 0.22 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.25 1f0m h TRP 17 CO -0.03 0.01 0.43 -0.07 -2.79 0.00 0.00 178.44 176.00 1f0m h LEU 18 N 0.19 0.73 -0.24 0.65 3.38 -0.87 -1.40 115.31 117.76 1f0m h LEU 18 Ca 0.18 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1f0m h LEU 18 Cb 0.21 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1f0m h LEU 18 CO -0.24 0.53 -0.05 -0.08 0.09 0.00 0.00 178.44 178.69 1f0m h GLU 19 N 0.86 0.47 -0.99 1.13 4.57 0.43 1.39 114.58 122.44 1f0m h GLU 19 Ca 0.24 -0.17 0.07 0.00 -1.18 0.00 0.00 59.36 58.32 1f0m h GLU 19 Cb -0.07 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.43 1f0m h GLU 19 CO -0.06 0.69 0.64 0.00 -1.18 0.00 0.00 179.01 179.10 1f0m h ALA 20 N 0.77 1.44 -0.37 2.92 0.00 0.20 0.12 119.26 124.33 1f0m h ALA 20 Ca 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1f0m h ALA 20 Cb 0.51 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1f0m h ALA 20 CO 0.02 0.39 0.04 0.44 0.00 0.00 0.00 179.25 180.15 1f0m n ILE 21 N -4.51 1.74 -1.95 0.00 -5.35 -0.63 -4.89 119.36 103.77 1f0m n ILE 21 Ca 0.16 -0.88 -0.18 0.00 -0.27 0.00 0.00 62.75 61.58 1f0m n ILE 21 Cb 0.21 -0.40 -0.04 0.00 -1.74 0.00 0.00 39.64 37.67 1f0m n ILE 21 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1f0m n LYS 22 N 0.29 -1.62 -0.61 6.28 5.02 0.40 -4.84 118.16 123.08 1f0m n LYS 22 Ca 0.19 0.98 0.06 0.00 -2.02 0.00 0.00 58.31 57.51 1f0m n LYS 22 Cb 0.87 -5.46 0.29 0.00 -0.02 0.00 0.00 35.03 30.70 1f0m n LYS 22 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1f0m n MET 23 N -2.56 3.27 -0.25 1.97 2.81 0.47 -4.72 117.12 118.10 1f0m n MET 23 Ca -0.20 -2.96 0.32 0.00 -1.81 0.00 0.00 57.70 53.06 1f0m n MET 23 Cb 0.63 -1.96 0.74 0.00 -0.71 0.00 0.00 33.22 31.92 1f0m n MET 23 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1f0m h GLY 24 N 2.21 0.00 1.42 3.03 0.00 -1.62 -1.30 103.07 106.80 1f0m h GLY 24 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1f0m h GLY 24 CO 0.33 0.00 0.22 0.61 0.00 0.00 0.00 176.54 177.70 1f0m n GLN 25 N -4.22 0.10 0.00 4.80 0.00 -1.26 -1.34 117.38 115.46 1f0m n GLN 25 Ca 0.22 0.59 0.10 0.00 0.00 0.00 0.00 57.00 57.90 1f0m n GLN 25 Cb 1.11 -2.05 -0.10 0.00 0.00 0.00 0.00 30.24 29.20 1f0m n GLN 25 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1f0m n TYR 26 N -2.10 0.00 -0.28 2.61 4.02 -0.49 -4.55 117.16 116.37 1f0m n TYR 26 Ca -0.01 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.94 1f0m n TYR 26 Cb 0.24 0.00 0.15 0.00 -0.02 0.00 0.00 39.34 39.71 1f0m n TYR 26 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1f0m h LYS 27 N 0.27 0.05 -0.52 -0.72 1.57 -1.39 0.52 116.57 116.34 1f0m h LYS 27 Ca 0.00 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 1f0m h LYS 27 Cb 0.51 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.74 1f0m h LYS 27 CO 0.00 0.03 0.11 1.49 -0.57 0.00 0.00 179.45 180.51 1f0m h GLU 28 N 0.05 0.24 -0.04 3.15 4.81 -1.80 0.08 114.58 121.07 1f0m h GLU 28 Ca 0.43 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.64 1f0m h GLU 28 Cb 0.75 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 1f0m h GLU 28 CO -0.78 0.16 0.01 0.77 -0.73 0.00 0.00 179.01 178.45 1f0m h SER 29 N 0.25 0.06 0.08 1.04 0.02 -0.36 -2.40 113.55 112.24 1f0m h SER 29 Ca 0.27 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1f0m h SER 29 Cb 0.36 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1f0m h SER 29 CO -0.34 0.27 -0.10 -0.26 -1.14 0.00 0.00 176.83 175.26 1f0m h PHE 30 N -0.15 -0.26 0.32 3.45 -1.00 -0.56 -2.98 116.94 115.76 1f0m h PHE 30 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1f0m h PHE 30 Cb 0.23 0.10 -0.03 0.00 3.61 0.00 0.00 35.95 39.87 1f0m h PHE 30 CO 0.00 -0.16 -0.41 0.00 -1.61 0.00 0.00 178.31 176.14 1f0m h ALA 31 N 0.69 -0.84 0.00 2.45 0.00 -1.01 -1.88 119.26 118.68 1f0m h ALA 31 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1f0m h ALA 31 Cb 0.22 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1f0m h ALA 31 CO -0.05 -1.02 0.00 0.09 0.00 0.00 0.00 179.25 178.28 1f0m n ASN 32 N -5.49 0.00 -0.24 0.00 5.03 -0.91 -0.96 115.26 112.69 1f0m n ASN 32 Ca -0.09 0.06 0.03 0.00 0.87 0.00 0.00 54.58 55.44 1f0m n ASN 32 Cb 0.39 -0.06 0.04 0.00 -1.02 0.00 0.00 39.78 39.14 1f0m n ASN 32 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1f0m n ALA 33 N -1.05 2.32 -0.62 5.41 0.00 -0.74 -5.00 120.51 120.83 1f0m n ALA 33 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1f0m n ALA 33 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.27 1f0m n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f0m n GLY 34 N 0.15 0.80 3.12 0.00 0.00 -0.14 -4.96 105.19 104.17 1f0m n GLY 34 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1f0m n GLY 34 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1f0m n PHE 35 N -2.05 3.80 0.27 1.61 3.01 -0.97 -4.66 117.46 118.46 1f0m n PHE 35 Ca 0.00 -3.03 0.08 0.00 1.01 0.00 0.00 57.45 55.51 1f0m n PHE 35 Cb 0.00 -2.04 0.14 0.00 -0.01 0.00 0.00 39.48 37.57 1f0m n PHE 35 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1f0m n THR 36 N 3.85 0.45 -4.15 4.37 -2.24 -1.26 -4.37 114.28 110.92 1f0m n THR 36 Ca 0.38 -0.72 -0.11 0.00 -2.27 0.00 0.00 64.05 61.33 1f0m n THR 36 Cb 0.39 0.97 -0.09 0.00 -2.10 0.00 0.00 70.33 69.49 1f0m n THR 36 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1f0m s SER 37 N -1.21 0.15 0.36 3.42 1.04 -1.26 -4.67 113.70 111.52 1f0m s SER 37 Ca 0.26 -1.27 0.19 0.00 0.48 0.00 0.00 55.95 55.61 1f0m s SER 37 Cb 0.16 0.39 0.28 0.00 0.10 0.00 0.00 66.02 66.95 1f0m s SER 37 CO 0.22 -0.85 1.56 -0.26 0.98 0.00 0.00 173.24 174.88 1f0m h PHE 38 N 2.63 0.00 0.36 5.02 -1.00 -1.95 -2.45 116.94 119.55 1f0m h PHE 38 Ca -0.34 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.43 1f0m h PHE 38 Cb 1.24 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.78 1f0m h PHE 38 CO 0.38 0.29 -0.34 0.22 -1.61 0.00 0.00 178.31 177.25 1f0m h ASP 39 N 0.00 -0.92 -0.11 2.17 3.58 -1.99 -0.07 116.42 119.08 1f0m h ASP 39 Ca -0.00 0.08 -0.11 0.00 0.42 0.00 0.00 57.03 57.41 1f0m h ASP 39 Cb 1.16 0.31 0.00 0.00 1.72 0.00 0.00 39.33 42.52 1f0m h ASP 39 CO 0.04 -0.49 -0.36 1.62 -2.88 0.00 0.00 179.24 177.17 1f0m h VAL 40 N -0.72 1.38 -0.73 2.25 3.04 -1.95 -3.29 116.25 116.22 1f0m h VAL 40 Ca -0.03 -1.68 0.14 0.00 -1.01 0.00 0.00 66.70 64.12 1f0m h VAL 40 Cb 0.65 2.14 -0.09 0.00 -2.01 0.00 0.00 31.29 31.98 1f0m h VAL 40 CO -0.05 0.50 0.27 0.58 -1.01 0.00 0.00 177.57 177.86 1f0m h VAL 41 N 0.03 0.65 0.00 1.51 2.07 -1.37 0.11 116.25 119.25 1f0m h VAL 41 Ca -0.01 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1f0m h VAL 41 Cb 0.99 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1f0m h VAL 41 CO 0.08 0.07 0.00 -1.54 0.02 0.00 0.00 177.57 176.20 1f0m n SER 42 N -5.03 0.22 -0.53 0.57 3.41 -0.05 -0.87 113.62 111.35 1f0m n SER 42 Ca 0.14 0.58 0.11 0.00 -0.26 0.00 0.00 58.87 59.43 1f0m n SER 42 Cb 0.40 -0.62 0.01 0.00 -0.26 0.00 0.00 64.21 63.74 1f0m n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f0m n GLN 43 N -1.77 1.38 -1.87 4.33 6.02 0.36 -4.61 117.38 121.22 1f0m n GLN 43 Ca 0.01 -1.09 -0.41 0.00 -0.01 0.00 0.00 57.00 55.51 1f0m n GLN 43 Cb 0.09 -1.45 -0.00 0.00 1.02 0.00 0.00 30.24 29.90 1f0m n GLN 43 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1f0m s MET 44 N -2.35 4.05 0.47 -1.09 -1.94 -0.05 -5.03 119.30 113.36 1f0m s MET 44 Ca 0.19 2.45 0.05 0.00 -1.71 0.00 0.00 55.69 56.67 1f0m s MET 44 Cb 0.18 -2.90 -0.02 0.00 2.01 0.00 0.00 34.83 34.09 1f0m s MET 44 CO 0.52 -0.54 0.15 -1.64 -0.01 0.00 0.00 175.02 173.50 1f0m s MET 45 N -2.14 2.18 0.24 2.03 -1.94 -1.26 -4.98 119.30 113.44 1f0m s MET 45 Ca 0.54 -2.10 -0.06 0.00 -1.71 0.00 0.00 55.69 52.37 1f0m s MET 45 Cb -0.44 -1.81 0.44 0.00 2.01 0.00 0.00 34.83 35.02 1f0m s MET 45 CO 0.59 -0.29 1.68 1.98 -0.01 0.00 0.00 175.02 178.97 1f0m h MET 46 N 1.31 0.24 -0.51 2.03 1.85 -1.97 -1.31 114.93 116.57 1f0m h MET 46 Ca -0.42 -0.01 0.10 0.00 -0.61 0.00 0.00 59.70 58.76 1f0m h MET 46 Cb 1.28 -0.05 -0.10 0.00 0.43 0.00 0.00 31.60 33.15 1f0m h MET 46 CO 0.70 0.16 -0.21 0.93 -0.40 0.00 0.00 176.91 178.09 1f0m h GLU 47 N 0.25 -0.09 -0.86 0.39 3.07 -1.99 0.01 114.58 115.36 1f0m h GLU 47 Ca 0.40 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.28 1f0m h GLU 47 Cb 0.69 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.57 1f0m h GLU 47 CO -0.52 -0.06 0.57 -0.44 -1.40 0.00 0.00 179.01 177.16 1f0m h ASP 48 N -0.10 0.97 -0.68 1.42 5.19 -1.66 -0.72 116.42 120.84 1f0m h ASP 48 Ca 0.24 -0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.57 1f0m h ASP 48 Cb 0.46 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.70 1f0m h ASP 48 CO -0.57 0.70 0.23 0.40 -3.12 0.00 0.00 179.24 176.88 1f0m h ILE 49 N 1.15 1.25 -0.38 0.35 2.04 -0.49 -0.58 117.51 120.85 1f0m h ILE 49 Ca 0.32 -0.85 -0.08 0.00 1.00 0.00 0.00 64.86 65.25 1f0m h ILE 49 Cb -0.12 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1f0m h ILE 49 CO -0.07 0.33 -0.07 -0.07 0.00 0.00 0.00 178.15 178.27 1f0m h LEU 50 N 1.04 0.71 -0.59 1.44 3.38 -0.71 0.18 115.31 120.76 1f0m h LEU 50 Ca 0.23 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1f0m h LEU 50 Cb 0.27 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1f0m h LEU 50 CO -0.01 0.90 0.26 0.03 0.09 0.00 0.00 178.44 179.70 1f0m h ARG 51 N 0.52 0.86 0.00 1.13 3.08 -0.65 0.36 114.38 119.68 1f0m h ARG 51 Ca 0.10 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1f0m h ARG 51 Cb 0.57 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1f0m h ARG 51 CO 0.03 0.72 0.00 1.33 -1.07 0.00 0.00 179.97 180.98 1f0m n VAL 52 N -4.50 1.05 -0.29 2.04 0.24 -0.27 -4.83 118.33 111.76 1f0m n VAL 52 Ca 0.03 0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.60 1f0m n VAL 52 Cb 0.14 -1.13 0.00 0.00 -1.47 0.00 0.00 33.84 31.38 1f0m n VAL 52 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1f0m n GLY 53 N -0.65 0.82 3.61 7.63 0.00 0.13 -4.68 105.19 112.04 1f0m n GLY 53 Ca 0.03 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 1f0m n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f0m s VAL 54 N -2.00 4.19 -0.40 1.61 1.01 0.04 -4.85 120.40 119.99 1f0m s VAL 54 Ca 0.00 1.24 0.16 0.00 0.00 0.00 0.00 61.98 63.37 1f0m s VAL 54 Cb 0.00 -4.51 -0.21 0.00 0.00 0.00 0.00 36.38 31.66 1f0m s VAL 54 CO 0.00 -0.90 0.52 0.35 0.00 0.00 0.00 175.10 175.07 1f0m n THR 55 N 6.76 0.00 -2.77 3.92 -2.24 -1.26 -4.28 114.28 114.41 1f0m n THR 55 Ca 0.13 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 1f0m n THR 55 Cb 0.49 0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 69.27 1f0m n THR 55 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1f0m s LEU 56 N -3.40 4.32 0.18 3.22 2.01 -1.26 -4.96 118.68 118.79 1f0m s LEU 56 Ca 0.00 1.52 -0.14 0.00 0.01 0.00 0.00 54.13 55.52 1f0m s LEU 56 Cb 0.11 -3.47 0.17 0.00 0.01 0.00 0.00 46.19 43.01 1f0m s LEU 56 CO 0.66 -0.29 1.68 0.00 1.01 0.00 0.00 176.35 179.41 1f0m h ALA 57 N 6.91 0.43 -0.55 4.21 0.00 -2.00 -1.78 119.26 126.48 1f0m h ALA 57 Ca -0.38 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1f0m h ALA 57 Cb 1.19 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 1f0m h ALA 57 CO 0.78 -0.40 0.27 0.78 0.00 0.00 0.00 179.25 180.68 1f0m h GLY 58 N 0.09 0.82 0.86 0.00 0.00 -2.00 -2.10 103.07 100.75 1f0m h GLY 58 Ca 0.24 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 1f0m h GLY 58 CO -0.41 0.36 -0.19 0.45 0.00 0.00 0.00 176.54 176.74 1f0m h HIS 59 N 0.77 0.64 -0.55 5.60 3.86 -1.78 -0.72 115.15 122.97 1f0m h HIS 59 Ca 0.19 -0.18 0.07 0.00 -1.16 0.00 0.00 60.37 59.29 1f0m h HIS 59 Cb 0.07 -0.14 -0.06 0.00 1.06 0.00 0.00 27.41 28.34 1f0m h HIS 59 CO 0.01 0.86 0.22 1.96 0.86 0.00 0.00 177.93 181.83 1f0m h GLN 60 N 0.24 0.40 0.67 2.45 4.20 -1.11 -0.51 115.11 121.45 1f0m h GLN 60 Ca 0.04 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1f0m h GLN 60 Cb 0.73 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.43 1f0m h GLN 60 CO 0.05 0.26 -0.32 -0.22 -0.67 0.00 0.00 178.83 177.93 1f0m h LYS 61 N 0.41 -0.87 -0.70 1.46 3.64 -1.33 0.17 116.57 119.35 1f0m h LYS 61 Ca 0.26 0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.86 1f0m h LYS 61 Cb 0.28 0.20 -0.12 0.00 -0.41 0.00 0.00 32.23 32.18 1f0m h LYS 61 CO -0.25 -0.55 0.03 -0.22 -2.27 0.00 0.00 179.45 176.19 1f0m h LYS 62 N -1.14 0.13 0.14 1.90 3.64 -1.01 0.23 116.57 120.46 1f0m h LYS 62 Ca -0.09 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1f0m h LYS 62 Cb 0.72 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1f0m h LYS 62 CO 0.15 0.08 -0.07 0.82 -2.27 0.00 0.00 179.45 178.17 1f0m h ILE 63 N 0.13 0.99 -0.51 2.00 2.04 -1.04 -1.63 117.51 119.49 1f0m h ILE 63 Ca 0.38 -0.60 0.06 0.00 1.00 0.00 0.00 64.86 65.70 1f0m h ILE 63 Cb 0.65 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 38.04 1f0m h ILE 63 CO -0.59 0.14 0.23 0.25 0.00 0.00 0.00 178.15 178.18 1f0m h LEU 64 N -0.48 0.30 -1.27 1.44 6.46 -0.00 0.12 115.31 121.87 1f0m h LEU 64 Ca -0.02 0.04 -0.06 0.00 -0.12 0.00 0.00 57.88 57.72 1f0m h LEU 64 Cb 0.38 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 1f0m h LEU 64 CO 0.03 0.20 -0.19 0.78 -0.62 0.00 0.00 178.44 178.65 1f0m h ASN 65 N 0.44 0.25 -0.19 1.25 -0.26 -0.53 0.78 115.58 117.33 1f0m h ASN 65 Ca 0.24 -0.06 -0.08 0.00 -0.56 0.00 0.00 56.30 55.83 1f0m h ASN 65 Cb 0.20 -0.07 -0.00 0.00 -1.06 0.00 0.00 38.32 37.39 1f0m h ASN 65 CO -0.20 0.46 -0.19 -1.28 -1.06 0.00 0.00 177.43 175.17 1f0m h SER 66 N 0.24 0.49 -0.62 5.81 0.87 -0.34 -2.34 113.55 117.66 1f0m h SER 66 Ca 0.04 -0.48 0.05 0.00 -1.23 0.00 0.00 61.79 60.18 1f0m h SER 66 Cb 0.48 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.25 1f0m h SER 66 CO 0.03 0.87 0.35 0.40 -0.53 0.00 0.00 176.83 177.95 1f0m h ILE 67 N 0.12 0.99 -0.49 2.23 2.04 -0.66 0.58 117.51 122.33 1f0m h ILE 67 Ca 0.03 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1f0m h ILE 67 Cb 0.73 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1f0m h ILE 67 CO 0.05 0.12 0.24 1.56 0.00 0.00 0.00 178.15 180.12 1f0m h GLN 68 N 0.66 0.68 -0.29 2.37 4.20 -0.67 0.27 115.11 122.33 1f0m h GLN 68 Ca 0.27 -0.08 -0.16 0.00 0.06 0.00 0.00 58.65 58.74 1f0m h GLN 68 Cb 0.14 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1f0m h GLN 68 CO -0.16 0.53 -0.45 0.28 -0.67 0.00 0.00 178.83 178.36 1f0m h VAL 69 N 0.68 1.29 0.35 -0.54 2.07 -0.76 -1.92 116.25 117.43 1f0m h VAL 69 Ca 0.17 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 1f0m h VAL 69 Cb 0.07 1.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1f0m h VAL 69 CO -0.02 0.53 -0.20 -0.03 0.02 0.00 0.00 177.57 177.86 1f0m h MET 70 N 0.58 -0.51 -0.56 1.57 1.85 -0.16 -0.72 114.93 116.98 1f0m h MET 70 Ca 0.03 0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.15 1f0m h MET 70 Cb 1.05 0.12 -0.03 0.00 0.43 0.00 0.00 31.60 33.16 1f0m h MET 70 CO 0.10 -0.34 0.35 -0.09 -0.40 0.00 0.00 176.91 176.53 1f0m h ARG 71 N -0.53 0.74 -0.38 0.39 9.65 -0.53 -0.25 114.38 123.47 1f0m h ARG 71 Ca -0.04 -0.06 -0.08 0.00 -1.10 0.00 0.00 59.98 58.70 1f0m h ARG 71 Cb 0.43 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 1f0m h ARG 71 CO 0.05 0.52 -0.08 0.00 2.80 0.00 0.00 179.97 183.26 1f0m h ALA 72 N 1.18 1.14 -0.22 2.80 0.00 -1.20 -1.29 119.26 121.67 1f0m h ALA 72 Ca 0.20 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1f0m h ALA 72 Cb -0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1f0m h ALA 72 CO -0.04 0.55 -0.16 1.96 0.00 0.00 0.00 179.25 181.55 1f0m h GLN 73 N 0.61 0.49 -0.84 0.00 4.20 -0.80 -2.74 115.11 116.02 1f0m h GLN 73 Ca 0.11 -0.24 0.07 0.00 0.06 0.00 0.00 58.65 58.65 1f0m h GLN 73 Cb 0.51 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.22 1f0m h GLN 73 CO 0.03 0.80 0.52 0.52 -0.67 0.00 0.00 178.83 180.03 1f0m h MET 74 N 0.18 0.91 0.00 1.46 2.86 -0.85 -1.13 114.93 118.36 1f0m h MET 74 Ca 0.04 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1f0m h MET 74 Cb 0.69 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 1f0m h MET 74 CO 0.04 0.60 -0.05 -0.91 1.06 0.00 0.00 176.91 177.66 1f0m h ASN 75 N 0.93 0.00 -0.00 1.22 -0.26 -0.97 -2.94 115.58 113.56 1f0m h ASN 75 Ca 0.37 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 56.11 1f0m h ASN 75 Cb 0.19 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.45 1f0m h ASN 75 CO -0.18 0.05 -0.00 1.56 -1.06 0.00 0.00 177.43 177.79 1f0m h GLN 76 N 0.00 0.00 -2.00 0.81 4.20 -0.92 -2.90 115.11 114.31 1f0m h GLN 76 Ca -0.00 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1f0m h GLN 76 Cb 0.12 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1f0m h GLN 76 CO 0.01 0.54 -0.14 -0.89 -0.67 0.00 0.00 178.83 177.67 1f0m n ILE 77 N -4.83 2.36 0.00 2.54 5.41 -1.12 -5.14 119.36 118.58 1f0m n ILE 77 Ca -0.09 -0.86 0.00 0.00 1.00 0.00 0.00 62.75 62.80 1f0m n ILE 77 Cb 0.27 -1.68 0.00 0.00 -0.71 0.00 0.00 39.64 37.52 1f0m n ILE 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55