#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6r s GLN 2 N 0.00 4.27 0.40 5.31 -1.52 -1.26 -0.88 119.66 125.98 1f6r s GLN 2 Ca 0.00 0.56 0.07 0.00 -1.95 0.00 0.00 55.36 54.05 1f6r s GLN 2 Cb 0.00 -3.37 -0.06 0.00 -0.22 0.00 0.00 33.01 29.37 1f6r s GLN 2 CO 0.00 0.32 0.15 -0.51 -0.25 0.00 0.00 175.29 175.00 1f6r s LEU 3 N 0.05 3.08 0.30 2.90 1.43 -0.64 -5.02 118.68 120.78 1f6r s LEU 3 Ca 0.28 -1.10 0.08 0.00 -1.03 0.00 0.00 54.13 52.36 1f6r s LEU 3 Cb -0.17 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 1f6r s LEU 3 CO 0.14 -0.50 0.14 0.42 0.23 0.00 0.00 176.35 176.77 1f6r s THR 4 N -2.60 3.51 0.20 5.49 -4.23 -1.26 -4.83 115.64 111.92 1f6r s THR 4 Ca 0.40 -1.65 -0.21 0.00 -1.18 0.00 0.00 61.69 59.05 1f6r s THR 4 Cb 0.04 -3.06 0.15 0.00 1.34 0.00 0.00 72.50 70.97 1f6r s THR 4 CO 0.22 -0.27 1.56 0.50 -0.54 0.00 0.00 174.62 176.09 1f6r h LYS 5 N 1.58 -0.07 0.00 3.99 3.64 -2.00 -1.18 116.57 122.54 1f6r h LYS 5 Ca -0.45 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.89 1f6r h LYS 5 Cb 1.25 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 1f6r h LYS 5 CO 0.61 -0.04 -0.20 0.00 -2.27 0.00 0.00 179.45 177.54 1f6r h GLU 7 N 0.00 0.41 -0.37 0.00 5.08 -1.64 -0.76 114.58 117.29 1f6r h GLU 7 Ca -0.00 -0.37 -0.09 0.00 -1.00 0.00 0.00 59.36 57.89 1f6r h GLU 7 Cb 0.72 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1f6r h GLU 7 CO 0.03 1.02 -0.14 0.28 -1.00 0.00 0.00 179.01 179.20 1f6r h VAL 8 N 0.26 1.28 -0.46 3.13 2.07 -1.11 -0.56 116.25 120.87 1f6r h VAL 8 Ca -0.05 -1.24 0.05 0.00 0.82 0.00 0.00 66.70 66.28 1f6r h VAL 8 Cb 1.40 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 32.43 1f6r h VAL 8 CO 0.14 0.41 0.19 0.15 0.02 0.00 0.00 177.57 178.48 1f6r h PHE 9 N 0.54 0.34 -0.45 1.57 3.57 -1.09 -0.58 116.94 120.84 1f6r h PHE 9 Ca 0.09 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.48 1f6r h PHE 9 Cb 0.67 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1f6r h PHE 9 CO 0.05 0.15 -0.23 -0.09 -2.23 0.00 0.00 178.31 175.97 1f6r h ARG 10 N 0.38 0.95 0.00 1.11 2.43 -0.98 -3.23 114.38 115.05 1f6r h ARG 10 Ca 0.21 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1f6r h ARG 10 Cb 0.17 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1f6r h ARG 10 CO -0.18 1.08 0.00 0.39 -1.51 0.00 0.00 179.97 179.75 1f6r n GLU 11 N -4.14 0.18 -0.56 0.20 1.02 -0.23 -3.30 120.64 113.80 1f6r n GLU 11 Ca -0.01 0.14 0.08 0.00 -0.02 0.00 0.00 57.16 57.36 1f6r n GLU 11 Cb 0.46 -1.71 0.31 0.00 -0.02 0.00 0.00 31.44 30.49 1f6r n GLU 11 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1f6r n LEU 12 N -2.01 4.46 -0.34 -4.62 4.77 -0.26 -4.63 117.00 114.37 1f6r n LEU 12 Ca 0.06 -2.63 0.17 0.00 -0.03 0.00 0.00 56.01 53.59 1f6r n LEU 12 Cb 0.40 -0.54 0.39 0.00 -2.33 0.00 0.00 43.42 41.34 1f6r n LEU 12 CO 0.29 0.73 1.18 0.11 -1.33 0.00 0.00 177.39 178.37 1f6r h LYS 13 N 3.17 0.57 0.00 3.23 1.79 -1.61 0.28 116.57 124.02 1f6r h LYS 13 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1f6r h LYS 13 Cb 1.45 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 1f6r h LYS 13 CO 0.25 0.38 0.00 -0.44 -1.08 0.00 0.00 179.45 178.56 1f6r h ASP 14 N 0.59 0.00 0.40 0.86 3.32 -1.88 0.71 116.42 120.42 1f6r h ASP 14 Ca 0.62 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.67 1f6r h ASP 14 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1f6r h ASP 14 CO -0.42 0.00 -0.62 0.18 -1.72 0.00 0.00 179.24 176.65 1f6r n LEU 15 N -2.31 0.61 -4.49 1.55 4.77 0.99 -4.70 117.00 113.42 1f6r n LEU 15 Ca 0.00 -0.10 -0.51 0.00 -0.03 0.00 0.00 56.01 55.38 1f6r n LEU 15 Cb 0.13 -0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 40.96 1f6r n LEU 15 CO 0.15 0.14 1.74 1.17 -1.33 0.00 0.00 177.39 179.27 1f6r n LYS 16 N -1.53 1.22 0.00 3.23 0.00 0.24 -1.15 118.16 120.17 1f6r n LYS 16 Ca 0.05 0.35 0.00 0.00 0.00 0.00 0.00 58.31 58.71 1f6r n LYS 16 Cb 0.34 -2.49 0.00 0.00 0.00 0.00 0.00 35.03 32.88 1f6r n LYS 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1f6r n GLY 17 N 6.16 2.70 3.70 3.14 0.00 0.43 -4.97 105.19 116.35 1f6r n GLY 17 Ca 0.38 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.96 1f6r n GLY 17 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1f6r n TYR 18 N -1.96 2.55 -1.09 1.61 9.36 -0.30 -0.68 117.16 126.66 1f6r n TYR 18 Ca 0.00 0.14 -0.03 0.00 3.32 0.00 0.00 57.90 61.33 1f6r n TYR 18 Cb 0.00 -2.62 -0.01 0.00 -0.63 0.00 0.00 39.34 36.08 1f6r n TYR 18 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1f6r n GLY 19 N 3.72 0.42 1.60 2.98 0.00 -1.26 -2.45 105.19 110.20 1f6r n GLY 19 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1f6r n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f6r n GLY 20 N -0.22 0.55 3.57 -0.02 0.00 0.15 -5.00 105.19 104.21 1f6r n GLY 20 Ca -0.03 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 1f6r n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f6r s VAL 21 N -2.00 3.64 0.48 1.61 0.11 -1.02 -4.96 120.40 118.25 1f6r s VAL 21 Ca 0.00 -0.50 -0.06 0.00 -2.93 0.00 0.00 61.98 58.48 1f6r s VAL 21 Cb 0.00 -2.48 -0.04 0.00 -1.53 0.00 0.00 36.38 32.32 1f6r s VAL 21 CO 0.00 0.59 0.80 -0.94 -3.33 0.00 0.00 175.10 172.22 1f6r s SER 22 N -0.74 6.30 0.14 3.54 1.04 -1.26 -0.43 113.70 122.29 1f6r s SER 22 Ca 0.11 1.00 -0.18 0.00 0.48 0.00 0.00 55.95 57.36 1f6r s SER 22 Cb -0.11 -2.28 -0.00 0.00 0.10 0.00 0.00 66.02 63.73 1f6r s SER 22 CO 0.01 -0.57 1.78 -0.07 0.98 0.00 0.00 173.24 175.37 1f6r h LEU 23 N 0.34 0.25 -1.35 2.42 3.38 -1.94 -2.29 115.31 116.11 1f6r h LEU 23 Ca -0.47 0.01 0.08 0.00 0.09 0.00 0.00 57.88 57.59 1f6r h LEU 23 Cb 1.20 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 1f6r h LEU 23 CO 0.62 0.18 0.50 -0.65 0.09 0.00 0.00 178.44 179.19 1f6r h PRO 24 N 0.33 0.74 -0.71 1.13 0.11 -1.91 0.54 132.00 132.23 1f6r h PRO 24 Ca 0.12 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.21 1f6r h PRO 24 Cb 0.03 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 30.93 1f6r h PRO 24 CO -0.08 0.49 0.46 0.93 -0.21 0.00 0.00 178.00 179.59 1f6r h GLU 25 N 0.76 0.89 -0.39 1.05 5.08 -1.72 -0.92 114.58 119.33 1f6r h GLU 25 Ca 0.34 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.50 1f6r h GLU 25 Cb 0.34 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1f6r h GLU 25 CO -0.12 0.59 -0.33 -1.49 -1.00 0.00 0.00 179.01 176.65 1f6r h TRP 26 N 0.91 1.05 -0.70 4.33 -0.00 -0.79 -0.26 115.95 120.49 1f6r h TRP 26 Ca 0.27 -0.29 -0.07 0.00 -0.00 0.00 0.00 58.89 58.80 1f6r h TRP 26 Cb -0.04 -0.23 -0.03 0.00 -0.00 0.00 0.00 29.16 28.86 1f6r h TRP 26 CO -0.03 1.09 0.16 0.28 -0.00 0.00 0.00 178.44 179.94 1f6r h VAL 27 N 0.74 1.26 -0.10 1.49 2.07 -0.68 -0.65 116.25 120.39 1f6r h VAL 27 Ca 0.07 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 1f6r h VAL 27 Cb 0.90 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1f6r h VAL 27 CO 0.08 0.38 -0.01 0.00 0.02 0.00 0.00 177.57 178.04 1f6r h THR 29 N -0.11 1.09 0.00 0.00 2.02 -0.85 -2.34 112.91 112.72 1f6r h THR 29 Ca 0.03 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 1f6r h THR 29 Cb 0.38 1.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1f6r h THR 29 CO 0.01 0.08 -0.16 0.71 0.37 0.00 0.00 175.52 176.53 1f6r h THR 30 N 0.08 0.81 0.14 3.16 1.35 -1.16 -0.96 112.91 116.32 1f6r h THR 30 Ca 0.04 -0.61 -0.01 0.00 -0.55 0.00 0.00 66.41 65.28 1f6r h THR 30 Cb 0.07 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1f6r h THR 30 CO -0.01 0.15 -0.07 0.15 -0.25 0.00 0.00 175.52 175.50 1f6r h PHE 31 N 0.00 -0.17 0.00 4.73 3.57 -0.91 -0.78 116.94 123.38 1f6r h PHE 31 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1f6r h PHE 31 Cb 0.35 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1f6r h PHE 31 CO 0.00 0.12 0.00 0.72 -2.23 0.00 0.00 178.31 176.92 1f6r n HIS 32 N -5.05 0.00 -0.12 0.41 8.25 -0.93 -0.21 115.22 117.58 1f6r n HIS 32 Ca -0.09 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.13 1f6r n HIS 32 Cb 0.20 -0.45 -0.11 0.00 1.12 0.00 0.00 29.99 30.75 1f6r n HIS 32 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1f6r n THR 33 N -1.45 1.53 -0.55 1.59 -1.04 -0.41 -4.76 114.28 109.19 1f6r n THR 33 Ca 0.05 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 1f6r n THR 33 Cb 0.20 -1.99 0.00 0.00 -1.82 0.00 0.00 70.33 66.72 1f6r n THR 33 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1f6r n SER 34 N -4.36 0.52 -2.48 8.00 3.41 -0.33 -4.90 113.62 113.47 1f6r n SER 34 Ca -0.40 -1.06 -0.20 0.00 -0.26 0.00 0.00 58.87 56.94 1f6r n SER 34 Cb 0.75 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.70 1f6r n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f6r n GLY 35 N -0.03 -0.50 2.34 5.00 0.00 0.71 -1.98 105.19 110.73 1f6r n GLY 35 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1f6r n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1f6r n TYR 36 N -4.01 -0.14 -3.53 1.61 0.53 -1.22 -4.80 117.16 105.61 1f6r n TYR 36 Ca -0.22 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.24 1f6r n TYR 36 Cb 0.67 -2.46 -0.11 0.00 -1.03 0.00 0.00 39.34 36.42 1f6r n TYR 36 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 1f6r s ASP 37 N -2.76 5.97 0.02 7.72 -1.08 -0.84 -1.63 116.67 124.08 1f6r s ASP 37 Ca 0.00 -0.74 0.12 0.00 -0.52 0.00 0.00 52.55 51.40 1f6r s ASP 37 Cb 0.00 -2.11 0.50 0.00 -1.46 0.00 0.00 42.92 39.85 1f6r s ASP 37 CO 0.00 -0.35 1.37 0.35 0.52 0.00 0.00 175.17 177.06 1f6r n THR 38 N 5.10 1.23 -0.95 1.71 -2.24 -0.06 -2.07 114.28 116.99 1f6r n THR 38 Ca -0.12 0.32 0.08 0.00 -2.27 0.00 0.00 64.05 62.07 1f6r n THR 38 Cb 0.48 -1.15 0.25 0.00 -2.10 0.00 0.00 70.33 67.81 1f6r n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f6r n GLN 39 N -1.56 2.86 -2.17 -0.78 6.02 -1.26 -4.16 117.38 116.33 1f6r n GLN 39 Ca 0.02 -2.79 -0.41 0.00 -0.01 0.00 0.00 57.00 53.81 1f6r n GLN 39 Cb 0.13 -1.80 -0.03 0.00 1.02 0.00 0.00 30.24 29.56 1f6r n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1f6r s ALA 40 N -2.73 3.55 -0.10 -1.58 0.00 -0.88 -4.83 121.76 115.19 1f6r s ALA 40 Ca 0.41 1.15 -0.04 0.00 0.00 0.00 0.00 51.96 53.48 1f6r s ALA 40 Cb 0.33 -3.50 0.05 0.00 0.00 0.00 0.00 23.12 20.00 1f6r s ALA 40 CO 0.09 -0.58 0.21 -1.50 0.00 0.00 0.00 175.76 173.98 1f6r s ILE 41 N 0.15 -0.18 -0.23 0.00 2.07 -1.26 -0.57 121.20 121.18 1f6r s ILE 41 Ca 0.58 0.23 0.02 0.00 -1.41 0.00 0.00 60.65 60.06 1f6r s ILE 41 Cb -0.38 -0.35 0.05 0.00 0.13 0.00 0.00 42.46 41.91 1f6r s ILE 41 CO 0.39 0.09 -0.10 -0.69 -1.91 0.00 0.00 174.94 172.72 1f6r s VAL 42 N 1.74 1.86 -0.25 4.00 1.01 -0.56 -4.96 120.40 123.24 1f6r s VAL 42 Ca -0.04 -1.33 -0.11 0.00 0.00 0.00 0.00 61.98 60.50 1f6r s VAL 42 Cb -0.11 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 1f6r s VAL 42 CO -0.07 0.03 0.17 -1.58 0.00 0.00 0.00 175.10 173.65 1f6r s GLN 43 N 1.26 4.04 0.56 2.72 0.74 -1.26 -0.58 119.66 127.14 1f6r s GLN 43 Ca -0.05 -0.28 0.06 0.00 0.05 0.00 0.00 55.36 55.14 1f6r s GLN 43 Cb -0.18 -3.57 0.05 0.00 1.10 0.00 0.00 33.01 30.41 1f6r s GLN 43 CO -0.07 0.00 0.50 -0.80 -0.55 0.00 0.00 175.29 174.38 1f6r s ASN 44 N 1.22 4.73 0.34 6.67 0.01 0.19 -4.98 114.94 123.12 1f6r s ASN 44 Ca 0.08 -1.17 0.06 0.00 -0.71 0.00 0.00 52.86 51.12 1f6r s ASN 44 Cb -0.14 0.43 0.71 0.00 0.41 0.00 0.00 41.25 42.66 1f6r s ASN 44 CO 0.06 -1.18 1.90 -1.13 -1.51 0.00 0.00 177.10 175.24 1f6r h ASN 45 N 0.59 0.74 0.00 -1.22 -1.24 -2.05 -3.30 115.58 109.10 1f6r h ASN 45 Ca -0.35 0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.69 1f6r h ASN 45 Cb 1.30 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.22 1f6r h ASN 45 CO 0.53 0.43 0.00 -0.90 -1.29 0.00 0.00 177.43 176.20 1f6r n ASP 46 N -4.53 0.65 -3.66 1.15 5.68 -1.26 -5.07 116.55 109.51 1f6r n ASP 46 Ca 0.15 -1.30 -0.14 0.00 -0.50 0.00 0.00 54.79 53.01 1f6r n ASP 46 Cb 0.33 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.24 1f6r n ASP 46 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1f6r s SER 47 N -0.30 -0.32 0.01 -1.12 1.04 -1.24 -4.91 113.70 106.85 1f6r s SER 47 Ca 0.00 0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.59 1f6r s SER 47 Cb 0.00 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 1f6r s SER 47 CO 0.00 -0.61 -0.10 -0.89 0.98 0.00 0.00 173.24 172.62 1f6r s THR 48 N -2.04 0.77 -0.06 2.02 2.01 -1.26 0.54 115.64 117.61 1f6r s THR 48 Ca -0.08 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.32 1f6r s THR 48 Cb -0.02 -0.68 -0.03 0.00 0.01 0.00 0.00 72.50 71.78 1f6r s THR 48 CO 0.01 0.07 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.29 1f6r s GLU 49 N -0.61 2.68 0.04 4.92 8.01 0.25 -1.98 118.70 132.01 1f6r s GLU 49 Ca 0.01 -0.63 0.09 0.00 0.01 0.00 0.00 54.97 54.44 1f6r s GLU 49 Cb -0.05 -2.49 -0.03 0.00 -4.31 0.00 0.00 34.13 27.25 1f6r s GLU 49 CO 0.00 0.60 -0.25 0.71 0.01 0.00 0.00 175.26 176.33 1f6r s TYR 50 N -0.66 2.22 0.00 1.61 2.02 -0.31 -1.49 117.35 120.74 1f6r s TYR 50 Ca 0.10 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.39 1f6r s TYR 50 Cb -0.11 -1.34 0.00 0.00 -0.40 0.00 0.00 41.96 40.11 1f6r s TYR 50 CO 0.01 0.11 0.00 0.41 -1.57 0.00 0.00 175.55 174.51 1f6r n GLY 51 N 1.84 -1.10 0.38 0.71 0.00 0.27 -0.85 105.19 106.43 1f6r n GLY 51 Ca -0.17 -1.06 0.15 0.00 0.00 0.00 0.00 46.02 44.94 1f6r n GLY 51 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1f6r h LEU 52 N 0.00 0.61 -1.45 0.99 5.85 -1.72 -1.19 115.31 118.40 1f6r h LEU 52 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1f6r h LEU 52 Cb 0.00 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1f6r h LEU 52 CO 0.00 0.26 -0.09 0.49 -0.34 0.00 0.00 178.44 178.76 1f6r n PHE 53 N -4.60 0.00 -3.60 1.25 3.72 -1.26 -4.06 117.46 108.91 1f6r n PHE 53 Ca 0.20 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.32 1f6r n PHE 53 Cb 0.58 -0.01 0.04 0.00 -0.94 0.00 0.00 39.48 39.15 1f6r n PHE 53 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1f6r n GLN 54 N 0.72 -1.34 -2.77 -1.08 1.13 -0.45 -4.92 117.38 108.67 1f6r n GLN 54 Ca 0.14 0.59 -0.42 0.00 -1.94 0.00 0.00 57.00 55.38 1f6r n GLN 54 Cb 0.50 -4.29 -0.03 0.00 0.11 0.00 0.00 30.24 26.53 1f6r n GLN 54 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1f6r s ILE 55 N -3.39 4.86 0.38 5.09 1.01 -0.03 -4.46 121.20 124.66 1f6r s ILE 55 Ca 0.41 1.91 -0.14 0.00 0.00 0.00 0.00 60.65 62.84 1f6r s ILE 55 Cb -0.14 -4.26 -0.08 0.00 0.01 0.00 0.00 42.46 38.00 1f6r s ILE 55 CO 0.84 0.09 0.80 0.54 0.00 0.00 0.00 174.94 177.21 1f6r s ASN 56 N 1.04 6.68 0.00 3.58 2.20 -1.26 -1.16 114.94 126.02 1f6r s ASN 56 Ca 0.47 1.30 0.11 0.00 -0.94 0.00 0.00 52.86 53.80 1f6r s ASN 56 Cb -0.19 -2.39 0.38 0.00 -2.00 0.00 0.00 41.25 37.06 1f6r s ASN 56 CO 0.20 -0.33 1.29 -0.46 -2.94 0.00 0.00 177.10 174.87 1f6r n ASN 57 N -0.86 1.42 0.00 3.54 6.94 -0.84 -2.86 115.26 122.60 1f6r n ASN 57 Ca 0.04 -1.91 -0.14 0.00 -0.02 0.00 0.00 54.58 52.55 1f6r n ASN 57 Cb 0.54 -0.16 -0.14 0.00 -2.36 0.00 0.00 39.78 37.66 1f6r n ASN 57 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1f6r h LYS 58 N 1.62 0.12 0.00 -3.83 1.79 -1.86 -3.43 116.57 110.97 1f6r h LYS 58 Ca 0.00 -0.20 -0.06 0.00 -2.18 0.00 0.00 60.65 58.21 1f6r h LYS 58 Cb 0.37 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 1f6r h LYS 58 CO 0.00 0.82 -1.19 -0.89 -1.08 0.00 0.00 179.45 177.11 1f6r n ILE 59 N -3.25 0.19 0.03 1.86 5.41 -1.25 -3.09 119.36 119.26 1f6r n ILE 59 Ca -0.21 -0.05 -0.10 0.00 1.00 0.00 0.00 62.75 63.38 1f6r n ILE 59 Cb 1.05 -1.35 -0.13 0.00 -0.71 0.00 0.00 39.64 38.49 1f6r n ILE 59 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1f6r h TRP 60 N -0.10 0.12 -4.46 1.39 4.06 -1.83 -0.28 115.95 114.86 1f6r h TRP 60 Ca -0.08 -0.09 -0.25 0.00 2.06 0.00 0.00 58.89 60.53 1f6r h TRP 60 Cb 1.08 -0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.11 1f6r h TRP 60 CO -0.01 1.11 -0.49 0.00 -3.56 0.00 0.00 178.44 175.49 1f6r s LYS 62 N -3.95 2.57 0.36 0.00 2.20 -0.62 -4.49 119.74 115.83 1f6r s LYS 62 Ca 0.36 -0.67 -0.09 0.00 -0.36 0.00 0.00 55.97 55.21 1f6r s LYS 62 Cb 0.05 -2.48 0.03 0.00 -1.51 0.00 0.00 37.83 33.91 1f6r s LYS 62 CO 0.15 0.62 0.63 0.16 -0.36 0.00 0.00 175.35 176.55 1f6r s ASP 63 N -1.05 0.49 0.57 1.43 1.47 -1.26 -0.12 116.67 118.20 1f6r s ASP 63 Ca 0.14 -1.33 0.34 0.00 1.18 0.00 0.00 52.55 52.89 1f6r s ASP 63 Cb -0.11 0.76 1.71 0.00 -0.34 0.00 0.00 42.92 44.94 1f6r s ASP 63 CO 0.04 -1.49 2.13 0.44 0.68 0.00 0.00 175.17 176.97 1f6r h ASP 64 N 2.05 0.00 -0.05 2.11 5.19 -2.00 -3.09 116.42 120.64 1f6r h ASP 64 Ca -0.30 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.04 1f6r h ASP 64 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1f6r h ASP 64 CO 0.39 0.05 -0.25 -0.61 -3.12 0.00 0.00 179.24 175.71 1f6r h GLN 65 N 0.00 0.26 -2.74 3.56 4.15 -1.97 -3.38 115.11 114.99 1f6r h GLN 65 Ca -0.00 -0.21 -0.61 0.00 0.77 0.00 0.00 58.65 58.60 1f6r h GLN 65 Cb 0.29 0.04 -0.41 0.00 0.21 0.00 0.00 27.48 27.61 1f6r h GLN 65 CO 0.01 0.86 -0.64 0.09 -1.93 0.00 0.00 178.83 177.21 1f6r n ASN 66 N -4.50 2.75 0.28 -0.69 3.02 -1.18 -4.92 115.26 110.02 1f6r n ASN 66 Ca -0.08 -3.17 0.14 0.00 -0.03 0.00 0.00 54.58 51.44 1f6r n ASN 66 Cb 0.46 -0.71 0.80 0.00 -0.61 0.00 0.00 39.78 39.72 1f6r n ASN 66 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1f6r h PRO 67 N 5.04 0.00 -0.79 3.52 0.13 -1.74 -2.12 132.00 136.04 1f6r h PRO 67 Ca 0.17 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.20 1f6r h PRO 67 Cb 0.75 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.82 1f6r h PRO 67 CO 0.70 0.08 0.12 0.72 -0.23 0.00 0.00 178.00 179.40 1f6r n HIS 68 N -3.65 1.64 -1.73 1.56 8.25 -1.26 -4.94 115.22 115.08 1f6r n HIS 68 Ca -0.02 -0.75 -0.38 0.00 -0.26 0.00 0.00 57.72 56.30 1f6r n HIS 68 Cb 0.19 -0.48 0.05 0.00 1.12 0.00 0.00 29.99 30.87 1f6r n HIS 68 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1f6r n SER 69 N 0.15 2.43 0.30 0.41 2.88 -0.80 -4.86 113.62 114.13 1f6r n SER 69 Ca 0.25 0.94 0.18 0.00 -1.33 0.00 0.00 58.87 58.91 1f6r n SER 69 Cb 1.02 -1.56 0.96 0.00 -0.75 0.00 0.00 64.21 63.89 1f6r n SER 69 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1f6r h SER 70 N 1.20 0.00 -6.69 -3.46 4.64 -1.67 -3.46 113.55 104.11 1f6r h SER 70 Ca -0.51 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.28 1f6r h SER 70 Cb 1.32 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.32 1f6r h SER 70 CO 0.56 0.03 -0.93 -3.20 -0.87 0.00 0.00 176.83 172.42 1f6r n ASN 71 N -3.40 -0.54 -0.29 4.97 5.15 -0.24 -4.84 115.26 116.07 1f6r n ASN 71 Ca -0.02 -1.11 0.08 0.00 -0.60 0.00 0.00 54.58 52.92 1f6r n ASN 71 Cb 0.15 -2.53 0.30 0.00 -0.53 0.00 0.00 39.78 37.16 1f6r n ASN 71 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1f6r h ILE 72 N -1.88 0.95 -0.00 -1.44 1.08 -1.17 -0.32 117.51 114.72 1f6r h ILE 72 Ca -0.65 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 63.52 1f6r h ILE 72 Cb 1.38 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 35.13 1f6r h ILE 72 CO 0.63 0.16 -0.00 0.00 -0.69 0.00 0.00 178.15 178.25 1f6r n ASN 74 N -1.03 -1.76 -3.65 0.00 2.85 -0.13 -4.94 115.26 106.60 1f6r n ASN 74 Ca 0.22 -0.87 -0.12 0.00 -0.11 0.00 0.00 54.58 53.70 1f6r n ASN 74 Cb 0.15 -3.88 -0.06 0.00 1.24 0.00 0.00 39.78 37.23 1f6r n ASN 74 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 1f6r s ILE 75 N -3.68 0.06 0.07 -1.44 2.07 -1.26 -5.08 121.20 111.94 1f6r s ILE 75 Ca 0.08 -0.47 -0.30 0.00 -1.41 0.00 0.00 60.65 58.55 1f6r s ILE 75 Cb -0.02 -1.02 -0.05 0.00 0.13 0.00 0.00 42.46 41.50 1f6r s ILE 75 CO 0.83 -0.26 1.03 -0.55 -1.91 0.00 0.00 174.94 174.08 1f6r s SER 76 N -2.23 7.34 0.43 4.50 0.15 -1.26 -1.58 113.70 121.05 1f6r s SER 76 Ca -0.03 1.82 0.19 0.00 0.70 0.00 0.00 55.95 58.63 1f6r s SER 76 Cb -0.00 -2.58 1.13 0.00 -1.71 0.00 0.00 66.02 62.86 1f6r s SER 76 CO -0.05 -0.24 1.87 0.00 1.20 0.00 0.00 173.24 176.02 1f6r n ASP 78 N -4.48 0.00 0.12 0.00 3.85 -1.26 -1.53 116.55 113.25 1f6r n ASP 78 Ca 0.19 0.26 0.12 0.00 -0.71 0.00 0.00 54.79 54.65 1f6r n ASP 78 Cb 0.71 -0.35 0.47 0.00 -1.35 0.00 0.00 41.12 40.60 1f6r n ASP 78 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1f6r n LYS 79 N -1.35 0.19 0.00 0.11 4.76 -0.82 -1.73 118.16 119.32 1f6r n LYS 79 Ca 0.04 0.39 0.15 0.00 -2.87 0.00 0.00 58.31 56.01 1f6r n LYS 79 Cb 0.08 -1.84 0.72 0.00 -1.84 0.00 0.00 35.03 32.15 1f6r n LYS 79 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1f6r n PHE 80 N -2.20 0.00 0.46 2.13 0.99 -0.58 -3.77 117.46 114.48 1f6r n PHE 80 Ca 0.03 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.57 1f6r n PHE 80 Cb 0.25 -0.05 0.13 0.00 -1.00 0.00 0.00 39.48 38.81 1f6r n PHE 80 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1f6r n LEU 81 N -0.59 2.83 0.00 4.37 4.77 -0.71 -3.81 117.00 123.86 1f6r n LEU 81 Ca 0.20 -1.29 -0.24 0.00 -0.03 0.00 0.00 56.01 54.64 1f6r n LEU 81 Cb 0.24 -0.11 0.13 0.00 -2.33 0.00 0.00 43.42 41.34 1f6r n LEU 81 CO 0.19 0.57 0.61 -0.90 -1.33 0.00 0.00 177.39 176.53 1f6r n ASP 82 N 1.08 1.25 0.04 -1.43 5.68 -1.25 -4.44 116.55 117.49 1f6r n ASP 82 Ca 0.13 -2.09 0.13 0.00 -0.50 0.00 0.00 54.79 52.46 1f6r n ASP 82 Cb 0.48 -0.70 0.38 0.00 -1.14 0.00 0.00 41.12 40.14 1f6r n ASP 82 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1f6r n ASP 83 N -3.01 0.49 -4.55 -1.12 8.00 -1.26 -4.64 116.55 110.46 1f6r n ASP 83 Ca 0.17 0.28 -0.43 0.00 0.71 0.00 0.00 54.79 55.53 1f6r n ASP 83 Cb 0.60 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 1f6r n ASP 83 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1f6r s ASP 84 N -3.72 6.40 0.00 -2.24 2.15 -1.26 -4.89 116.67 113.11 1f6r s ASP 84 Ca 0.11 -0.11 0.12 0.00 0.43 0.00 0.00 52.55 53.09 1f6r s ASP 84 Cb 0.15 -2.49 0.69 0.00 -0.30 0.00 0.00 42.92 40.98 1f6r s ASP 84 CO 0.63 -1.32 1.41 0.18 -0.17 0.00 0.00 175.17 175.90 1f6r n LEU 85 N 7.84 0.00 0.11 -1.34 4.77 -1.26 -4.14 117.00 122.98 1f6r n LEU 85 Ca 0.05 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 1f6r n LEU 85 Cb 0.48 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 1f6r n LEU 85 CO 0.67 0.00 0.82 0.74 -1.33 0.00 0.00 177.39 178.29 1f6r h THR 86 N 0.00 0.85 -0.64 -5.08 2.02 -1.95 -1.58 112.91 106.53 1f6r h THR 86 Ca 0.00 -0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1f6r h THR 86 Cb 0.00 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 1f6r h THR 86 CO 0.00 0.00 0.38 -2.24 0.37 0.00 0.00 175.52 174.03 1f6r h ASP 87 N -0.21 0.59 -0.26 4.18 3.04 -1.90 -2.52 116.42 119.34 1f6r h ASP 87 Ca -0.02 0.02 0.05 0.00 -3.24 0.00 0.00 57.03 53.83 1f6r h ASP 87 Cb 0.16 -0.10 -0.05 0.00 -1.04 0.00 0.00 39.33 38.30 1f6r h ASP 87 CO 0.03 0.39 -0.04 0.44 -2.04 0.00 0.00 179.24 178.03 1f6r h ASP 88 N 0.72 -0.19 -0.74 4.15 5.19 -1.76 -2.56 116.42 121.23 1f6r h ASP 88 Ca 0.27 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.73 1f6r h ASP 88 Cb 0.10 0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.72 1f6r h ASP 88 CO -0.14 -0.06 0.37 0.40 -3.12 0.00 0.00 179.24 176.69 1f6r h ILE 89 N 0.03 1.23 -0.39 0.35 2.04 -1.04 0.20 117.51 119.93 1f6r h ILE 89 Ca 0.12 -0.63 0.04 0.00 1.00 0.00 0.00 64.86 65.39 1f6r h ILE 89 Cb 0.18 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 1f6r h ILE 89 CO -0.25 0.27 0.15 -0.03 0.00 0.00 0.00 178.15 178.29 1f6r h MET 90 N 1.03 0.30 -0.25 2.37 4.05 -1.20 -0.25 114.93 120.97 1f6r h MET 90 Ca 0.25 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.63 1f6r h MET 90 Cb 0.09 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 1f6r h MET 90 CO -0.04 0.20 0.04 0.00 0.23 0.00 0.00 176.91 177.35 1f6r h VAL 92 N 0.23 1.00 -0.56 0.00 2.07 -0.60 0.11 116.25 118.50 1f6r h VAL 92 Ca 0.08 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1f6r h VAL 92 Cb 0.33 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 1f6r h VAL 92 CO 0.00 0.19 0.22 0.11 0.02 0.00 0.00 177.57 178.11 1f6r h LYS 93 N 1.04 0.82 -0.58 1.57 1.57 -0.82 0.11 116.57 120.26 1f6r h LYS 93 Ca 0.45 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 59.00 1f6r h LYS 93 Cb 0.33 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1f6r h LYS 93 CO -0.20 0.68 -0.04 0.87 -0.57 0.00 0.00 179.45 180.19 1f6r h LYS 94 N 0.81 1.05 -0.48 3.15 1.79 -0.59 -1.37 116.57 120.93 1f6r h LYS 94 Ca 0.19 -0.35 -0.05 0.00 -2.18 0.00 0.00 60.65 58.26 1f6r h LYS 94 Cb 0.17 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 1f6r h LYS 94 CO -0.02 1.05 0.10 0.82 -1.08 0.00 0.00 179.45 180.33 1f6r h ILE 95 N 0.94 1.24 -0.63 1.86 2.04 -0.40 -1.87 117.51 120.69 1f6r h ILE 95 Ca 0.16 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 1f6r h ILE 95 Cb 0.60 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1f6r h ILE 95 CO 0.04 0.31 0.35 -0.07 0.00 0.00 0.00 178.15 178.78 1f6r h LEU 96 N 0.65 0.78 -0.60 1.44 3.38 -0.64 0.50 115.31 120.82 1f6r h LEU 96 Ca 0.15 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1f6r h LEU 96 Cb 0.35 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1f6r h LEU 96 CO 0.00 0.64 0.37 0.44 0.09 0.00 0.00 178.44 179.98 1f6r h ASP 97 N 0.85 0.70 0.00 -0.43 3.32 -1.04 -1.06 116.42 118.76 1f6r h ASP 97 Ca 0.22 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1f6r h ASP 97 Cb 0.03 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 1f6r h ASP 97 CO -0.04 0.54 -0.06 0.11 -1.72 0.00 0.00 179.24 178.07 1f6r h LYS 98 N 0.81 0.00 0.00 3.56 1.57 -1.04 -3.42 116.57 118.04 1f6r h LYS 98 Ca 0.22 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.91 1f6r h LYS 98 Cb -0.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1f6r h LYS 98 CO -0.04 0.73 -1.81 0.28 -0.57 0.00 0.00 179.45 178.04 1f6r n VAL 99 N -4.65 0.33 0.00 0.50 0.31 0.17 -5.10 118.33 109.90 1f6r n VAL 99 Ca -0.08 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 1f6r n VAL 99 Cb 0.36 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 1f6r n VAL 99 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1f6r n GLY 100 N 1.77 0.64 0.25 2.92 0.00 -0.40 -4.57 105.19 105.81 1f6r n GLY 100 Ca -0.10 -1.89 0.03 0.00 0.00 0.00 0.00 46.02 44.06 1f6r n GLY 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1f6r h ILE 101 N 0.00 1.15 0.00 -0.61 6.09 -1.90 -2.73 117.51 119.51 1f6r h ILE 101 Ca 0.00 -0.61 0.00 0.00 -1.37 0.00 0.00 64.86 62.88 1f6r h ILE 101 Cb 0.00 1.09 0.00 0.00 0.47 0.00 0.00 36.82 38.38 1f6r h ILE 101 CO 0.00 0.20 0.00 0.59 -3.07 0.00 0.00 178.15 175.87 1f6r n ASN 102 N -4.33 0.66 0.13 2.19 3.02 -1.26 -2.06 115.26 113.60 1f6r n ASN 102 Ca -0.00 -1.91 -0.02 0.00 -0.03 0.00 0.00 54.58 52.62 1f6r n ASN 102 Cb 0.22 -0.33 0.20 0.00 -0.61 0.00 0.00 39.78 39.26 1f6r n ASN 102 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1f6r h TYR 103 N 0.03 0.10 -2.96 3.10 3.20 -1.73 -3.36 116.97 115.35 1f6r h TYR 103 Ca 0.00 -0.03 -0.65 0.00 3.14 0.00 0.00 58.73 61.19 1f6r h TYR 103 Cb 0.33 -0.02 -0.16 0.00 1.54 0.00 0.00 36.73 38.42 1f6r h TYR 103 CO 0.00 0.61 0.37 -1.58 -1.64 0.00 0.00 178.16 175.92 1f6r s TRP 104 N -3.80 2.84 0.52 -3.82 0.51 -0.88 -4.92 118.94 109.40 1f6r s TRP 104 Ca -0.02 -0.48 0.23 0.00 -2.12 0.00 0.00 56.10 53.71 1f6r s TRP 104 Cb 0.13 -4.02 1.36 0.00 -0.81 0.00 0.00 33.47 30.12 1f6r s TRP 104 CO 0.77 -1.38 2.01 -0.07 -0.51 0.00 0.00 176.95 177.76 1f6r h LEU 105 N 10.67 0.03 -1.68 2.99 3.38 -1.86 0.55 115.31 129.39 1f6r h LEU 105 Ca -0.28 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1f6r h LEU 105 Cb 1.08 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1f6r h LEU 105 CO 1.10 0.02 -0.18 0.00 0.09 0.00 0.00 178.44 179.47 1f6r h ALA 106 N 1.76 1.63 0.11 1.53 0.00 -1.93 -1.53 119.26 120.84 1f6r h ALA 106 Ca 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1f6r h ALA 106 Cb 0.88 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1f6r h ALA 106 CO -0.01 0.22 -0.05 1.25 0.00 0.00 0.00 179.25 180.66 1f6r h HIS 107 N 0.00 -0.14 -0.73 0.00 -0.00 -1.19 0.35 115.15 113.44 1f6r h HIS 107 Ca -0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.33 1f6r h HIS 107 Cb 0.33 0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 27.75 1f6r h HIS 107 CO 0.00 0.11 0.31 -0.22 -0.00 0.00 0.00 177.93 178.12 1f6r h LYS 108 N -0.38 1.07 0.00 5.26 1.63 -1.56 -0.40 116.57 122.19 1f6r h LYS 108 Ca -0.02 -0.17 -0.11 0.00 -0.85 0.00 0.00 60.65 59.50 1f6r h LYS 108 Cb 0.31 -0.18 0.01 0.00 -0.60 0.00 0.00 32.23 31.77 1f6r h LYS 108 CO 0.03 0.85 -0.42 0.00 -3.45 0.00 0.00 179.45 176.46 1f6r h ALA 109 N 1.29 0.05 0.00 5.00 0.00 -1.14 -3.42 119.26 121.04 1f6r h ALA 109 Ca 0.25 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1f6r h ALA 109 Cb 0.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1f6r h ALA 109 CO -0.02 0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.72 1f6r n LEU 110 N -4.37 0.59 -1.31 0.00 4.77 0.12 -4.83 117.00 111.97 1f6r n LEU 110 Ca -0.10 -0.73 0.01 0.00 -0.03 0.00 0.00 56.01 55.16 1f6r n LEU 110 Cb 0.59 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.78 1f6r n LEU 110 CO 0.43 0.15 0.20 0.00 -1.33 0.00 0.00 177.39 176.83 1f6r n SER 112 N -0.46 2.90 -3.68 0.00 7.64 -1.08 -4.76 113.62 114.18 1f6r n SER 112 Ca 0.17 -1.85 -0.02 0.00 1.01 0.00 0.00 58.87 58.17 1f6r n SER 112 Cb 0.89 -0.17 -0.01 0.00 -1.01 0.00 0.00 64.21 63.91 1f6r n SER 112 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1f6r s GLU 113 N -1.23 0.88 -1.58 1.43 -1.05 -1.26 -4.96 118.70 110.92 1f6r s GLU 113 Ca 0.27 -0.47 -0.03 0.00 -0.15 0.00 0.00 54.97 54.60 1f6r s GLU 113 Cb 0.16 0.31 0.01 0.00 -0.44 0.00 0.00 34.13 34.17 1f6r s GLU 113 CO 0.23 -0.40 0.28 1.63 0.95 0.00 0.00 175.26 177.95 1f6r n LYS 114 N -0.44 -3.16 0.10 -4.83 5.02 -1.26 -4.84 118.16 108.76 1f6r n LYS 114 Ca -0.07 0.89 0.10 0.00 -2.02 0.00 0.00 58.31 57.22 1f6r n LYS 114 Cb 0.61 -5.63 0.44 0.00 -0.02 0.00 0.00 35.03 30.43 1f6r n LYS 114 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1f6r n LEU 115 N -3.45 0.48 -0.34 -0.35 4.77 -1.26 -3.48 117.00 113.36 1f6r n LEU 115 Ca -0.17 0.63 0.27 0.00 -0.03 0.00 0.00 56.01 56.71 1f6r n LEU 115 Cb 0.64 -0.57 0.57 0.00 -2.33 0.00 0.00 43.42 41.73 1f6r n LEU 115 CO 0.37 -0.51 1.24 -2.24 -1.33 0.00 0.00 177.39 174.91 1f6r h ASP 116 N 0.00 0.34 0.00 -1.43 2.03 -1.98 0.28 116.42 115.67 1f6r h ASP 116 Ca 0.00 0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.38 1f6r h ASP 116 Cb 0.30 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.83 1f6r h ASP 116 CO 0.00 0.02 0.00 0.00 -1.03 0.00 0.00 179.24 178.23 1f6r n GLN 117 N -4.57 0.88 -0.41 4.15 10.64 -1.23 -2.53 117.38 124.32 1f6r n GLN 117 Ca 0.27 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.52 1f6r n GLN 117 Cb 1.04 -1.39 0.25 0.00 -0.86 0.00 0.00 30.24 29.27 1f6r n GLN 117 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 1f6r n TRP 118 N -0.89 0.93 -3.14 2.61 7.02 1.00 -5.00 117.44 119.96 1f6r n TRP 118 Ca 0.17 -0.71 -0.33 0.00 -1.02 0.00 0.00 57.50 55.60 1f6r n TRP 118 Cb 0.08 -0.22 -0.06 0.00 -2.42 0.00 0.00 31.31 28.68 1f6r n TRP 118 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1f6r s LEU 119 N -2.11 4.10 -0.13 -0.99 2.01 -1.05 -4.58 118.68 115.93 1f6r s LEU 119 Ca 0.38 1.29 -0.03 0.00 0.01 0.00 0.00 54.13 55.78 1f6r s LEU 119 Cb 0.27 -4.01 0.05 0.00 0.01 0.00 0.00 46.19 42.51 1f6r s LEU 119 CO 0.14 -0.17 0.05 0.00 1.01 0.00 0.00 176.35 177.37 1f6r s GLU 121 N 2.05 4.60 0.00 0.00 2.56 -1.26 -3.08 118.70 123.57 1f6r s GLU 121 Ca 0.03 1.29 0.00 0.00 0.00 0.00 0.00 54.97 56.28 1f6r s GLU 121 Cb -0.15 -2.97 0.00 0.00 2.00 0.00 0.00 34.13 33.01 1f6r s GLU 121 CO -0.07 0.38 0.00 1.63 -0.56 0.00 0.00 175.26 176.65 1f6r n LYS 122 N 0.91 0.00 -0.75 4.30 4.01 -1.26 -5.22 118.16 120.16 1f6r n LYS 122 Ca -0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1f6r n LYS 122 Cb 0.49 -2.43 0.00 0.00 -0.51 0.00 0.00 35.03 32.59 1f6r n LYS 122 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18