#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fkc s LYS 5 N 0.00 4.48 -0.10 2.89 1.02 -1.26 -5.06 119.74 121.71 3fkc s LYS 5 Ca 0.00 1.03 0.02 0.00 0.02 0.00 0.00 55.97 57.04 3fkc s LYS 5 Cb 0.00 -3.37 -0.01 0.00 -0.52 0.00 0.00 37.83 33.93 3fkc s LYS 5 CO 0.00 0.26 -0.18 -0.51 -0.92 0.00 0.00 175.35 174.01 3fkc s LEU 6 N 0.03 2.46 -0.11 3.17 1.43 -1.26 -5.12 118.68 119.29 3fkc s LEU 6 Ca 0.38 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 3fkc s LEU 6 Cb -0.20 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 3fkc s LEU 6 CO 0.22 0.20 -0.14 -0.63 0.23 0.00 0.00 176.35 176.23 3fkc s ILE 7 N 0.13 2.98 0.08 -0.59 1.01 -1.26 -5.12 121.20 118.43 3fkc s ILE 7 Ca -0.09 -0.71 0.07 0.00 0.00 0.00 0.00 60.65 59.93 3fkc s ILE 7 Cb -0.15 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 3fkc s ILE 7 CO 0.06 0.54 -0.19 -0.44 0.00 0.00 0.00 174.94 174.91 3fkc s SER 8 N 0.06 2.32 -0.14 3.58 0.01 -1.26 -5.15 113.70 113.12 3fkc s SER 8 Ca -0.05 -0.63 -0.22 0.00 1.31 0.00 0.00 55.95 56.36 3fkc s SER 8 Cb -0.15 -0.13 0.05 0.00 0.21 0.00 0.00 66.02 66.00 3fkc s SER 8 CO 0.04 0.05 0.55 0.00 0.41 0.00 0.00 173.24 174.30 3fkc s ALA 9 N -1.10 -1.39 -0.08 1.44 0.00 -1.26 -5.16 121.76 114.21 3fkc s ALA 9 Ca 0.05 1.31 0.02 0.00 0.00 0.00 0.00 51.96 53.34 3fkc s ALA 9 Cb -0.10 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.51 3fkc s ALA 9 CO 0.03 -0.29 -0.14 0.99 0.00 0.00 0.00 175.76 176.35 3fkc s THR 10 N -0.35 1.34 -0.57 0.00 2.01 -1.26 -5.10 115.64 111.70 3fkc s THR 10 Ca -0.05 -0.58 -0.18 0.00 0.31 0.00 0.00 61.69 61.19 3fkc s THR 10 Cb -0.03 -1.21 0.11 0.00 0.01 0.00 0.00 72.50 71.38 3fkc s THR 10 CO 0.04 0.40 0.62 -0.62 -0.69 0.00 0.00 174.62 174.37 3fkc s ASP 11 N 0.70 6.19 0.23 3.53 2.15 -1.26 -4.93 116.67 123.27 3fkc s ASP 11 Ca -0.13 -1.58 0.24 0.00 0.43 0.00 0.00 52.55 51.50 3fkc s ASP 11 Cb -0.16 -2.26 0.92 0.00 -0.30 0.00 0.00 42.92 41.12 3fkc s ASP 11 CO 0.03 -1.01 1.73 2.30 -0.17 0.00 0.00 175.17 178.05 3fkc n ILE 12 N 5.42 0.74 0.65 4.11 -5.35 -1.26 -2.39 119.36 121.28 3fkc n ILE 12 Ca -0.11 0.07 0.12 0.00 -0.27 0.00 0.00 62.75 62.56 3fkc n ILE 12 Cb 0.41 -0.97 0.29 0.00 -1.74 0.00 0.00 39.64 37.63 3fkc n ILE 12 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fkc n GLN 13 N -2.20 0.24 0.15 6.28 1.13 -1.26 -4.54 117.38 117.18 3fkc n GLN 13 Ca 0.03 0.12 -0.14 0.00 -1.94 0.00 0.00 57.00 55.08 3fkc n GLN 13 Cb 0.29 -1.70 -0.08 0.00 0.11 0.00 0.00 30.24 28.85 3fkc n GLN 13 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 3fkc h TYR 14 N 0.00 -0.34 -0.13 1.08 3.20 -1.90 -2.64 116.97 116.24 3fkc h TYR 14 Ca 0.00 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 3fkc h TYR 14 Cb 0.71 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 3fkc h TYR 14 CO 0.00 -0.06 -0.26 0.66 -1.64 0.00 0.00 178.16 176.87 3fkc h SER 15 N -0.60 0.23 -0.29 -2.11 4.64 -1.80 0.09 113.55 113.71 3fkc h SER 15 Ca -0.04 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.18 3fkc h SER 15 Cb 0.43 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 3fkc h SER 15 CO 0.06 0.50 0.07 1.23 -0.87 0.00 0.00 176.83 177.81 3fkc h GLY 16 N 0.97 0.50 1.01 -0.77 0.00 -1.84 -2.15 103.07 100.79 3fkc h GLY 16 Ca 0.03 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 3fkc h GLY 16 CO 0.04 0.30 0.32 0.23 0.00 0.00 0.00 176.54 177.43 3fkc h SER 17 N 0.30 0.90 0.09 0.19 0.87 -1.05 -2.16 113.55 112.69 3fkc h SER 17 Ca 0.09 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 3fkc h SER 17 Cb 0.30 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 3fkc h SER 17 CO 0.00 0.79 -0.04 0.25 -0.53 0.00 0.00 176.83 177.30 3fkc h LEU 18 N 0.95 -0.10 -0.82 2.23 5.85 -0.98 -0.67 115.31 121.77 3fkc h LEU 18 Ca 0.23 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 59.01 3fkc h LEU 18 Cb 0.13 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 3fkc h LEU 18 CO -0.03 -0.06 0.50 -0.07 -0.34 0.00 0.00 178.44 178.44 3fkc h LEU 19 N -0.12 0.78 -0.85 2.25 3.38 -1.32 0.44 115.31 119.87 3fkc h LEU 19 Ca -0.01 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3fkc h LEU 19 Cb 0.10 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3fkc h LEU 19 CO 0.02 0.50 0.44 -1.13 0.09 0.00 0.00 178.44 178.35 3fkc h ASN 20 N 0.91 1.09 -0.47 -0.43 -1.24 -1.08 -0.26 115.58 114.10 3fkc h ASN 20 Ca 0.36 -0.12 -0.10 0.00 0.71 0.00 0.00 56.30 57.15 3fkc h ASN 20 Cb 0.18 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.93 3fkc h ASN 20 CO -0.18 0.90 -0.09 0.28 -1.29 0.00 0.00 177.43 177.06 3fkc h SER 21 N 1.20 0.93 -0.68 1.15 0.02 -0.28 -1.09 113.55 114.81 3fkc h SER 21 Ca 0.30 -0.29 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 3fkc h SER 21 Cb 0.08 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 3fkc h SER 21 CO -0.04 1.03 0.16 -0.07 -1.14 0.00 0.00 176.83 176.77 3fkc h LEU 22 N 0.84 1.04 -0.66 5.07 3.38 -0.43 -0.66 115.31 123.90 3fkc h LEU 22 Ca 0.14 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 3fkc h LEU 22 Cb 0.62 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3fkc h LEU 22 CO 0.04 1.00 -0.04 -1.13 0.09 0.00 0.00 178.44 178.40 3fkc h ASN 23 N 1.04 0.99 -0.47 -0.43 -1.24 -0.76 -0.90 115.58 113.81 3fkc h ASN 23 Ca 0.22 -0.29 -0.00 0.00 0.71 0.00 0.00 56.30 56.93 3fkc h ASN 23 Cb 0.37 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 3fkc h ASN 23 CO 0.00 1.07 0.29 -0.33 -1.29 0.00 0.00 177.43 177.17 3fkc h GLU 24 N 0.92 0.63 -0.33 6.67 5.08 -0.90 -2.11 114.58 124.53 3fkc h GLU 24 Ca 0.16 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.52 3fkc h GLU 24 Cb 0.58 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 3fkc h GLU 24 CO 0.03 0.45 0.00 1.96 -1.00 0.00 0.00 179.01 180.46 3fkc h GLN 25 N 0.62 0.10 -0.84 2.33 4.20 -0.85 -2.63 115.11 118.04 3fkc h GLN 25 Ca 0.17 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.94 3fkc h GLN 25 Cb -0.02 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.67 3fkc h GLN 25 CO -0.03 0.06 0.51 -0.09 -0.67 0.00 0.00 178.83 178.61 3fkc h ARG 26 N 0.10 0.88 -0.76 1.46 2.43 -0.79 0.11 114.38 117.80 3fkc h ARG 26 Ca 0.16 -0.05 0.15 0.00 -0.81 0.00 0.00 59.98 59.43 3fkc h ARG 26 Cb 0.22 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.52 3fkc h ARG 26 CO -0.27 0.58 0.51 0.78 -1.51 0.00 0.00 179.97 180.06 3fkc h GLY 27 N 0.90 0.69 0.78 2.80 0.00 -1.02 -1.21 103.07 106.02 3fkc h GLY 27 Ca 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3fkc h GLY 27 CO -0.20 0.06 -0.52 1.42 0.00 0.00 0.00 176.54 177.30 3fkc n HIS 28 N -4.48 0.00 -1.06 5.60 8.25 -0.47 -4.96 115.22 118.11 3fkc n HIS 28 Ca 0.14 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.59 3fkc n HIS 28 Cb 0.54 -0.21 -0.01 0.00 1.12 0.00 0.00 29.99 31.44 3fkc n HIS 28 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fkc n GLY 29 N 1.48 0.49 3.72 -1.41 0.00 -0.25 -4.99 105.19 104.24 3fkc n GLY 29 Ca 0.06 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3fkc n GLY 29 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fkc s LEU 30 N -0.45 4.39 0.00 0.99 2.96 -0.14 -2.01 118.68 124.42 3fkc s LEU 30 Ca 0.00 2.21 0.00 0.00 -0.22 0.00 0.00 54.13 56.12 3fkc s LEU 30 Cb 0.00 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.10 3fkc s LEU 30 CO 0.00 -0.53 0.00 0.49 -1.32 0.00 0.00 176.35 174.99 3fkc n PHE 31 N 3.58 0.00 -2.27 5.38 3.72 -1.26 -4.51 117.46 122.10 3fkc n PHE 31 Ca 0.09 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.07 3fkc n PHE 31 Cb 0.44 -1.59 -0.03 0.00 -0.94 0.00 0.00 39.48 37.36 3fkc n PHE 31 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fkc n ASP 33 N 5.10 2.06 -3.80 0.00 5.75 -0.82 -4.92 116.55 119.92 3fkc n ASP 33 Ca 0.12 -2.07 -0.12 0.00 -0.01 0.00 0.00 54.79 52.70 3fkc n ASP 33 Cb 0.44 -0.04 -0.09 0.00 -1.03 0.00 0.00 41.12 40.40 3fkc n ASP 33 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3fkc s VAL 34 N -1.13 0.06 -0.11 2.12 0.11 -1.13 -4.71 120.40 115.61 3fkc s VAL 34 Ca 0.03 -0.51 0.04 0.00 -2.93 0.00 0.00 61.98 58.60 3fkc s VAL 34 Cb 0.02 -0.52 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 3fkc s VAL 34 CO 0.01 -0.28 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.38 3fkc s THR 35 N -1.21 2.02 -0.26 5.04 2.01 -0.41 -1.66 115.64 121.16 3fkc s THR 35 Ca -0.13 -0.98 -0.07 0.00 0.31 0.00 0.00 61.69 60.81 3fkc s THR 35 Cb -0.06 -1.76 -0.02 0.00 0.01 0.00 0.00 72.50 70.67 3fkc s THR 35 CO 0.03 0.55 0.08 -0.69 -0.69 0.00 0.00 174.62 173.89 3fkc s VAL 36 N 0.49 4.29 -0.22 3.82 1.01 0.63 -1.23 120.40 129.19 3fkc s VAL 36 Ca -0.15 -0.25 -0.14 0.00 0.00 0.00 0.00 61.98 61.43 3fkc s VAL 36 Cb -0.17 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3fkc s VAL 36 CO 0.06 0.29 0.33 -0.63 0.00 0.00 0.00 175.10 175.14 3fkc s ILE 37 N 1.60 5.24 -0.16 2.22 1.01 0.37 -0.51 121.20 130.97 3fkc s ILE 37 Ca 0.06 0.54 -0.02 0.00 0.00 0.00 0.00 60.65 61.23 3fkc s ILE 37 Cb -0.15 -3.66 0.05 0.00 0.01 0.00 0.00 42.46 38.71 3fkc s ILE 37 CO 0.04 0.27 0.02 -0.69 0.00 0.00 0.00 174.94 174.58 3fkc s VAL 38 N 1.29 0.51 0.00 2.92 1.01 -0.05 -1.38 120.40 124.70 3fkc s VAL 38 Ca 0.15 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.75 3fkc s VAL 38 Cb -0.14 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.32 3fkc s VAL 38 CO 0.07 -0.08 0.00 -0.62 0.00 0.00 0.00 175.10 174.47 3fkc n GLU 39 N 5.07 0.00 -0.86 2.72 1.02 -1.26 -1.46 120.64 125.86 3fkc n GLU 39 Ca -0.09 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.11 3fkc n GLU 39 Cb 0.48 0.00 0.38 0.00 -0.02 0.00 0.00 31.44 32.28 3fkc n GLU 39 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3fkc n ASP 40 N 6.00 5.41 -4.16 1.62 5.75 -1.26 -4.94 116.55 124.97 3fkc n ASP 40 Ca 0.00 -2.99 -0.20 0.00 -0.01 0.00 0.00 54.79 51.60 3fkc n ASP 40 Cb 0.00 -0.68 -0.13 0.00 -1.03 0.00 0.00 41.12 39.29 3fkc n ASP 40 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3fkc s ARG 41 N -2.81 0.90 -0.10 0.11 0.52 -0.54 -5.14 118.95 111.89 3fkc s ARG 41 Ca 0.53 -0.85 0.02 0.00 -0.52 0.00 0.00 55.73 54.92 3fkc s ARG 41 Cb 0.41 -0.92 -0.01 0.00 0.52 0.00 0.00 34.95 34.95 3fkc s ARG 41 CO 0.15 0.22 -0.18 0.15 0.02 0.00 0.00 175.30 175.66 3fkc s LYS 42 N -1.41 3.02 -0.15 3.54 1.02 -1.26 -0.88 119.74 123.63 3fkc s LYS 42 Ca 0.00 -0.77 0.02 0.00 0.02 0.00 0.00 55.97 55.24 3fkc s LYS 42 Cb -0.09 -2.43 0.01 0.00 -0.52 0.00 0.00 37.83 34.80 3fkc s LYS 42 CO 0.02 0.30 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.48 3fkc s PHE 43 N 0.09 2.70 0.13 3.18 0.08 0.33 -4.95 117.98 119.54 3fkc s PHE 43 Ca -0.08 -1.33 -0.22 0.00 0.12 0.00 0.00 56.93 55.43 3fkc s PHE 43 Cb -0.15 -1.84 -0.07 0.00 -0.57 0.00 0.00 43.02 40.39 3fkc s PHE 43 CO 0.05 -0.61 0.67 1.03 -0.10 0.00 0.00 175.22 176.26 3fkc s ARG 44 N 0.87 4.35 0.33 0.44 0.52 -1.26 -0.27 118.95 123.93 3fkc s ARG 44 Ca -0.06 0.92 -0.13 0.00 -0.52 0.00 0.00 55.73 55.94 3fkc s ARG 44 Cb -0.15 -3.20 0.03 0.00 0.52 0.00 0.00 34.95 32.14 3fkc s ARG 44 CO -0.03 0.58 0.65 0.00 0.02 0.00 0.00 175.30 176.53 3fkc s ALA 45 N -1.18 -0.41 -0.20 2.13 0.00 -0.66 -4.95 121.76 116.49 3fkc s ALA 45 Ca 0.33 -0.86 -0.07 0.00 0.00 0.00 0.00 51.96 51.37 3fkc s ALA 45 Cb -0.21 0.89 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 3fkc s ALA 45 CO 0.22 -0.93 0.05 -1.01 0.00 0.00 0.00 175.76 174.09 3fkc s HIS 46 N -3.08 3.13 0.27 0.00 0.09 -1.26 -1.95 115.29 112.49 3fkc s HIS 46 Ca 0.19 -0.20 -0.05 0.00 -0.00 0.00 0.00 55.06 55.00 3fkc s HIS 46 Cb -0.03 -2.12 0.32 0.00 -0.00 0.00 0.00 32.58 30.75 3fkc s HIS 46 CO 0.12 -0.09 1.94 0.87 -0.00 0.00 0.00 174.74 177.58 3fkc h LYS 47 N 7.33 1.24 -0.89 1.40 1.57 -1.90 -1.64 116.57 123.68 3fkc h LYS 47 Ca -0.36 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.36 3fkc h LYS 47 Cb 1.18 -0.28 -0.05 0.00 0.08 0.00 0.00 32.23 33.16 3fkc h LYS 47 CO 0.63 0.83 0.59 -2.95 -0.57 0.00 0.00 179.45 177.98 3fkc h ASN 48 N 1.28 1.01 -0.15 0.86 -1.07 -1.98 0.11 115.58 115.64 3fkc h ASN 48 Ca 0.35 -0.02 -0.08 0.00 0.07 0.00 0.00 56.30 56.61 3fkc h ASN 48 Cb -0.14 -0.25 -0.00 0.00 -2.07 0.00 0.00 38.32 35.86 3fkc h ASN 48 CO -0.07 0.72 -0.21 0.40 0.07 0.00 0.00 177.43 178.33 3fkc h ILE 49 N 1.19 1.35 -0.53 6.14 1.08 -1.87 -2.17 117.51 122.71 3fkc h ILE 49 Ca 0.33 -1.42 -0.03 0.00 -0.39 0.00 0.00 64.86 63.35 3fkc h ILE 49 Cb -0.10 1.92 -0.02 0.00 -3.07 0.00 0.00 36.82 35.54 3fkc h ILE 49 CO -0.08 0.42 0.20 -0.07 -0.69 0.00 0.00 178.15 177.93 3fkc h LEU 50 N 0.04 0.74 -1.07 1.44 4.07 -1.14 -1.81 115.31 117.58 3fkc h LEU 50 Ca 0.02 -0.18 -0.01 0.00 0.08 0.00 0.00 57.88 57.79 3fkc h LEU 50 Cb 0.78 -0.19 -0.04 0.00 1.08 0.00 0.00 40.66 42.28 3fkc h LEU 50 CO 0.05 0.72 0.50 -1.28 -1.08 0.00 0.00 178.44 177.35 3fkc h SER 51 N 0.71 1.01 0.00 -0.43 0.87 -0.77 -1.48 113.55 113.45 3fkc h SER 51 Ca 0.17 -0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 60.56 3fkc h SER 51 Cb 0.22 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3fkc h SER 51 CO -0.01 0.77 -0.35 0.00 -0.53 0.00 0.00 176.83 176.72 3fkc h ALA 52 N 1.40 0.99 -0.00 6.23 0.00 -1.03 -3.34 119.26 123.50 3fkc h ALA 52 Ca 0.30 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3fkc h ALA 52 Cb -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3fkc h ALA 52 CO -0.06 0.60 -0.58 0.43 0.00 0.00 0.00 179.25 179.65 3fkc n SER 53 N -4.06 1.13 -3.78 0.00 7.64 -0.71 -4.90 113.62 108.93 3fkc n SER 53 Ca -0.01 -1.06 -0.22 0.00 1.01 0.00 0.00 58.87 58.59 3fkc n SER 53 Cb 0.47 0.78 -0.17 0.00 -1.01 0.00 0.00 64.21 64.28 3fkc n SER 53 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3fkc s SER 54 N -2.27 1.34 0.32 6.43 0.15 -0.59 -4.48 113.70 114.60 3fkc s SER 54 Ca 0.09 -0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.71 3fkc s SER 54 Cb 0.13 -0.38 0.54 0.00 -1.71 0.00 0.00 66.02 64.59 3fkc s SER 54 CO 0.55 -0.17 1.83 0.71 1.20 0.00 0.00 173.24 177.36 3fkc h THR 55 N 6.31 1.22 0.15 6.45 1.35 -1.09 0.10 112.91 127.40 3fkc h THR 55 Ca -0.23 -0.92 -0.01 0.00 -0.55 0.00 0.00 66.41 64.70 3fkc h THR 55 Cb 1.13 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 3fkc h THR 55 CO 0.29 0.31 -0.07 0.22 -0.25 0.00 0.00 175.52 176.02 3fkc h TYR 56 N 0.49 -0.19 -0.22 4.73 3.20 -1.63 -1.92 116.97 121.43 3fkc h TYR 56 Ca 0.10 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 3fkc h TYR 56 Cb 0.42 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 3fkc h TYR 56 CO 0.01 0.01 -0.14 0.74 -1.64 0.00 0.00 178.16 177.14 3fkc h PHE 57 N -0.35 0.40 -0.23 -3.82 0.04 -1.72 0.01 116.94 111.26 3fkc h PHE 57 Ca -0.02 -0.06 0.02 0.00 2.80 0.00 0.00 57.97 60.72 3fkc h PHE 57 Cb 0.28 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 3fkc h PHE 57 CO -0.02 0.51 0.08 1.25 -0.60 0.00 0.00 178.31 179.53 3fkc h HIS 58 N 0.35 0.15 -0.16 -0.55 2.76 -0.62 0.11 115.15 117.18 3fkc h HIS 58 Ca 0.07 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 3fkc h HIS 58 Cb 0.46 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 3fkc h HIS 58 CO 0.01 0.07 0.10 0.37 -1.30 0.00 0.00 177.93 177.18 3fkc h GLN 59 N 0.19 0.22 -0.57 5.26 -0.00 -0.99 -3.27 115.11 115.95 3fkc h GLN 59 Ca 0.10 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.72 3fkc h GLN 59 Cb 0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 27.48 27.47 3fkc h GLN 59 CO -0.10 0.19 0.33 1.25 0.00 0.00 0.00 178.83 180.51 3fkc h LEU 60 N 0.18 0.70 -0.47 -2.39 5.85 -0.57 -3.02 115.31 115.59 3fkc h LEU 60 Ca 0.06 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3fkc h LEU 60 Cb 0.03 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.88 3fkc h LEU 60 CO -0.01 0.57 0.00 0.49 -0.34 0.00 0.00 178.44 179.15 3fkc n PHE 61 N -4.62 0.15 0.19 1.25 3.72 -0.01 -2.17 117.46 115.96 3fkc n PHE 61 Ca 0.04 -0.07 0.06 0.00 -0.05 0.00 0.00 57.45 57.43 3fkc n PHE 61 Cb 0.07 0.00 0.30 0.00 -0.94 0.00 0.00 39.48 38.91 3fkc n PHE 61 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3fkc h SER 62 N 0.81 0.00 -3.21 4.37 4.64 -1.58 -3.43 113.55 115.16 3fkc h SER 62 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 3fkc h SER 62 Cb 0.18 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.23 3fkc h SER 62 CO 0.00 0.35 -0.07 -0.69 -0.87 0.00 0.00 176.83 175.56 3fkc s VAL 63 N -3.47 4.83 0.70 0.95 1.01 -0.92 -5.08 120.40 118.42 3fkc s VAL 63 Ca 0.01 1.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.97 3fkc s VAL 63 Cb 0.10 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3fkc s VAL 63 CO 0.68 0.53 0.61 0.00 0.00 0.00 0.00 175.10 176.93 3fkc n ALA 64 N 1.94 -1.22 0.00 5.51 0.00 -1.26 -5.00 120.51 120.48 3fkc n ALA 64 Ca -0.10 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3fkc n ALA 64 Cb 0.51 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.06 3fkc n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fkc n GLY 65 N 1.56 4.30 0.04 0.00 0.00 -1.26 -5.05 105.19 104.78 3fkc n GLY 65 Ca 0.11 -0.50 0.07 0.00 0.00 0.00 0.00 46.02 45.70 3fkc n GLY 65 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fkc n GLN 66 N -1.19 1.81 -4.46 1.61 6.02 -1.26 -4.92 117.38 114.99 3fkc n GLN 66 Ca 0.00 -0.09 -0.23 0.00 -0.01 0.00 0.00 57.00 56.67 3fkc n GLN 66 Cb 0.00 -1.24 -0.16 0.00 1.02 0.00 0.00 30.24 29.85 3fkc n GLN 66 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3fkc s VAL 67 N -2.42 0.94 0.07 5.09 1.01 -1.26 -1.29 120.40 122.54 3fkc s VAL 67 Ca 0.07 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.74 3fkc s VAL 67 Cb 0.12 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 3fkc s VAL 67 CO 0.62 0.31 -0.18 0.68 0.00 0.00 0.00 175.10 176.53 3fkc s VAL 68 N 0.70 1.48 -0.11 2.92 -7.23 -0.37 -4.98 120.40 112.82 3fkc s VAL 68 Ca -0.13 -1.29 0.03 0.00 -1.81 0.00 0.00 61.98 58.78 3fkc s VAL 68 Cb -0.15 -1.34 -0.00 0.00 0.56 0.00 0.00 36.38 35.45 3fkc s VAL 68 CO 0.03 0.01 -0.22 -1.61 -0.31 0.00 0.00 175.10 172.99 3fkc s GLU 69 N -1.50 3.10 -0.13 4.82 2.02 -1.26 -0.48 118.70 125.26 3fkc s GLU 69 Ca 0.04 -0.85 -0.03 0.00 0.02 0.00 0.00 54.97 54.15 3fkc s GLU 69 Cb -0.09 -2.35 -0.03 0.00 0.10 0.00 0.00 34.13 31.76 3fkc s GLU 69 CO 0.03 0.18 -0.03 -0.51 0.02 0.00 0.00 175.26 174.95 3fkc s LEU 70 N 0.35 3.35 0.27 1.80 1.43 -0.48 -4.96 118.68 120.44 3fkc s LEU 70 Ca -0.18 -0.04 0.07 0.00 -1.03 0.00 0.00 54.13 52.95 3fkc s LEU 70 Cb -0.18 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 3fkc s LEU 70 CO 0.08 0.24 0.28 -0.94 0.23 0.00 0.00 176.35 176.24 3fkc s SER 71 N -0.05 5.73 0.00 2.29 1.04 -1.26 -4.43 113.70 117.02 3fkc s SER 71 Ca 0.02 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.25 3fkc s SER 71 Cb -0.13 -1.44 0.00 0.00 0.10 0.00 0.00 66.02 64.55 3fkc s SER 71 CO 0.02 -0.13 0.00 0.49 0.98 0.00 0.00 173.24 174.60 3fkc n PHE 72 N -1.31 0.00 -4.30 5.02 3.72 -1.26 -4.99 117.46 114.34 3fkc n PHE 72 Ca -0.06 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.10 3fkc n PHE 72 Cb 0.58 -0.35 -0.17 0.00 -0.94 0.00 0.00 39.48 38.61 3fkc n PHE 72 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3fkc s ILE 73 N -2.31 0.92 0.49 4.37 1.01 -1.26 -4.98 121.20 119.44 3fkc s ILE 73 Ca 0.00 -0.32 -0.20 0.00 0.00 0.00 0.00 60.65 60.13 3fkc s ILE 73 Cb 0.00 -0.89 -0.08 0.00 0.01 0.00 0.00 42.46 41.50 3fkc s ILE 73 CO 0.00 0.32 1.06 -0.13 0.00 0.00 0.00 174.94 176.18 3fkc s ARG 74 N 1.00 3.73 0.25 2.79 0.52 -1.26 -4.56 118.95 121.40 3fkc s ARG 74 Ca -0.09 1.42 -0.05 0.00 -0.52 0.00 0.00 55.73 56.49 3fkc s ARG 74 Cb -0.15 -2.09 0.34 0.00 0.52 0.00 0.00 34.95 33.57 3fkc s ARG 74 CO -0.00 -0.50 1.86 0.00 0.02 0.00 0.00 175.30 176.68 3fkc h ALA 75 N 1.52 1.23 0.00 2.13 0.00 -1.99 -1.06 119.26 121.09 3fkc h ALA 75 Ca -0.50 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 3fkc h ALA 75 Cb 1.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3fkc h ALA 75 CO 0.59 0.34 -0.38 1.05 0.00 0.00 0.00 179.25 180.85 3fkc h GLU 76 N 1.05 0.00 -0.02 0.00 4.11 -1.94 0.14 114.58 117.91 3fkc h GLU 76 Ca 0.39 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.79 3fkc h GLU 76 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3fkc h GLU 76 CO -0.16 0.38 -0.08 0.82 0.07 0.00 0.00 179.01 180.03 3fkc h ILE 77 N 0.00 1.48 -1.00 -1.06 1.08 -1.68 -2.76 117.51 113.58 3fkc h ILE 77 Ca -0.00 -1.55 0.09 0.00 -0.39 0.00 0.00 64.86 63.01 3fkc h ILE 77 Cb 0.83 2.45 -0.07 0.00 -3.07 0.00 0.00 36.82 36.96 3fkc h ILE 77 CO 0.05 0.42 0.64 0.15 -0.69 0.00 0.00 178.15 178.71 3fkc h PHE 78 N -0.49 1.17 -0.80 1.37 3.57 -0.99 -1.29 116.94 119.47 3fkc h PHE 78 Ca -0.00 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.64 3fkc h PHE 78 Cb 0.72 -0.38 -0.08 0.00 2.79 0.00 0.00 35.95 39.00 3fkc h PHE 78 CO 0.14 0.54 0.42 0.00 -2.23 0.00 0.00 178.31 177.18 3fkc h ALA 79 N 1.49 1.15 -0.30 2.41 0.00 -0.94 0.42 119.26 123.48 3fkc h ALA 79 Ca 0.46 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 55.27 3fkc h ALA 79 Cb 0.30 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3fkc h ALA 79 CO -0.21 -0.03 -0.44 1.49 0.00 0.00 0.00 179.25 180.06 3fkc h GLU 80 N 0.65 0.77 -0.62 0.00 4.57 -1.00 -0.84 114.58 118.11 3fkc h GLU 80 Ca 0.41 -0.42 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3fkc h GLU 80 Cb 0.49 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 3fkc h GLU 80 CO -0.31 1.05 0.40 0.82 -1.18 0.00 0.00 179.01 179.80 3fkc h ILE 81 N 0.62 1.13 -0.45 2.32 1.08 -0.62 -1.16 117.51 120.42 3fkc h ILE 81 Ca 0.04 -0.28 -0.10 0.00 -0.39 0.00 0.00 64.86 64.14 3fkc h ILE 81 Cb 1.00 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 3fkc h ILE 81 CO 0.10 0.15 -0.11 -0.07 -0.69 0.00 0.00 178.15 177.52 3fkc h LEU 82 N 0.81 0.80 -0.70 1.44 3.38 -0.81 -0.46 115.31 119.78 3fkc h LEU 82 Ca 0.24 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3fkc h LEU 82 Cb -0.05 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 3fkc h LEU 82 CO -0.07 0.93 0.46 0.78 0.09 0.00 0.00 178.44 180.62 3fkc h ASN 83 N 0.73 0.78 -0.08 -0.43 2.35 -0.71 -0.47 115.58 117.74 3fkc h ASN 83 Ca 0.12 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3fkc h ASN 83 Cb 0.60 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 3fkc h ASN 83 CO 0.04 0.55 0.05 0.22 -1.65 0.00 0.00 177.43 176.64 3fkc h TYR 84 N 0.92 0.10 -0.20 1.19 3.20 -0.88 -1.90 116.97 119.40 3fkc h TYR 84 Ca 0.26 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.19 3fkc h TYR 84 Cb -0.07 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 3fkc h TYR 84 CO -0.03 0.10 0.14 0.82 -1.64 0.00 0.00 178.16 177.55 3fkc h ILE 85 N 0.08 0.92 -0.62 1.81 2.04 -0.35 0.19 117.51 121.58 3fkc h ILE 85 Ca 0.03 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.88 3fkc h ILE 85 Cb 0.02 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3fkc h ILE 85 CO -0.01 0.01 0.00 -1.22 0.00 0.00 0.00 178.15 176.93 3fkc n TYR 86 N -4.48 1.10 0.00 1.37 4.02 -0.25 -4.63 117.16 114.28 3fkc n TYR 86 Ca 0.02 -0.56 0.00 0.00 -0.01 0.00 0.00 57.90 57.35 3fkc n TYR 86 Cb 0.26 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.47 3fkc n TYR 86 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3fkc n SER 87 N 1.18 0.00 0.00 7.72 3.41 -0.53 -4.52 113.62 120.88 3fkc n SER 87 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 3fkc n SER 87 Cb 0.71 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 3fkc n SER 87 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3fkc n SER 88 N -0.07 0.00 -4.30 4.04 3.41 0.56 -5.02 113.62 112.25 3fkc n SER 88 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 3fkc n SER 88 Cb 0.00 -0.06 -0.12 0.00 -0.26 0.00 0.00 64.21 63.76 3fkc n SER 88 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3fkc s LYS 89 N -0.02 1.16 -0.12 4.33 1.02 -1.26 -5.03 119.74 119.82 3fkc s LYS 89 Ca 0.00 -1.21 -0.02 0.00 0.02 0.00 0.00 55.97 54.77 3fkc s LYS 89 Cb 0.00 -1.40 -0.03 0.00 -0.52 0.00 0.00 37.83 35.88 3fkc s LYS 89 CO 0.00 0.32 -0.07 0.96 -0.92 0.00 0.00 175.35 175.64 3fkc s ILE 90 N -1.30 3.65 -0.15 2.17 -4.36 -1.26 -3.50 121.20 116.46 3fkc s ILE 90 Ca 0.08 -0.46 0.00 0.00 -0.26 0.00 0.00 60.65 60.01 3fkc s ILE 90 Cb -0.09 -2.55 0.02 0.00 1.25 0.00 0.00 42.46 41.09 3fkc s ILE 90 CO 0.05 0.53 -0.13 -0.69 0.24 0.00 0.00 174.94 174.94 3fkc s VAL 91 N 0.00 1.50 -1.38 8.37 1.01 -1.26 -4.85 120.40 123.80 3fkc s VAL 91 Ca -0.01 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 3fkc s VAL 91 Cb -0.14 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 34.84 3fkc s VAL 91 CO 0.03 0.44 0.83 0.54 0.00 0.00 0.00 175.10 176.94 3fkc n ARG 92 N 4.79 -5.34 -2.73 2.72 1.74 -1.26 -4.95 116.66 111.63 3fkc n ARG 92 Ca -0.16 0.63 -0.42 0.00 -0.77 0.00 0.00 57.85 57.13 3fkc n ARG 92 Cb 0.50 -5.34 -0.03 0.00 -1.02 0.00 0.00 32.46 26.57 3fkc n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3fkc s VAL 93 N -3.52 4.83 0.28 1.55 1.01 -1.26 -5.01 120.40 118.28 3fkc s VAL 93 Ca 0.25 1.98 -0.30 0.00 0.00 0.00 0.00 61.98 63.91 3fkc s VAL 93 Cb -0.12 -4.29 -0.13 0.00 0.00 0.00 0.00 36.38 31.84 3fkc s VAL 93 CO 0.81 0.06 1.40 0.54 0.00 0.00 0.00 175.10 177.91 3fkc n ARG 94 N 4.65 2.17 0.15 2.72 1.74 -1.26 -4.86 116.66 121.97 3fkc n ARG 94 Ca 0.07 0.77 0.05 0.00 -0.77 0.00 0.00 57.85 57.97 3fkc n ARG 94 Cb 0.49 -2.42 0.50 0.00 -1.02 0.00 0.00 32.46 30.01 3fkc n ARG 94 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3fkc h SER 95 N 3.77 0.17 0.55 0.55 4.64 -2.02 -0.73 113.55 120.49 3fkc h SER 95 Ca -0.46 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3fkc h SER 95 Cb 1.27 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3fkc h SER 95 CO 0.72 0.21 0.00 -0.90 -0.87 0.00 0.00 176.83 175.99 3fkc n ASP 96 N -4.42 0.18 -0.01 4.97 5.75 -1.26 -2.06 116.55 119.70 3fkc n ASP 96 Ca -0.01 0.55 0.11 0.00 -0.01 0.00 0.00 54.79 55.42 3fkc n ASP 96 Cb 0.15 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 3fkc n ASP 96 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3fkc n LEU 97 N -1.70 0.85 -0.20 -2.12 4.77 -0.28 -4.66 117.00 113.65 3fkc n LEU 97 Ca 0.03 -0.34 -0.08 0.00 -0.03 0.00 0.00 56.01 55.59 3fkc n LEU 97 Cb 0.18 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.21 3fkc n LEU 97 CO 0.15 0.21 0.95 0.25 -1.33 0.00 0.00 177.39 177.62 3fkc h LEU 98 N 0.04 0.82 -0.46 2.23 5.85 -1.38 -0.42 115.31 121.98 3fkc h LEU 98 Ca 0.00 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.54 3fkc h LEU 98 Cb 0.50 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3fkc h LEU 98 CO 0.00 0.79 0.29 -0.78 -0.34 0.00 0.00 178.44 178.40 3fkc h ASP 99 N 0.80 0.48 -0.99 1.25 3.58 -1.83 0.33 116.42 120.03 3fkc h ASP 99 Ca 0.19 -0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.64 3fkc h ASP 99 Cb 0.25 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.15 3fkc h ASP 99 CO -0.01 0.34 0.66 -0.33 -2.88 0.00 0.00 179.24 177.02 3fkc h GLU 100 N 0.58 1.30 -0.47 0.28 5.08 -1.76 -0.64 114.58 118.96 3fkc h GLU 100 Ca 0.18 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3fkc h GLU 100 Cb -0.02 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 28.92 3fkc h GLU 100 CO -0.07 0.86 0.14 1.25 -1.00 0.00 0.00 179.01 180.20 3fkc h LEU 101 N 1.34 0.68 -0.31 1.33 5.85 -0.40 -1.51 115.31 122.30 3fkc h LEU 101 Ca 0.37 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.90 3fkc h LEU 101 Cb -0.15 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 3fkc h LEU 101 CO -0.08 0.71 0.15 0.40 -0.34 0.00 0.00 178.44 179.28 3fkc h ILE 102 N 0.62 0.99 -0.72 4.05 2.04 -0.70 -0.83 117.51 122.97 3fkc h ILE 102 Ca 0.15 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 3fkc h ILE 102 Cb 0.27 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3fkc h ILE 102 CO -0.00 0.06 0.32 0.11 0.00 0.00 0.00 178.15 178.64 3fkc h LYS 103 N 0.32 1.03 -0.65 2.37 6.56 -1.00 -0.60 116.57 124.61 3fkc h LYS 103 Ca 0.13 -0.15 -0.04 0.00 -1.06 0.00 0.00 60.65 59.52 3fkc h LYS 103 Cb 0.04 -0.19 -0.03 0.00 -0.57 0.00 0.00 32.23 31.49 3fkc h LYS 103 CO -0.09 0.81 0.24 0.66 -2.06 0.00 0.00 179.45 179.01 3fkc h SER 104 N 1.02 0.89 -0.73 0.86 4.64 -0.71 -0.60 113.55 118.93 3fkc h SER 104 Ca 0.25 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.38 3fkc h SER 104 Cb 0.13 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 61.96 3fkc h SER 104 CO -0.03 0.81 0.25 1.23 -0.87 0.00 0.00 176.83 178.23 3fkc h GLY 105 N 1.04 1.20 0.93 -0.77 0.00 -0.46 -0.94 103.07 104.06 3fkc h GLY 105 Ca 0.22 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 3fkc h GLY 105 CO -0.02 0.65 0.09 1.46 0.00 0.00 0.00 176.54 178.72 3fkc h GLN 106 N 1.07 0.25 -0.61 4.80 4.20 -0.68 0.11 115.11 124.25 3fkc h GLN 106 Ca 0.24 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 3fkc h GLN 106 Cb 0.27 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 3fkc h GLN 106 CO -0.01 0.27 0.27 -0.07 -0.67 0.00 0.00 178.83 178.61 3fkc h LEU 107 N 0.17 0.83 -0.01 1.46 3.38 -0.96 -2.89 115.31 117.29 3fkc h LEU 107 Ca 0.06 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3fkc h LEU 107 Cb 0.09 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3fkc h LEU 107 CO -0.01 0.75 -0.21 0.18 0.09 0.00 0.00 178.44 179.24 3fkc n LEU 108 N -4.48 0.22 -2.80 1.67 4.77 -0.37 -4.73 117.00 111.28 3fkc n LEU 108 Ca 0.04 0.27 -0.13 0.00 -0.03 0.00 0.00 56.01 56.17 3fkc n LEU 108 Cb 0.15 -0.38 0.07 0.00 -2.33 0.00 0.00 43.42 40.92 3fkc n LEU 108 CO 0.39 0.05 0.08 0.61 -1.33 0.00 0.00 177.39 177.19 3fkc n GLY 109 N 1.49 -0.15 3.18 -0.72 0.00 0.15 -1.88 105.19 107.26 3fkc n GLY 109 Ca 0.07 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3fkc n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fkc s VAL 110 N -3.27 4.06 0.19 1.61 1.01 0.09 -1.69 120.40 122.40 3fkc s VAL 110 Ca 0.00 -2.08 -0.12 0.00 0.00 0.00 0.00 61.98 59.78 3fkc s VAL 110 Cb -0.00 -3.67 0.10 0.00 0.00 0.00 0.00 36.38 32.81 3fkc s VAL 110 CO 0.54 -0.80 1.83 0.07 0.00 0.00 0.00 175.10 176.75 3fkc h LYS 111 N 8.10 0.71 -0.67 2.72 -0.00 -1.83 -0.99 116.57 124.61 3fkc h LYS 111 Ca -0.14 -0.04 -0.07 0.00 -0.00 0.00 0.00 60.65 60.39 3fkc h LYS 111 Cb 1.05 -0.16 -0.03 0.00 -0.00 0.00 0.00 32.23 33.09 3fkc h LYS 111 CO 0.80 0.47 0.12 0.35 -0.00 0.00 0.00 179.45 181.19 3fkc h PHE 112 N 0.73 1.15 -0.33 0.07 3.57 -1.95 -1.93 116.94 118.25 3fkc h PHE 112 Ca 0.23 -0.15 -0.13 0.00 3.53 0.00 0.00 57.97 61.45 3fkc h PHE 112 Cb -0.01 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 3fkc h PHE 112 CO -0.05 0.95 -0.31 0.82 -2.23 0.00 0.00 178.31 177.49 3fkc h ILE 113 N 1.02 1.29 0.00 1.41 1.08 -1.73 -2.79 117.51 117.80 3fkc h ILE 113 Ca 0.21 -1.48 -0.01 0.00 -0.39 0.00 0.00 64.86 63.19 3fkc h ILE 113 Cb 0.41 1.48 -0.00 0.00 -3.07 0.00 0.00 36.82 35.65 3fkc h ILE 113 CO 0.01 0.48 -0.03 0.00 -0.69 0.00 0.00 178.15 177.92 3fkc h ALA 114 N 0.74 1.11 -0.25 1.87 0.00 -0.94 -2.37 119.26 119.41 3fkc h ALA 114 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3fkc h ALA 114 Cb 0.89 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3fkc h ALA 114 CO 0.08 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.37 3fkc n ALA 115 N -2.15 2.48 1.07 0.00 0.00 -0.75 -4.86 120.51 116.29 3fkc n ALA 115 Ca -0.02 -0.72 0.09 0.00 0.00 0.00 0.00 53.44 52.79 3fkc n ALA 115 Cb 0.18 -0.99 0.51 0.00 0.00 0.00 0.00 19.45 19.15 3fkc n ALA 115 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78