#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fyu s VAL 6 N 0.00 4.44 0.00 0.00 -7.23 -1.26 -4.97 120.40 111.38 2fyu s VAL 6 Ca 0.00 1.75 0.00 0.00 -1.81 0.00 0.00 61.98 61.92 2fyu s VAL 6 Cb 0.00 -4.12 0.00 0.00 0.56 0.00 0.00 36.38 32.82 2fyu s VAL 6 CO 0.00 0.07 0.00 -1.54 -0.31 0.00 0.00 175.10 173.32 2fyu n SER 7 N 4.47 0.00 0.05 4.85 3.41 -1.26 -4.83 113.62 120.31 2fyu n SER 7 Ca 0.09 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.50 2fyu n SER 7 Cb 0.48 -0.03 -0.14 0.00 -0.26 0.00 0.00 64.21 64.25 2fyu n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fyu h ALA 8 N -0.32 -0.09 -0.54 7.33 0.00 -2.01 -3.05 119.26 120.59 2fyu h ALA 8 Ca 0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 54.91 54.16 2fyu h ALA 8 Cb 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2fyu h ALA 8 CO 0.00 0.37 0.11 0.77 0.00 0.00 0.00 179.25 180.50 2fyu h SER 9 N -0.36 0.79 -0.31 0.00 0.02 -2.00 -3.23 113.55 108.46 2fyu h SER 9 Ca -0.14 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.64 2fyu h SER 9 Cb 1.63 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.95 2fyu h SER 9 CO 0.15 0.79 0.11 0.28 -1.14 0.00 0.00 176.83 177.02 2fyu h SER 10 N 0.81 0.44 -0.03 3.07 0.02 -1.87 -1.87 113.55 114.11 2fyu h SER 10 Ca 0.17 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2fyu h SER 10 Cb 0.33 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2fyu h SER 10 CO 0.00 0.51 -0.06 0.03 -1.14 0.00 0.00 176.83 176.17 2fyu h ARG 11 N 0.34 0.23 -0.02 3.45 3.08 -1.61 0.11 114.38 119.97 2fyu h ARG 11 Ca 0.10 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 2fyu h ARG 11 Cb 0.22 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2fyu h ARG 11 CO -0.01 0.31 -0.13 2.35 -1.07 0.00 0.00 179.97 181.42 2fyu h TRP 12 N 0.23 0.18 -0.68 3.04 2.91 -1.55 0.92 115.95 120.99 2fyu h TRP 12 Ca 0.05 -0.08 0.14 0.00 1.13 0.00 0.00 58.89 60.13 2fyu h TRP 12 Cb 0.26 -0.03 -0.10 0.00 -0.51 0.00 0.00 29.16 28.78 2fyu h TRP 12 CO 0.00 0.79 0.14 1.25 -1.03 0.00 0.00 178.44 179.60 2fyu h LEU 13 N -0.48 -0.02 -1.12 0.65 5.85 -1.21 -1.39 115.31 117.58 2fyu h LEU 13 Ca -0.01 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 2fyu h LEU 13 Cb 0.81 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 2fyu h LEU 13 CO 0.03 -0.03 0.09 -0.08 -0.34 0.00 0.00 178.44 178.11 2fyu h GLU 14 N 0.25 0.72 -0.16 1.25 4.57 -0.82 -2.53 114.58 117.86 2fyu h GLU 14 Ca 0.37 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.40 2fyu h GLU 14 Cb 0.60 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2fyu h GLU 14 CO -0.48 0.67 0.07 0.78 -1.18 0.00 0.00 179.01 178.87 2fyu h GLY 15 N 0.91 0.25 1.00 1.92 0.00 -0.21 0.26 103.07 107.20 2fyu h GLY 15 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 2fyu h GLY 15 CO 0.00 0.13 0.42 -2.22 0.00 0.00 0.00 176.54 174.87 2fyu h ILE 16 N 0.11 1.21 -0.61 2.60 1.08 -1.27 0.65 117.51 121.27 2fyu h ILE 16 Ca 0.05 -0.47 0.01 0.00 -0.39 0.00 0.00 64.86 64.06 2fyu h ILE 16 Cb 0.16 0.22 -0.03 0.00 -3.07 0.00 0.00 36.82 34.10 2fyu h ILE 16 CO -0.01 0.22 0.40 0.03 -0.69 0.00 0.00 178.15 178.11 2fyu h ARG 17 N 0.98 0.81 -0.28 2.37 3.08 -1.32 -1.52 114.38 118.50 2fyu h ARG 17 Ca 0.26 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 60.12 2fyu h ARG 17 Cb -0.02 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.85 2fyu h ARG 17 CO -0.05 0.54 -0.35 -0.22 -1.07 0.00 0.00 179.97 178.82 2fyu h LYS 18 N 0.83 0.73 -0.12 0.04 3.64 -0.41 -1.09 116.57 120.18 2fyu h LYS 18 Ca 0.22 -0.41 0.04 0.00 -1.27 0.00 0.00 60.65 59.24 2fyu h LYS 18 Cb -0.09 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.71 2fyu h LYS 18 CO -0.05 1.03 -0.18 2.35 -2.27 0.00 0.00 179.45 180.34 2fyu h TRP 19 N 0.47 -0.45 -0.84 1.91 7.01 -0.86 -2.49 115.95 120.70 2fyu h TRP 19 Ca 0.04 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.03 2fyu h TRP 19 Cb 0.93 0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 28.17 2fyu h TRP 19 CO 0.08 -0.25 0.40 -0.92 -2.79 0.00 0.00 178.44 174.96 2fyu h TYR 20 N -0.23 1.20 -0.49 2.65 3.20 -1.18 -2.02 116.97 120.11 2fyu h TYR 20 Ca 0.09 -0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.97 2fyu h TYR 20 Cb 0.36 -0.37 -0.05 0.00 1.54 0.00 0.00 36.73 38.21 2fyu h TYR 20 CO -0.28 0.86 0.20 -0.92 -1.64 0.00 0.00 178.16 176.38 2fyu h TYR 21 N 1.19 0.36 -0.41 -3.82 3.20 -1.13 0.82 116.97 117.17 2fyu h TYR 21 Ca 0.29 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 62.03 2fyu h TYR 21 Cb 0.11 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 2fyu h TYR 21 CO 0.01 0.14 -0.32 -0.91 -1.64 0.00 0.00 178.16 175.45 2fyu h ASN 22 N 0.39 0.97 -0.19 -2.11 -0.26 -1.29 -2.96 115.58 110.14 2fyu h ASN 22 Ca 0.23 -0.41 -0.09 0.00 -0.56 0.00 0.00 56.30 55.46 2fyu h ASN 22 Cb 0.20 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.18 2fyu h ASN 22 CO -0.21 1.20 -0.18 0.00 -1.06 0.00 0.00 177.43 177.18 2fyu h ALA 23 N 0.85 1.06 -0.69 -0.83 0.00 -1.31 -2.88 119.26 115.47 2fyu h ALA 23 Ca 0.08 -0.33 0.10 0.00 0.00 0.00 0.00 54.91 54.76 2fyu h ALA 23 Cb 0.90 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 2fyu h ALA 23 CO 0.08 0.57 0.32 0.00 0.00 0.00 0.00 179.25 180.23 2fyu h ALA 24 N 1.25 0.95 0.00 0.00 0.00 -0.67 -3.47 119.26 117.31 2fyu h ALA 24 Ca 0.09 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2fyu h ALA 24 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2fyu h ALA 24 CO 0.04 -0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.61 2fyu n GLY 25 N -1.30 0.43 0.23 0.00 0.00 -1.09 -4.92 105.19 98.55 2fyu n GLY 25 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.21 2fyu n GLY 25 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2fyu h PHE 26 N 0.00 0.00 0.00 1.61 -0.00 -1.88 -2.33 116.94 114.33 2fyu h PHE 26 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.96 2fyu h PHE 26 Cb 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.13 2fyu h PHE 26 CO 0.11 0.21 -0.05 -2.95 -0.00 0.00 0.00 178.31 175.64 2fyu h ASN 27 N 0.00 0.00 0.65 -0.68 -1.07 -1.87 -1.73 115.58 110.88 2fyu h ASN 27 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 56.30 56.32 2fyu h ASN 27 Cb 0.48 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.72 2fyu h ASN 27 CO 0.03 0.05 -0.22 0.11 0.07 0.00 0.00 177.43 177.46 2fyu h LYS 28 N 0.00 0.00 -0.18 4.14 1.57 -1.75 -2.18 116.57 118.17 2fyu h LYS 28 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2fyu h LYS 28 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2fyu h LYS 28 CO 0.01 0.22 0.00 1.28 -0.57 0.00 0.00 179.45 180.39 2fyu n LEU 29 N -3.57 2.54 -0.00 2.94 4.77 -0.78 -0.03 117.00 122.86 2fyu n LEU 29 Ca -0.01 -0.99 -0.00 0.00 -0.03 0.00 0.00 56.01 54.98 2fyu n LEU 29 Cb 0.37 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2fyu n LEU 29 CO 0.33 0.49 -0.00 0.61 -1.33 0.00 0.00 177.39 177.49 2fyu n GLY 30 N 1.31 0.42 3.76 -0.72 0.00 -0.84 -4.24 105.19 104.87 2fyu n GLY 30 Ca 0.17 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2fyu n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fyu s LEU 31 N -0.01 4.51 0.48 0.99 1.43 -0.72 -4.86 118.68 120.50 2fyu s LEU 31 Ca 0.00 2.34 -0.14 0.00 -1.03 0.00 0.00 54.13 55.30 2fyu s LEU 31 Cb 0.00 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.52 2fyu s LEU 31 CO 0.00 -0.25 0.91 -0.04 0.23 0.00 0.00 176.35 177.20 2fyu s MET 32 N -1.33 3.88 0.27 1.70 -1.94 -1.26 -3.87 119.30 116.75 2fyu s MET 32 Ca 0.46 0.78 -0.05 0.00 -1.71 0.00 0.00 55.69 55.17 2fyu s MET 32 Cb -0.33 -2.23 0.53 0.00 2.01 0.00 0.00 34.83 34.81 2fyu s MET 32 CO 0.43 -0.19 1.60 -0.09 -0.01 0.00 0.00 175.02 176.75 2fyu h ARG 33 N 1.02 0.04 0.00 2.03 2.43 -1.96 -2.50 114.38 115.44 2fyu h ARG 33 Ca -0.47 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.68 2fyu h ARG 33 Cb 1.19 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2fyu h ARG 33 CO 0.62 0.03 -0.10 -0.44 -1.51 0.00 0.00 179.97 178.57 2fyu h ASP 34 N 0.05 0.00 0.31 -3.80 3.45 -1.96 -1.30 116.42 113.16 2fyu h ASP 34 Ca 0.48 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.93 2fyu h ASP 34 Cb 0.86 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.63 2fyu h ASP 34 CO -0.82 0.10 -0.06 0.44 -1.57 0.00 0.00 179.24 177.34 2fyu h ASP 35 N 0.00 0.00 0.15 6.45 3.45 -1.84 -3.22 116.42 121.41 2fyu h ASP 35 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2fyu h ASP 35 Cb 0.61 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.38 2fyu h ASP 35 CO 0.01 0.06 -1.00 0.35 -1.57 0.00 0.00 179.24 177.09 2fyu n THR 36 N -3.47 0.03 -1.70 0.35 -2.24 -0.49 -4.99 114.28 101.77 2fyu n THR 36 Ca -0.02 -0.08 -0.44 0.00 -2.27 0.00 0.00 64.05 61.24 2fyu n THR 36 Cb 0.18 0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 69.05 2fyu n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2fyu n ILE 37 N -1.63 0.60 -1.76 2.28 0.00 -1.22 -4.95 119.36 112.69 2fyu n ILE 37 Ca 0.03 -0.15 -0.42 0.00 0.00 0.00 0.00 62.75 62.21 2fyu n ILE 37 Cb 0.37 -1.69 -0.03 0.00 0.00 0.00 0.00 39.64 38.29 2fyu n ILE 37 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 2fyu s HIS 38 N 0.36 1.92 -1.10 9.51 5.65 -1.26 -4.95 115.29 125.41 2fyu s HIS 38 Ca 0.71 -0.09 -0.22 0.00 0.25 0.00 0.00 55.06 55.71 2fyu s HIS 38 Cb -0.60 -4.15 0.00 0.00 -1.18 0.00 0.00 32.58 26.66 2fyu s HIS 38 CO 0.44 -4.85 1.74 -1.21 -0.65 0.00 0.00 174.74 170.21 2fyu s GLU 39 N 3.33 3.23 0.65 2.88 2.02 -1.26 -4.82 118.70 124.73 2fyu s GLU 39 Ca 0.82 -1.18 -0.10 0.00 0.02 0.00 0.00 54.97 54.53 2fyu s GLU 39 Cb -0.43 -5.32 0.15 0.00 0.10 0.00 0.00 34.13 28.63 2fyu s GLU 39 CO 0.37 -2.86 0.89 0.27 0.02 0.00 0.00 175.26 173.94 2fyu n ASN 40 N 11.08 0.21 -0.20 -0.19 0.23 -1.26 -4.89 115.26 120.24 2fyu n ASN 40 Ca 0.41 -1.41 -0.06 0.00 -0.53 0.00 0.00 54.58 53.00 2fyu n ASN 40 Cb 0.48 -0.67 0.04 0.00 -2.08 0.00 0.00 39.78 37.55 2fyu n ASN 40 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2fyu h ASP 41 N -1.09 0.61 -0.69 0.53 3.45 -1.99 0.33 116.42 117.58 2fyu h ASP 41 Ca -0.29 -0.01 0.09 0.00 0.43 0.00 0.00 57.03 57.26 2fyu h ASP 41 Cb 0.83 -0.14 -0.07 0.00 -0.56 0.00 0.00 39.33 39.39 2fyu h ASP 41 CO 0.22 0.44 0.32 0.44 -1.57 0.00 0.00 179.24 179.09 2fyu h ASP 42 N 0.73 0.40 -0.22 6.45 3.32 -1.97 -2.01 116.42 123.13 2fyu h ASP 42 Ca 0.22 0.07 -0.16 0.00 0.02 0.00 0.00 57.03 57.17 2fyu h ASP 42 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2fyu h ASP 42 CO -0.07 0.23 -0.49 0.58 -1.72 0.00 0.00 179.24 177.76 2fyu h VAL 43 N 0.55 1.30 -0.49 -1.35 2.07 -1.73 -2.03 116.25 114.57 2fyu h VAL 43 Ca 0.34 -1.71 -0.05 0.00 0.82 0.00 0.00 66.70 66.10 2fyu h VAL 43 Cb 0.38 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 2fyu h VAL 43 CO -0.28 0.54 0.10 0.11 0.02 0.00 0.00 177.57 178.06 2fyu h LYS 44 N 0.45 0.75 -0.42 1.57 1.57 -0.79 -0.94 116.57 118.76 2fyu h LYS 44 Ca 0.00 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.55 2fyu h LYS 44 Cb 1.11 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 2fyu h LYS 44 CO 0.11 0.69 -0.07 1.49 -0.57 0.00 0.00 179.45 181.10 2fyu h GLU 45 N 0.72 0.79 -0.58 3.15 4.57 -1.28 -2.05 114.58 119.89 2fyu h GLU 45 Ca 0.16 -0.29 0.04 0.00 -1.18 0.00 0.00 59.36 58.09 2fyu h GLU 45 Cb 0.29 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.79 2fyu h GLU 45 CO 0.00 0.90 0.34 0.00 -1.18 0.00 0.00 179.01 179.06 2fyu h ALA 46 N 0.87 0.76 -0.28 2.92 0.00 -0.60 -2.04 119.26 120.89 2fyu h ALA 46 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.06 2fyu h ALA 46 Cb 0.59 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2fyu h ALA 46 CO 0.04 0.03 0.05 0.82 0.00 0.00 0.00 179.25 180.19 2fyu h ILE 47 N 0.65 0.86 -0.96 0.00 1.08 -1.10 -2.41 117.51 115.62 2fyu h ILE 47 Ca 0.25 -0.05 0.08 0.00 -0.39 0.00 0.00 64.86 64.74 2fyu h ILE 47 Cb 0.09 0.69 -0.07 0.00 -3.07 0.00 0.00 36.82 34.46 2fyu h ILE 47 CO -0.13 0.03 0.61 -0.09 -0.69 0.00 0.00 178.15 177.88 2fyu h ARG 48 N 0.15 1.05 0.00 2.37 2.43 -1.14 -2.04 114.38 117.20 2fyu h ARG 48 Ca 0.13 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2fyu h ARG 48 Cb 0.14 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 2fyu h ARG 48 CO -0.18 0.70 0.00 0.54 -1.51 0.00 0.00 179.97 179.52 2fyu n ARG 49 N -4.56 0.16 -1.83 0.20 1.74 -0.79 -4.90 116.66 106.70 2fyu n ARG 49 Ca 0.15 0.25 -0.40 0.00 -0.77 0.00 0.00 57.85 57.09 2fyu n ARG 49 Cb 0.22 -1.74 0.02 0.00 -1.02 0.00 0.00 32.46 29.94 2fyu n ARG 49 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2fyu s LEU 50 N -4.06 4.11 0.82 0.55 1.43 -0.77 -4.99 118.68 115.78 2fyu s LEU 50 Ca 0.09 2.89 -0.11 0.00 -1.03 0.00 0.00 54.13 55.96 2fyu s LEU 50 Cb 0.12 -3.95 0.09 0.00 0.03 0.00 0.00 46.19 42.48 2fyu s LEU 50 CO 0.48 -1.16 1.09 -2.16 0.23 0.00 0.00 176.35 174.83 2fyu s PRO 51 N -2.45 1.85 0.19 1.29 0.04 -1.26 -4.73 135.00 129.93 2fyu s PRO 51 Ca 0.61 1.03 -0.18 0.00 0.04 0.00 0.00 61.00 62.50 2fyu s PRO 51 Cb -0.43 -1.86 0.15 0.00 0.04 0.00 0.00 34.50 32.40 2fyu s PRO 51 CO 0.55 -1.89 1.61 1.49 0.04 0.00 0.00 177.00 178.81 2fyu h GLU 52 N -1.30 -0.11 -0.77 4.56 4.57 -1.99 -1.04 114.58 118.50 2fyu h GLU 52 Ca -0.46 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 57.77 2fyu h GLU 52 Cb 1.25 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.82 2fyu h GLU 52 CO 0.53 -0.07 0.48 -2.95 -1.18 0.00 0.00 179.01 175.81 2fyu h ASN 53 N -0.11 0.77 0.02 1.04 -0.00 -2.00 -1.81 115.58 113.49 2fyu h ASN 53 Ca 0.24 0.01 -0.18 0.00 -0.00 0.00 0.00 56.30 56.37 2fyu h ASN 53 Cb 0.49 -0.16 0.02 0.00 -0.00 0.00 0.00 38.32 38.67 2fyu h ASN 53 CO -0.60 0.52 -0.70 -0.07 -0.00 0.00 0.00 177.43 176.58 2fyu h LEU 54 N 0.91 0.59 -0.38 6.14 3.38 -1.85 -1.90 115.31 122.21 2fyu h LEU 54 Ca 0.32 -0.78 0.08 0.00 0.09 0.00 0.00 57.88 57.59 2fyu h LEU 54 Cb 0.07 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.55 2fyu h LEU 54 CO -0.13 1.29 -0.23 0.22 0.09 0.00 0.00 178.44 179.68 2fyu h TYR 55 N -0.04 -0.60 -0.37 1.13 3.20 -1.03 -0.94 116.97 118.32 2fyu h TYR 55 Ca -0.09 0.05 -0.17 0.00 3.14 0.00 0.00 58.73 61.66 2fyu h TYR 55 Cb 1.42 0.32 -0.00 0.00 1.54 0.00 0.00 36.73 40.00 2fyu h TYR 55 CO 0.14 -0.31 -0.42 -0.44 -1.64 0.00 0.00 178.16 175.50 2fyu h ASP 56 N -0.17 1.01 -0.46 -2.11 3.45 -1.24 -2.07 116.42 114.83 2fyu h ASP 56 Ca 0.18 -0.48 0.04 0.00 0.43 0.00 0.00 57.03 57.21 2fyu h ASP 56 Cb 0.46 -0.28 -0.04 0.00 -0.56 0.00 0.00 39.33 38.90 2fyu h ASP 56 CO -0.48 1.28 0.21 0.44 -1.57 0.00 0.00 179.24 179.12 2fyu h ASP 57 N 0.75 0.29 -0.28 6.45 3.45 -1.28 -2.04 116.42 123.76 2fyu h ASP 57 Ca 0.05 0.03 0.06 0.00 0.43 0.00 0.00 57.03 57.61 2fyu h ASP 57 Cb 1.02 -0.02 -0.07 0.00 -0.56 0.00 0.00 39.33 39.70 2fyu h ASP 57 CO 0.10 0.21 -0.15 -0.09 -1.57 0.00 0.00 179.24 177.74 2fyu h ARG 58 N 0.43 -0.11 -0.09 3.56 2.43 -0.87 -0.78 114.38 118.94 2fyu h ARG 58 Ca 0.21 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2fyu h ARG 58 Cb 0.14 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2fyu h ARG 58 CO -0.16 -0.08 0.06 -0.39 -1.51 0.00 0.00 179.97 177.89 2fyu h VAL 59 N -0.12 1.04 -0.84 0.20 -1.51 -1.23 -1.23 116.25 112.56 2fyu h VAL 59 Ca 0.15 -0.10 0.11 0.00 -1.23 0.00 0.00 66.70 65.63 2fyu h VAL 59 Cb 0.34 0.94 -0.08 0.00 -2.13 0.00 0.00 31.29 30.36 2fyu h VAL 59 CO -0.36 0.04 0.47 0.15 -1.23 0.00 0.00 177.57 176.64 2fyu h PHE 60 N 0.11 0.85 -0.59 5.19 3.04 -1.17 -0.66 116.94 123.71 2fyu h PHE 60 Ca 0.03 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.98 2fyu h PHE 60 Cb 0.01 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.24 2fyu h PHE 60 CO -0.06 0.32 0.23 0.00 -2.02 0.00 0.00 178.31 176.78 2fyu h ARG 61 N 0.76 0.88 0.00 1.11 3.08 -0.72 -0.67 114.38 118.83 2fyu h ARG 61 Ca 0.42 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 2fyu h ARG 61 Cb 0.43 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2fyu h ARG 61 CO -0.27 0.76 -0.00 0.82 -1.07 0.00 0.00 179.97 180.20 2fyu h ILE 62 N 0.81 1.10 -0.38 2.04 1.08 -0.94 -1.96 117.51 119.25 2fyu h ILE 62 Ca 0.20 -0.29 0.05 0.00 -0.39 0.00 0.00 64.86 64.43 2fyu h ILE 62 Cb 0.21 1.29 -0.05 0.00 -3.07 0.00 0.00 36.82 35.20 2fyu h ILE 62 CO -0.02 0.07 0.11 0.50 -0.69 0.00 0.00 178.15 178.12 2fyu h LYS 63 N -0.12 0.24 -0.40 2.37 3.64 -0.90 0.21 116.57 121.60 2fyu h LYS 63 Ca -0.00 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 2fyu h LYS 63 Cb 0.12 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 2fyu h LYS 63 CO 0.00 0.16 0.05 -0.09 -2.27 0.00 0.00 179.45 177.30 2fyu h ARG 64 N 0.25 0.61 -0.14 1.90 2.43 -1.09 0.47 114.38 118.81 2fyu h ARG 64 Ca 0.18 -0.12 -0.18 0.00 -0.81 0.00 0.00 59.98 59.05 2fyu h ARG 64 Cb 0.19 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2fyu h ARG 64 CO -0.21 0.60 -0.61 0.00 -1.51 0.00 0.00 179.97 178.24 2fyu h ALA 65 N 1.47 0.26 -0.58 2.80 0.00 -0.57 -1.76 119.26 120.88 2fyu h ALA 65 Ca 0.13 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 2fyu h ALA 65 Cb 0.30 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2fyu h ALA 65 CO 0.00 0.51 -0.02 -0.07 0.00 0.00 0.00 179.25 179.67 2fyu h LEU 66 N 0.32 1.01 -0.68 0.00 3.38 -0.31 -0.70 115.31 118.34 2fyu h LEU 66 Ca -0.04 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.71 2fyu h LEU 66 Cb 1.24 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 2fyu h LEU 66 CO 0.13 1.08 0.37 -0.78 0.09 0.00 0.00 178.44 179.32 2fyu h ASP 67 N 0.94 0.53 -0.33 -0.43 1.82 -0.87 -0.51 116.42 117.57 2fyu h ASP 67 Ca 0.16 0.04 -0.09 0.00 -0.39 0.00 0.00 57.03 56.75 2fyu h ASP 67 Cb 0.57 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.51 2fyu h ASP 67 CO 0.03 0.33 -0.15 -0.07 -1.61 0.00 0.00 179.24 177.77 2fyu h LEU 68 N 0.66 0.71 -0.92 2.28 3.38 -1.13 -2.66 115.31 117.63 2fyu h LEU 68 Ca 0.32 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2fyu h LEU 68 Cb 0.24 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2fyu h LEU 68 CO -0.21 0.95 0.54 -1.28 0.09 0.00 0.00 178.44 178.53 2fyu h SER 69 N 0.46 1.12 -0.73 -0.43 0.87 -0.72 0.28 113.55 114.41 2fyu h SER 69 Ca 0.08 -0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 2fyu h SER 69 Cb 0.68 -0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 62.31 2fyu h SER 69 CO 0.05 0.87 0.45 -0.03 -0.53 0.00 0.00 176.83 177.64 2fyu h MET 70 N 1.28 0.85 -0.00 2.24 1.85 -1.02 -2.63 114.93 117.49 2fyu h MET 70 Ca 0.33 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.37 2fyu h MET 70 Cb -0.03 -0.19 0.00 0.00 0.43 0.00 0.00 31.60 31.81 2fyu h MET 70 CO -0.06 0.56 -0.14 0.54 -0.40 0.00 0.00 176.91 177.42 2fyu n ARG 71 N -4.66 0.56 -2.52 0.39 1.74 -0.43 -4.94 116.66 106.80 2fyu n ARG 71 Ca 0.08 -0.20 -0.20 0.00 -0.77 0.00 0.00 57.85 56.76 2fyu n ARG 71 Cb 0.10 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.04 2fyu n ARG 71 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2fyu n GLN 72 N -1.04 -2.30 -3.78 5.56 -0.06 0.85 -4.97 117.38 111.62 2fyu n GLN 72 Ca 0.13 0.92 -0.22 0.00 -2.00 0.00 0.00 57.00 55.83 2fyu n GLN 72 Cb 0.29 -5.61 -0.04 0.00 -4.06 0.00 0.00 30.24 20.82 2fyu n GLN 72 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2fyu s GLN 73 N -5.17 2.49 0.22 3.69 -1.52 -0.76 -5.01 119.66 113.60 2fyu s GLN 73 Ca 0.06 -1.55 0.05 0.00 -1.95 0.00 0.00 55.36 51.96 2fyu s GLN 73 Cb -0.03 -2.30 -0.05 0.00 -0.22 0.00 0.00 33.01 30.42 2fyu s GLN 73 CO 0.07 -0.08 -0.05 0.96 -0.25 0.00 0.00 175.29 175.94 2fyu s ILE 74 N -2.46 1.21 0.68 1.08 -4.36 -1.26 -4.46 121.20 111.63 2fyu s ILE 74 Ca 0.44 -2.07 -0.16 0.00 -0.26 0.00 0.00 60.65 58.60 2fyu s ILE 74 Cb -0.02 -2.22 0.01 0.00 1.25 0.00 0.00 42.46 41.48 2fyu s ILE 74 CO 0.26 -0.44 1.17 -0.76 0.24 0.00 0.00 174.94 175.41 2fyu s LEU 75 N -3.29 3.42 0.39 0.37 1.43 0.96 -5.03 118.68 116.93 2fyu s LEU 75 Ca 0.25 2.25 -0.26 0.00 -1.03 0.00 0.00 54.13 55.34 2fyu s LEU 75 Cb 0.04 -4.58 -0.11 0.00 0.03 0.00 0.00 46.19 41.57 2fyu s LEU 75 CO 0.07 -1.91 1.13 -2.65 0.23 0.00 0.00 176.35 173.22 2fyu n PRO 76 N -2.36 1.63 -0.32 1.29 -0.02 -1.26 -4.88 135.00 129.08 2fyu n PRO 76 Ca 0.12 0.58 0.20 0.00 -2.02 0.00 0.00 63.50 62.39 2fyu n PRO 76 Cb 0.51 -2.15 0.46 0.00 -0.02 0.00 0.00 33.50 32.30 2fyu n PRO 76 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2fyu h LYS 77 N 1.92 0.46 -0.97 -0.52 3.64 -1.96 -0.86 116.57 118.28 2fyu h LYS 77 Ca -0.45 -0.03 0.28 0.00 -1.27 0.00 0.00 60.65 59.19 2fyu h LYS 77 Cb 1.32 -0.10 -0.14 0.00 -0.41 0.00 0.00 32.23 32.89 2fyu h LYS 77 CO 0.59 0.31 0.48 0.93 -2.27 0.00 0.00 179.45 179.48 2fyu h GLU 78 N 0.48 0.32 -0.02 1.90 3.07 -2.03 -2.73 114.58 115.57 2fyu h GLU 78 Ca 0.58 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.42 2fyu h GLU 78 Cb 1.33 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 2fyu h GLU 78 CO -0.31 0.21 -0.23 1.04 -1.40 0.00 0.00 179.01 178.32 2fyu n GLN 79 N -5.08 1.72 -2.00 2.33 6.02 -0.33 -4.93 117.38 115.11 2fyu n GLN 79 Ca 0.28 -1.39 -0.39 0.00 -0.01 0.00 0.00 57.00 55.49 2fyu n GLN 79 Cb 0.86 -1.47 0.01 0.00 1.02 0.00 0.00 30.24 30.65 2fyu n GLN 79 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2fyu s TRP 80 N -2.24 2.69 -0.11 1.08 0.51 -1.03 -4.67 118.94 115.16 2fyu s TRP 80 Ca 0.24 1.40 -0.30 0.00 -2.12 0.00 0.00 56.10 55.32 2fyu s TRP 80 Cb 0.19 -3.69 -0.02 0.00 -0.81 0.00 0.00 33.47 29.14 2fyu s TRP 80 CO 0.44 -2.27 1.16 0.95 -0.51 0.00 0.00 176.95 176.71 2fyu s THR 81 N -1.30 4.41 0.10 2.01 -4.23 -1.07 -5.00 115.64 110.57 2fyu s THR 81 Ca 0.61 1.71 -0.30 0.00 -1.18 0.00 0.00 61.69 62.53 2fyu s THR 81 Cb -0.38 -4.10 -0.06 0.00 1.34 0.00 0.00 72.50 69.30 2fyu s THR 81 CO 0.48 -0.05 1.01 -0.54 -0.54 0.00 0.00 174.62 174.98 2fyu s LYS 82 N 2.55 4.64 0.26 3.99 1.02 -1.26 -4.80 119.74 126.13 2fyu s LYS 82 Ca 0.53 1.52 -0.03 0.00 0.02 0.00 0.00 55.97 58.01 2fyu s LYS 82 Cb -0.22 -3.37 0.54 0.00 -0.52 0.00 0.00 37.83 34.27 2fyu s LYS 82 CO 0.18 0.11 1.67 -0.92 -0.92 0.00 0.00 175.35 175.47 2fyu h TYR 83 N 5.77 0.27 -0.46 3.18 5.03 -1.96 -1.18 116.97 127.62 2fyu h TYR 83 Ca -0.43 0.05 -0.02 0.00 2.58 0.00 0.00 58.73 60.91 2fyu h TYR 83 Cb 1.21 0.01 -0.02 0.00 1.55 0.00 0.00 36.73 39.48 2fyu h TYR 83 CO 0.65 -0.14 0.20 0.93 -1.32 0.00 0.00 178.16 178.48 2fyu h GLU 84 N 0.24 0.65 -0.01 1.82 3.07 -2.02 -2.79 114.58 115.54 2fyu h GLU 84 Ca 0.46 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 59.24 2fyu h GLU 84 Cb 0.84 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 2fyu h GLU 84 CO -0.58 0.52 -0.12 0.39 -1.40 0.00 0.00 179.01 177.82 2fyu n GLU 85 N -4.38 1.01 -2.21 2.33 1.02 -0.53 -4.94 120.64 112.95 2fyu n GLU 85 Ca 0.04 -0.49 -0.43 0.00 -0.02 0.00 0.00 57.16 56.25 2fyu n GLU 85 Cb 0.14 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 2fyu n GLU 85 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2fyu s ASP 86 N -2.33 6.38 -0.32 1.62 -1.08 -0.67 -4.91 116.67 115.37 2fyu s ASP 86 Ca 0.31 1.36 -0.20 0.00 -0.52 0.00 0.00 52.55 53.51 2fyu s ASP 86 Cb 0.20 -2.53 -0.01 0.00 -1.46 0.00 0.00 42.92 39.12 2fyu s ASP 86 CO 0.45 -1.30 0.61 -0.54 0.52 0.00 0.00 175.17 174.90 2fyu s LYS 87 N 4.72 3.84 -1.49 4.34 -0.14 -1.26 -4.97 119.74 124.78 2fyu s LYS 87 Ca 0.67 0.21 -0.12 0.00 -1.36 0.00 0.00 55.97 55.37 2fyu s LYS 87 Cb -0.21 -3.74 0.01 0.00 -1.68 0.00 0.00 37.83 32.21 2fyu s LYS 87 CO 0.29 -0.59 2.43 -1.13 -0.76 0.00 0.00 175.35 175.59 2fyu n SER 88 N 5.87 5.58 0.14 2.83 3.41 -1.26 -4.74 113.62 125.46 2fyu n SER 88 Ca -0.02 -2.79 0.01 0.00 -0.26 0.00 0.00 58.87 55.82 2fyu n SER 88 Cb 0.49 -1.61 0.15 0.00 -0.26 0.00 0.00 64.21 62.98 2fyu n SER 88 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 2fyu h TYR 89 N 5.63 0.00 0.20 7.33 -0.00 -1.99 -3.19 116.97 124.95 2fyu h TYR 89 Ca 0.66 0.00 -0.32 0.00 -0.00 0.00 0.00 58.73 59.06 2fyu h TYR 89 Cb 0.52 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 37.27 2fyu h TYR 89 CO 1.58 0.57 -1.54 1.25 -0.00 0.00 0.00 178.16 180.02 2fyu h LEU 90 N 0.00 0.66 -0.79 0.10 5.85 -1.94 -3.42 115.31 115.76 2fyu h LEU 90 Ca -0.01 -0.92 0.09 0.00 0.84 0.00 0.00 57.88 57.88 2fyu h LEU 90 Cb 1.20 -0.21 -0.11 0.00 0.37 0.00 0.00 40.66 41.91 2fyu h LEU 90 CO 0.07 1.71 -0.40 1.21 -0.34 0.00 0.00 178.44 180.69 2fyu n GLU 91 N -3.73 -0.28 0.11 1.25 2.13 -1.20 -0.82 120.64 118.10 2fyu n GLU 91 Ca -0.21 1.20 0.03 0.00 0.66 0.00 0.00 57.16 58.84 2fyu n GLU 91 Cb 1.04 -1.78 0.40 0.00 0.27 0.00 0.00 31.44 31.37 2fyu n GLU 91 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2fyu h PRO 92 N 0.00 0.25 -0.16 5.31 0.13 -1.81 0.36 132.00 136.08 2fyu h PRO 92 Ca 0.19 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 2fyu h PRO 92 Cb 0.38 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 2fyu h PRO 92 CO -0.76 0.37 0.05 1.88 -0.23 0.00 0.00 178.00 179.30 2fyu h TYR 93 N 0.24 0.26 -0.50 1.56 0.05 -1.50 -2.72 116.97 114.37 2fyu h TYR 93 Ca 0.05 -0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.77 2fyu h TYR 93 Cb 0.34 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 2fyu h TYR 93 CO 0.01 0.37 0.17 1.25 -1.05 0.00 0.00 178.16 178.91 2fyu h LEU 94 N 0.07 0.72 -0.58 3.88 5.85 -0.04 -1.45 115.31 123.76 2fyu h LEU 94 Ca 0.05 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.63 2fyu h LEU 94 Cb 0.24 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 2fyu h LEU 94 CO -0.00 0.72 0.30 0.50 -0.34 0.00 0.00 178.44 179.62 2fyu h LYS 95 N 0.67 0.55 -0.47 1.25 3.64 -0.36 -0.42 116.57 121.44 2fyu h LYS 95 Ca 0.16 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 2fyu h LYS 95 Cb 0.25 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2fyu h LYS 95 CO -0.01 0.36 0.03 1.49 -2.27 0.00 0.00 179.45 179.05 2fyu h GLU 96 N 0.56 0.80 -0.50 1.90 4.57 -1.22 -1.04 114.58 119.67 2fyu h GLU 96 Ca 0.26 -0.24 0.05 0.00 -1.18 0.00 0.00 59.36 58.25 2fyu h GLU 96 Cb 0.17 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.63 2fyu h GLU 96 CO -0.18 0.84 0.22 0.28 -1.18 0.00 0.00 179.01 179.00 2fyu h VAL 97 N 0.66 0.91 -0.71 0.32 2.07 -0.96 -0.95 116.25 117.60 2fyu h VAL 97 Ca 0.14 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 2fyu h VAL 97 Cb 0.46 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2fyu h VAL 97 CO 0.02 0.08 0.43 0.40 0.02 0.00 0.00 177.57 178.52 2fyu h ILE 98 N 0.44 1.20 -0.75 4.57 2.04 -0.97 -1.71 117.51 122.34 2fyu h ILE 98 Ca 0.23 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 2fyu h ILE 98 Cb 0.17 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 2fyu h ILE 98 CO -0.18 0.21 0.37 0.03 0.00 0.00 0.00 178.15 178.57 2fyu h ARG 99 N 0.97 1.07 -0.35 2.37 3.08 -0.88 -1.46 114.38 119.18 2fyu h ARG 99 Ca 0.26 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 2fyu h ARG 99 Cb -0.04 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 2fyu h ARG 99 CO -0.05 0.83 0.11 0.93 -1.07 0.00 0.00 179.97 180.73 2fyu h GLU 100 N 1.05 0.54 -0.84 0.04 5.08 -0.85 -2.23 114.58 117.38 2fyu h GLU 100 Ca 0.26 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2fyu h GLU 100 Cb 0.10 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 2fyu h GLU 100 CO -0.03 0.56 0.51 -0.09 -1.00 0.00 0.00 179.01 178.96 2fyu h ARG 101 N 0.42 1.14 -0.31 2.33 2.43 -1.11 -2.83 114.38 116.45 2fyu h ARG 101 Ca 0.11 -0.10 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 2fyu h ARG 101 Cb 0.24 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2fyu h ARG 101 CO -0.00 0.80 -0.34 0.87 -1.51 0.00 0.00 179.97 179.78 2fyu h LYS 102 N 1.15 0.70 -0.33 0.20 1.57 -1.06 -1.02 116.57 117.77 2fyu h LYS 102 Ca 0.30 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2fyu h LYS 102 Cb -0.05 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2fyu h LYS 102 CO -0.06 0.94 0.18 1.49 -0.57 0.00 0.00 179.45 181.43 2fyu h GLU 103 N 0.59 0.47 -0.63 3.15 4.81 -1.41 -0.19 114.58 121.37 2fyu h GLU 103 Ca 0.06 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 2fyu h GLU 103 Cb 0.86 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.09 2fyu h GLU 103 CO 0.07 0.41 0.31 0.00 -0.73 0.00 0.00 179.01 179.07 2fyu h ARG 104 N 0.41 0.55 -0.27 1.92 3.08 -1.25 -1.06 114.38 117.76 2fyu h ARG 104 Ca 0.12 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 2fyu h ARG 104 Cb 0.08 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 2fyu h ARG 104 CO -0.02 0.36 -0.11 0.93 -1.07 0.00 0.00 179.97 180.07 2fyu h GLU 105 N 0.56 0.45 -0.25 0.04 5.08 -0.83 0.12 114.58 119.75 2fyu h GLU 105 Ca 0.30 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 2fyu h GLU 105 Cb 0.26 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2fyu h GLU 105 CO -0.23 0.56 -0.32 0.93 -1.00 0.00 0.00 179.01 178.96 2fyu h GLU 106 N 0.42 0.66 -0.99 2.33 4.39 -0.75 -2.80 114.58 117.84 2fyu h GLU 106 Ca 0.08 -0.38 0.01 0.00 0.34 0.00 0.00 59.36 59.42 2fyu h GLU 106 Cb 0.45 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.07 2fyu h GLU 106 CO 0.02 0.99 0.66 -1.49 -1.16 0.00 0.00 179.01 178.03 2fyu h TRP 107 N 0.38 1.24 0.00 4.33 4.06 -0.91 -3.01 115.95 122.04 2fyu h TRP 107 Ca 0.03 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.99 2fyu h TRP 107 Cb 0.90 -0.42 -0.00 0.00 -1.00 0.00 0.00 29.16 28.64 2fyu h TRP 107 CO 0.08 0.77 -0.10 0.00 -3.56 0.00 0.00 178.44 175.64 2fyu h ALA 108 N 1.39 1.13 -0.53 1.49 0.00 -0.96 -3.08 119.26 118.69 2fyu h ALA 108 Ca 0.37 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 2fyu h ALA 108 Cb -0.14 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2fyu h ALA 108 CO -0.08 0.12 -0.11 0.87 0.00 0.00 0.00 179.25 180.04 2fyu h LYS 109 N 0.00 1.02 0.00 0.00 1.57 -1.35 -3.51 116.57 114.29 2fyu h LYS 109 Ca -0.00 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2fyu h LYS 109 Cb 0.41 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2fyu h LYS 109 CO 0.01 1.07 0.00 0.36 -0.57 0.00 0.00 179.45 180.32