#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 3.78 0.29 5.31 -1.52 -1.26 -1.34 119.66 124.92 1f6r s GLN 2 Ca 0.00 0.08 0.01 0.00 -1.95 0.00 0.00 55.36 53.50 1f6r s GLN 2 Cb 0.00 -3.76 -0.04 0.00 -0.22 0.00 0.00 33.01 28.99 1f6r s GLN 2 CO 0.00 -0.59 0.48 -0.51 -0.25 0.00 0.00 175.29 174.41 1f6r s LEU 3 N 2.49 4.13 0.32 2.90 1.43 -0.55 -5.02 118.68 124.37 1f6r s LEU 3 Ca 0.22 0.37 0.07 0.00 -1.03 0.00 0.00 54.13 53.75 1f6r s LEU 3 Cb -0.15 -3.20 -0.02 0.00 0.03 0.00 0.00 46.19 42.85 1f6r s LEU 3 CO 0.13 -0.19 0.38 0.42 0.23 0.00 0.00 176.35 177.31 1f6r s THR 4 N -2.14 4.08 0.53 5.49 -4.23 -1.26 -4.77 115.64 113.34 1f6r s THR 4 Ca 0.39 -1.15 0.41 0.00 -1.18 0.00 0.00 61.69 60.16 1f6r s THR 4 Cb -0.10 -3.39 0.62 0.00 1.34 0.00 0.00 72.50 70.97 1f6r s THR 4 CO 0.33 -0.20 1.67 0.50 -0.54 0.00 0.00 174.62 176.38 1f6r h LYS 5 N 1.09 0.03 0.08 3.99 3.64 -1.98 -1.36 116.57 122.05 1f6r h LYS 5 Ca -0.46 -0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.61 1f6r h LYS 5 Cb 1.25 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 1f6r h LYS 5 CO 0.56 0.02 -1.61 0.00 -2.27 0.00 0.00 179.45 176.15 1f6r h GLU 7 N 0.05 0.96 -0.38 0.00 5.08 -1.63 -2.57 114.58 116.09 1f6r h GLU 7 Ca -0.26 -0.22 0.06 0.00 -1.00 0.00 0.00 59.36 57.93 1f6r h GLU 7 Cb 2.00 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 31.07 1f6r h GLU 7 CO 0.13 0.87 0.07 0.28 -1.00 0.00 0.00 179.01 179.35 1f6r h VAL 8 N 0.91 0.80 -0.77 3.13 2.07 -1.63 0.91 116.25 121.67 1f6r h VAL 8 Ca 0.19 -0.06 0.14 0.00 0.82 0.00 0.00 66.70 67.79 1f6r h VAL 8 Cb 0.35 0.59 -0.09 0.00 -1.52 0.00 0.00 31.29 30.62 1f6r h VAL 8 CO 0.00 0.03 0.34 -0.26 0.02 0.00 0.00 177.57 177.71 1f6r h PHE 9 N 0.19 0.60 0.83 1.57 -1.00 -1.54 0.17 116.94 117.75 1f6r h PHE 9 Ca 0.18 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.96 1f6r h PHE 9 Cb 0.22 -0.15 0.01 0.00 3.61 0.00 0.00 35.95 39.64 1f6r h PHE 9 CO -0.20 0.11 -0.40 0.00 -1.61 0.00 0.00 178.31 176.22 1f6r h ARG 10 N 0.51 -1.07 -0.08 1.51 2.47 -1.05 -3.20 114.38 113.47 1f6r h ARG 10 Ca 0.42 0.07 0.02 0.00 -1.26 0.00 0.00 59.98 59.24 1f6r h ARG 10 Cb 0.61 0.24 -0.00 0.00 -1.65 0.00 0.00 29.97 29.17 1f6r h ARG 10 CO -0.38 -0.71 0.06 0.93 0.56 0.00 0.00 179.97 180.43 1f6r h GLU 11 N -1.27 0.00 -0.65 0.04 4.39 -0.47 -2.65 114.58 113.97 1f6r h GLU 11 Ca -0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1f6r h GLU 11 Cb 0.85 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1f6r h GLU 11 CO 0.19 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.32 1f6r n LEU 12 N -4.41 4.16 -0.25 1.33 4.77 0.01 -4.57 117.00 118.05 1f6r n LEU 12 Ca -0.01 -2.09 0.05 0.00 -0.03 0.00 0.00 56.01 53.92 1f6r n LEU 12 Cb 0.17 -0.52 0.15 0.00 -2.33 0.00 0.00 43.42 40.89 1f6r n LEU 12 CO 0.33 0.78 0.85 0.50 -1.33 0.00 0.00 177.39 178.52 1f6r h LYS 13 N 3.77 0.13 0.00 3.23 1.63 -1.46 0.15 116.57 124.02 1f6r h LYS 13 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1f6r h LYS 13 Cb 1.22 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1f6r h LYS 13 CO 0.16 0.09 0.18 -0.44 -3.45 0.00 0.00 179.45 175.98 1f6r h ASP 14 N 0.14 0.00 0.61 4.20 3.32 -1.86 0.09 116.42 122.92 1f6r h ASP 14 Ca 0.40 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.28 1f6r h ASP 14 Cb 0.69 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 1f6r h ASP 14 CO -0.61 0.00 -1.51 0.18 -1.72 0.00 0.00 179.24 175.58 1f6r n LEU 15 N -2.62 0.74 -4.24 1.55 4.77 0.52 -4.82 117.00 112.91 1f6r n LEU 15 Ca -0.02 0.33 -0.57 0.00 -0.03 0.00 0.00 56.01 55.71 1f6r n LEU 15 Cb 0.22 0.10 -0.08 0.00 -2.33 0.00 0.00 43.42 41.33 1f6r n LEU 15 CO 0.13 0.15 0.70 1.17 -1.33 0.00 0.00 177.39 178.21 1f6r n LYS 16 N -2.83 0.00 0.00 3.23 4.81 0.01 0.39 118.16 123.77 1f6r n LYS 16 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 1f6r n LYS 16 Cb 0.84 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 34.50 1f6r n LYS 16 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1f6r n GLY 17 N 2.14 1.85 3.69 3.14 0.00 -0.28 -4.96 105.19 110.78 1f6r n GLY 17 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1f6r n GLY 17 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1f6r s TYR 18 N -1.66 2.72 -0.71 1.61 5.04 0.16 -1.59 117.35 122.92 1f6r s TYR 18 Ca 0.00 0.64 0.00 0.00 -2.44 0.00 0.00 57.07 55.27 1f6r s TYR 18 Cb 0.00 -3.78 0.00 0.00 0.35 0.00 0.00 41.96 38.53 1f6r s TYR 18 CO 0.00 -3.00 0.00 0.41 -1.34 0.00 0.00 175.55 171.62 1f6r n GLY 19 N 3.77 0.87 2.84 8.97 0.00 -1.26 -2.62 105.19 117.75 1f6r n GLY 19 Ca 0.14 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.77 0.81 3.74 -0.02 0.00 -0.62 -4.91 105.19 102.42 1f6r n GLY 20 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.32 5.26 0.61 1.61 0.11 -1.08 -4.91 120.40 118.69 1f6r s VAL 21 Ca 0.00 0.65 -0.09 0.00 -2.93 0.00 0.00 61.98 59.62 1f6r s VAL 21 Cb 0.00 -3.67 -0.01 0.00 -1.53 0.00 0.00 36.38 31.16 1f6r s VAL 21 CO 0.00 0.40 0.96 -0.94 -3.33 0.00 0.00 175.10 172.19 1f6r s SER 22 N 0.31 5.87 0.16 3.54 1.04 -1.26 -1.13 113.70 122.24 1f6r s SER 22 Ca 0.19 1.06 -0.15 0.00 0.48 0.00 0.00 55.95 57.53 1f6r s SER 22 Cb -0.14 -2.09 0.05 0.00 0.10 0.00 0.00 66.02 63.95 1f6r s SER 22 CO 0.06 -0.98 1.79 -0.07 0.98 0.00 0.00 173.24 175.03 1f6r h LEU 23 N -0.26 0.37 -2.08 2.42 3.38 -1.95 -2.22 115.31 114.97 1f6r h LEU 23 Ca -0.45 0.01 0.09 0.00 0.09 0.00 0.00 57.88 57.62 1f6r h LEU 23 Cb 1.23 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1f6r h LEU 23 CO 0.62 0.26 0.26 -0.65 0.09 0.00 0.00 178.44 179.02 1f6r h PRO 24 N 0.47 0.00 -0.17 1.13 0.11 -1.91 0.21 132.00 131.84 1f6r h PRO 24 Ca 0.17 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.08 1f6r h PRO 24 Cb 0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.14 1f6r h PRO 24 CO -0.09 0.00 -0.68 0.93 -0.21 0.00 0.00 178.00 177.95 1f6r h GLU 25 N 0.00 0.68 -0.18 1.05 5.08 -1.72 -2.07 114.58 117.42 1f6r h GLU 25 Ca 0.15 -0.50 -0.15 0.00 -1.00 0.00 0.00 59.36 57.85 1f6r h GLU 25 Cb 0.66 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1f6r h GLU 25 CO -0.00 1.12 -0.53 -1.49 -1.00 0.00 0.00 179.01 177.11 1f6r h TRP 26 N 0.49 0.66 -0.52 4.33 -0.00 -0.75 0.18 115.95 120.34 1f6r h TRP 26 Ca -0.02 -0.23 -0.10 0.00 -0.00 0.00 0.00 58.89 58.54 1f6r h TRP 26 Cb 1.27 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.16 30.29 1f6r h TRP 26 CO 0.07 0.94 -0.08 0.28 -0.00 0.00 0.00 178.44 179.65 1f6r h VAL 27 N 0.41 1.27 -0.03 1.49 2.07 -0.65 -0.38 116.25 120.43 1f6r h VAL 27 Ca 0.01 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 1f6r h VAL 27 Cb 1.06 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1f6r h VAL 27 CO 0.10 0.43 -0.02 0.00 0.02 0.00 0.00 177.57 178.10 1f6r h THR 29 N -0.35 0.90 0.00 0.00 2.02 -0.53 -2.01 112.91 112.94 1f6r h THR 29 Ca 0.01 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1f6r h THR 29 Cb 0.47 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1f6r h THR 29 CO 0.01 0.01 -0.06 0.71 0.37 0.00 0.00 175.52 176.56 1f6r h THR 30 N 0.06 0.19 -0.20 3.16 1.35 -1.12 -0.81 112.91 115.54 1f6r h THR 30 Ca 0.07 -0.54 -0.08 0.00 -0.55 0.00 0.00 66.41 65.31 1f6r h THR 30 Cb 0.09 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 67.95 1f6r h THR 30 CO -0.12 0.06 -0.18 0.15 -0.25 0.00 0.00 175.52 175.18 1f6r h PHE 31 N 0.00 0.57 0.00 4.73 3.57 -0.81 -1.07 116.94 123.93 1f6r h PHE 31 Ca -0.00 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.31 1f6r h PHE 31 Cb 0.44 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 1f6r h PHE 31 CO 0.00 0.82 -0.12 0.45 -2.23 0.00 0.00 178.31 177.23 1f6r h HIS 32 N 0.15 0.00 0.00 0.41 3.86 -1.11 0.32 115.15 118.78 1f6r h HIS 32 Ca 0.03 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1f6r h HIS 32 Cb 0.72 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.18 1f6r h HIS 32 CO 0.08 0.12 -0.05 1.15 0.86 0.00 0.00 177.93 180.08 1f6r h THR 33 N 0.00 1.07 0.00 2.45 2.02 -1.04 -3.44 112.91 113.96 1f6r h THR 33 Ca -0.00 -1.82 0.00 0.00 0.77 0.00 0.00 66.41 65.36 1f6r h THR 33 Cb 0.73 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 1f6r h THR 33 CO 0.02 0.36 0.00 -1.54 0.37 0.00 0.00 175.52 174.73 1f6r n SER 34 N -4.67 0.29 -1.52 4.18 3.41 -0.43 -4.89 113.62 110.00 1f6r n SER 34 Ca -0.07 -1.06 -0.15 0.00 -0.26 0.00 0.00 58.87 57.32 1f6r n SER 34 Cb 0.30 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 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 0.42 2.35 5.00 0.00 0.10 -2.11 105.19 110.93 1f6r n GLY 35 Ca 0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.46 -0.01 -3.50 1.61 0.53 -1.23 -4.80 117.16 106.30 1f6r n TYR 36 Ca -0.17 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.31 1f6r n TYR 36 Cb 0.59 -2.23 -0.10 0.00 -1.03 0.00 0.00 39.34 36.56 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 -2.87 6.09 0.00 7.72 2.15 -0.90 -1.48 116.67 127.39 1f6r s ASP 37 Ca 0.00 -0.36 0.24 0.00 0.43 0.00 0.00 52.55 52.86 1f6r s ASP 37 Cb 0.00 -2.15 1.31 0.00 -0.30 0.00 0.00 42.92 41.78 1f6r s ASP 37 CO 0.00 -0.26 1.78 0.35 -0.17 0.00 0.00 175.17 176.88 1f6r n THR 38 N 5.14 0.13 -0.29 1.71 -2.24 -0.45 -2.36 114.28 115.92 1f6r n THR 38 Ca -0.12 0.03 0.05 0.00 -2.27 0.00 0.00 64.05 61.75 1f6r n THR 38 Cb 0.50 -0.65 0.14 0.00 -2.10 0.00 0.00 70.33 68.21 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 -1.13 2.85 -1.71 -0.78 6.02 -1.26 -4.05 117.38 117.33 1f6r n GLN 39 Ca 0.15 -2.08 -0.42 0.00 -0.01 0.00 0.00 57.00 54.63 1f6r n GLN 39 Cb 0.13 -1.31 -0.01 0.00 1.02 0.00 0.00 30.24 30.07 1f6r n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1f6r n ALA 40 N 0.13 1.42 -3.66 -1.58 0.00 -0.99 -4.74 120.51 111.08 1f6r n ALA 40 Ca 0.11 0.36 -0.08 0.00 0.00 0.00 0.00 53.44 53.83 1f6r n ALA 40 Cb 0.47 -2.28 -0.09 0.00 0.00 0.00 0.00 19.45 17.55 1f6r n ALA 40 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1f6r s ILE 41 N -1.01 -0.53 -0.24 0.00 2.07 -1.26 0.05 121.20 120.27 1f6r s ILE 41 Ca 0.56 0.13 0.01 0.00 -1.41 0.00 0.00 60.65 59.94 1f6r s ILE 41 Cb -0.56 -0.71 0.04 0.00 0.13 0.00 0.00 42.46 41.36 1f6r s ILE 41 CO 0.61 0.05 -0.12 -0.69 -1.91 0.00 0.00 174.94 172.89 1f6r s VAL 42 N 2.36 2.31 -0.22 4.00 1.01 -0.37 -4.97 120.40 124.52 1f6r s VAL 42 Ca -0.04 -1.34 -0.06 0.00 0.00 0.00 0.00 61.98 60.53 1f6r s VAL 42 Cb -0.11 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 1f6r s VAL 42 CO -0.14 0.15 0.03 -1.58 0.00 0.00 0.00 175.10 173.56 1f6r s GLN 43 N 1.20 3.67 0.45 2.72 0.74 -1.26 -0.34 119.66 126.83 1f6r s GLN 43 Ca -0.04 -0.48 0.04 0.00 0.05 0.00 0.00 55.36 54.93 1f6r s GLN 43 Cb -0.18 -3.19 0.04 0.00 1.10 0.00 0.00 33.01 30.78 1f6r s GLN 43 CO -0.07 -0.04 0.33 0.09 -0.55 0.00 0.00 175.29 175.06 1f6r n ASN 44 N 4.42 2.46 -0.08 6.67 4.13 0.11 -5.00 115.26 127.98 1f6r n ASN 44 Ca -0.17 -2.56 -0.08 0.00 1.68 0.00 0.00 54.58 53.45 1f6r n ASN 44 Cb 0.52 -0.03 -0.01 0.00 -1.54 0.00 0.00 39.78 38.72 1f6r n ASN 44 CO 0.00 0.00 0.00 -1.13 0.28 0.00 0.00 177.26 176.41 1f6r h ASN 45 N 0.55 0.17 0.00 6.41 -1.24 -2.05 -3.35 115.58 116.06 1f6r h ASN 45 Ca -0.29 0.02 -0.30 0.00 0.71 0.00 0.00 56.30 56.44 1f6r h ASN 45 Cb 1.05 -0.01 -0.06 0.00 0.73 0.00 0.00 38.32 40.03 1f6r h ASN 45 CO 0.45 0.14 -2.14 0.47 -1.29 0.00 0.00 177.43 175.05 1f6r n ASP 46 N -4.99 1.69 -4.76 1.15 8.00 -1.26 -5.04 116.55 111.34 1f6r n ASP 46 Ca -0.01 -0.05 -0.26 0.00 0.71 0.00 0.00 54.79 55.18 1f6r n ASP 46 Cb 0.08 0.30 -0.07 0.00 -0.02 0.00 0.00 41.12 41.41 1f6r n ASP 46 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1f6r s SER 47 N -5.49 4.39 -0.13 -2.24 1.04 -1.26 -4.93 113.70 105.09 1f6r s SER 47 Ca -0.18 -1.18 -0.10 0.00 0.48 0.00 0.00 55.95 54.97 1f6r s SER 47 Cb 0.06 -0.25 0.04 0.00 0.10 0.00 0.00 66.02 65.97 1f6r s SER 47 CO 0.57 -0.65 0.34 -0.89 0.98 0.00 0.00 173.24 173.59 1f6r s THR 48 N -2.66 -0.01 -0.09 2.02 2.01 -1.26 -0.71 115.64 114.95 1f6r s THR 48 Ca 0.36 0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.41 1f6r s THR 48 Cb 0.03 -0.48 -0.02 0.00 0.01 0.00 0.00 72.50 72.04 1f6r s THR 48 CO 0.20 0.01 -0.13 -1.83 -0.69 0.00 0.00 174.62 172.19 1f6r s GLU 49 N 0.53 2.93 0.02 4.92 1.03 0.53 -1.85 118.70 126.81 1f6r s GLU 49 Ca -0.03 -0.67 0.05 0.00 0.03 0.00 0.00 54.97 54.35 1f6r s GLU 49 Cb -0.04 -2.52 -0.03 0.00 -0.80 0.00 0.00 34.13 30.74 1f6r s GLU 49 CO -0.03 0.45 -0.13 0.71 -1.33 0.00 0.00 175.26 174.93 1f6r s TYR 50 N -0.26 2.71 0.01 4.83 2.02 -0.02 -1.23 117.35 125.40 1f6r s TYR 50 Ca 0.02 -0.16 0.00 0.00 -0.37 0.00 0.00 57.07 56.56 1f6r s TYR 50 Cb -0.13 -1.54 0.00 0.00 -0.40 0.00 0.00 41.96 39.89 1f6r s TYR 50 CO 0.03 0.29 0.00 0.41 -1.57 0.00 0.00 175.55 174.71 1f6r n GLY 51 N 1.64 -1.37 0.36 0.71 0.00 0.11 -1.34 105.19 105.29 1f6r n GLY 51 Ca -0.16 -1.15 0.07 0.00 0.00 0.00 0.00 46.02 44.78 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 0.75 -0.81 0.99 5.85 -1.70 -1.60 115.31 118.79 1f6r h LEU 52 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1f6r h LEU 52 Cb 0.02 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.91 1f6r h LEU 52 CO 0.00 0.46 -0.27 0.49 -0.34 0.00 0.00 178.44 178.78 1f6r n PHE 53 N -4.50 0.00 -3.64 1.25 3.72 -1.26 -4.04 117.46 108.99 1f6r n PHE 53 Ca 0.13 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.24 1f6r n PHE 53 Cb 0.27 -0.06 0.04 0.00 -0.94 0.00 0.00 39.48 38.79 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 -0.21 -1.65 -2.74 -1.08 1.13 -0.60 -4.94 117.38 107.29 1f6r n GLN 54 Ca 0.12 0.52 -0.42 0.00 -1.94 0.00 0.00 57.00 55.28 1f6r n GLN 54 Cb 0.40 -4.42 -0.03 0.00 0.11 0.00 0.00 30.24 26.31 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 -3.49 4.86 0.37 5.09 1.01 -0.45 -4.45 121.20 124.15 1f6r s ILE 55 Ca 0.43 1.98 -0.13 0.00 0.00 0.00 0.00 60.65 62.93 1f6r s ILE 55 Cb -0.14 -4.29 -0.08 0.00 0.01 0.00 0.00 42.46 37.97 1f6r s ILE 55 CO 0.84 0.12 0.76 0.54 0.00 0.00 0.00 174.94 177.20 1f6r s ASN 56 N 1.02 6.65 0.00 3.58 2.20 -1.26 -0.84 114.94 126.29 1f6r s ASN 56 Ca 0.49 1.22 0.07 0.00 -0.94 0.00 0.00 52.86 53.70 1f6r s ASN 56 Cb -0.20 -2.35 0.27 0.00 -2.00 0.00 0.00 41.25 36.97 1f6r s ASN 56 CO 0.24 -0.31 1.20 -0.46 -2.94 0.00 0.00 177.10 174.83 1f6r n ASN 57 N -0.84 0.80 -0.01 3.54 6.94 -0.77 -2.83 115.26 122.08 1f6r n ASN 57 Ca 0.03 -1.92 -0.21 0.00 -0.02 0.00 0.00 54.58 52.46 1f6r n ASN 57 Cb 0.54 -0.09 -0.14 0.00 -2.36 0.00 0.00 39.78 37.73 1f6r n ASN 57 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1f6r n LYS 58 N -0.10 0.74 -0.04 -3.83 4.76 -1.26 -4.62 118.16 113.81 1f6r n LYS 58 Ca 0.07 0.26 -0.07 0.00 -2.87 0.00 0.00 58.31 55.69 1f6r n LYS 58 Cb 0.14 -1.69 -0.03 0.00 -1.84 0.00 0.00 35.03 31.61 1f6r n LYS 58 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1f6r n ILE 59 N -3.48 0.44 0.03 -0.18 5.41 -1.25 -3.22 119.36 117.11 1f6r n ILE 59 Ca -0.34 -0.14 -0.13 0.00 1.00 0.00 0.00 62.75 63.14 1f6r n ILE 59 Cb 1.03 -1.13 -0.14 0.00 -0.71 0.00 0.00 39.64 38.69 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 -0.13 0.23 -4.26 1.39 4.06 -1.82 -0.98 115.95 114.44 1f6r h TRP 60 Ca -0.19 -0.17 -0.14 0.00 2.06 0.00 0.00 58.89 60.45 1f6r h TRP 60 Cb 1.23 -0.01 -0.15 0.00 -1.00 0.00 0.00 29.16 29.23 1f6r h TRP 60 CO -0.01 1.23 -0.61 0.00 -3.56 0.00 0.00 178.44 175.49 1f6r s LYS 62 N -3.97 3.99 0.39 0.00 2.20 -0.47 -4.42 119.74 117.46 1f6r s LYS 62 Ca 0.15 0.50 0.04 0.00 -0.36 0.00 0.00 55.97 56.30 1f6r s LYS 62 Cb 0.07 -3.16 -0.02 0.00 -1.51 0.00 0.00 37.83 33.21 1f6r s LYS 62 CO -0.04 0.63 0.16 0.34 -0.36 0.00 0.00 175.35 176.08 1f6r s ASP 63 N -1.25 2.54 0.01 1.43 3.68 -1.20 -1.41 116.67 120.47 1f6r s ASP 63 Ca 0.28 -1.70 0.13 0.00 2.13 0.00 0.00 52.55 53.39 1f6r s ASP 63 Cb -0.17 0.53 -0.20 0.00 -1.45 0.00 0.00 42.92 41.63 1f6r s ASP 63 CO 0.16 -0.97 0.82 0.44 0.13 0.00 0.00 175.17 175.76 1f6r h ASP 64 N 1.86 0.00 -0.02 -0.34 3.32 -1.98 -2.82 116.42 116.43 1f6r h ASP 64 Ca -0.33 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.66 1f6r h ASP 64 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1f6r h ASP 64 CO 0.52 0.90 -0.22 -0.61 -1.72 0.00 0.00 179.24 178.12 1f6r h GLN 65 N 0.00 0.19 -2.22 3.56 4.15 -1.98 -3.39 115.11 115.43 1f6r h GLN 65 Ca -0.21 -0.17 -0.60 0.00 0.77 0.00 0.00 58.65 58.44 1f6r h GLN 65 Cb 1.87 0.04 -0.42 0.00 0.21 0.00 0.00 27.48 29.18 1f6r h GLN 65 CO 0.08 0.86 -0.59 0.09 -1.93 0.00 0.00 178.83 177.33 1f6r n ASN 66 N -4.54 3.74 0.24 -0.69 3.02 -1.25 -4.92 115.26 110.86 1f6r n ASN 66 Ca -0.09 -3.44 0.08 0.00 -0.03 0.00 0.00 54.58 51.10 1f6r n ASN 66 Cb 0.46 -0.67 0.63 0.00 -0.61 0.00 0.00 39.78 39.59 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 4.21 0.03 -0.50 3.52 0.13 -1.70 -1.66 132.00 136.03 1f6r h PRO 67 Ca 0.20 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1f6r h PRO 67 Cb 0.66 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1f6r h PRO 67 CO 0.83 0.02 0.00 0.72 -0.23 0.00 0.00 178.00 179.34 1f6r n HIS 68 N -4.53 0.68 -1.50 1.56 8.25 -1.26 -4.81 115.22 113.60 1f6r n HIS 68 Ca -0.02 -0.29 -0.40 0.00 -0.26 0.00 0.00 57.72 56.75 1f6r n HIS 68 Cb 0.11 -0.09 0.03 0.00 1.12 0.00 0.00 29.99 31.16 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 0.56 -0.44 0.01 0.41 2.88 -0.63 -4.76 113.62 111.66 1f6r n SER 69 Ca 0.13 0.85 0.05 0.00 -1.33 0.00 0.00 58.87 58.57 1f6r n SER 69 Cb 0.44 -1.21 0.21 0.00 -0.75 0.00 0.00 64.21 62.91 1f6r n SER 69 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1f6r n SER 70 N 0.62 0.05 -4.12 -3.46 3.41 -1.20 -4.86 113.62 104.07 1f6r n SER 70 Ca 0.11 0.52 -0.28 0.00 -0.26 0.00 0.00 58.87 58.96 1f6r n SER 70 Cb 0.44 -0.53 -0.08 0.00 -0.26 0.00 0.00 64.21 63.77 1f6r n SER 70 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1f6r n ASN 71 N -1.56 0.65 -0.22 4.04 5.15 -0.98 -4.80 115.26 117.54 1f6r n ASN 71 Ca 0.02 -1.14 0.18 0.00 -0.60 0.00 0.00 54.58 53.04 1f6r n ASN 71 Cb 0.10 -1.42 0.52 0.00 -0.53 0.00 0.00 39.78 38.45 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 -1.51 0.71 -0.09 -1.44 1.08 -1.19 0.40 117.51 115.46 1f6r h ILE 72 Ca -0.59 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 1f6r h ILE 72 Cb 1.25 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 35.28 1f6r h ILE 72 CO 0.63 0.07 0.00 0.00 -0.69 0.00 0.00 178.15 178.16 1f6r n ASN 74 N -0.14 -4.84 -3.51 0.00 5.15 0.14 -4.96 115.26 107.10 1f6r n ASN 74 Ca 0.15 -1.11 -0.14 0.00 -0.60 0.00 0.00 54.58 52.89 1f6r n ASN 74 Cb 0.22 -2.47 -0.04 0.00 -0.53 0.00 0.00 39.78 36.96 1f6r n ASN 74 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1f6r s ILE 75 N -3.42 0.00 0.02 -1.44 2.07 -1.26 -5.07 121.20 112.10 1f6r s ILE 75 Ca 0.41 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.35 1f6r s ILE 75 Cb -0.19 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.36 1f6r s ILE 75 CO 0.91 0.00 1.09 -0.55 -1.91 0.00 0.00 174.94 174.48 1f6r s SER 76 N -1.70 7.22 0.43 4.50 0.15 -1.26 -1.37 113.70 121.66 1f6r s SER 76 Ca -0.04 1.82 0.19 0.00 0.70 0.00 0.00 55.95 58.62 1f6r s SER 76 Cb -0.00 -2.57 1.13 0.00 -1.71 0.00 0.00 66.02 62.87 1f6r s SER 76 CO 0.01 -0.38 1.84 0.00 1.20 0.00 0.00 173.24 175.91 1f6r n ASP 78 N -4.50 0.00 0.00 0.00 5.75 -1.26 -1.16 116.55 115.37 1f6r n ASP 78 Ca 0.21 0.41 0.08 0.00 -0.01 0.00 0.00 54.79 55.48 1f6r n ASP 78 Cb 0.77 -0.45 0.47 0.00 -1.03 0.00 0.00 41.12 40.87 1f6r n ASP 78 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1f6r n LYS 79 N -1.45 0.43 -0.05 0.11 4.76 -0.57 -1.18 118.16 120.20 1f6r n LYS 79 Ca 0.04 0.05 0.12 0.00 -2.87 0.00 0.00 58.31 55.65 1f6r n LYS 79 Cb 0.15 -1.50 0.13 0.00 -1.84 0.00 0.00 35.03 31.97 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 -1.10 0.13 0.69 2.13 0.99 -0.31 -4.01 117.46 115.99 1f6r n PHE 80 Ca 0.11 -0.07 0.08 0.00 -0.00 0.00 0.00 57.45 57.57 1f6r n PHE 80 Cb 0.08 -0.00 0.02 0.00 -1.00 0.00 0.00 39.48 38.58 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 1.39 1.79 0.00 4.37 4.77 -0.33 -3.61 117.00 125.38 1f6r n LEU 81 Ca 0.15 -0.83 -0.27 0.00 -0.03 0.00 0.00 56.01 55.04 1f6r n LEU 81 Cb 0.60 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.88 1f6r n LEU 81 CO 0.15 0.33 0.80 -0.90 -1.33 0.00 0.00 177.39 176.45 1f6r n ASP 82 N 0.14 0.07 -1.00 -1.43 5.68 -1.24 -4.53 116.55 114.25 1f6r n ASP 82 Ca 0.07 -1.44 0.12 0.00 -0.50 0.00 0.00 54.79 53.05 1f6r n ASP 82 Cb 0.35 -0.93 0.15 0.00 -1.14 0.00 0.00 41.12 39.55 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 -3.79 3.07 -4.41 -1.12 8.00 -1.26 -4.73 116.55 112.30 1f6r n ASP 83 Ca 0.15 -1.98 -0.44 0.00 0.71 0.00 0.00 54.79 53.23 1f6r n ASP 83 Cb 0.53 -0.07 -0.05 0.00 -0.02 0.00 0.00 41.12 41.50 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 -1.86 6.20 -0.00 -2.24 2.15 -1.26 -4.90 116.67 114.76 1f6r s ASP 84 Ca 0.31 -1.15 0.01 0.00 0.43 0.00 0.00 52.55 52.16 1f6r s ASP 84 Cb 0.21 -2.30 0.04 0.00 -0.30 0.00 0.00 42.92 40.57 1f6r s ASP 84 CO 0.31 -1.00 0.98 0.18 -0.17 0.00 0.00 175.17 175.46 1f6r n LEU 85 N 6.27 0.32 0.03 -1.34 4.77 -1.26 -4.06 117.00 121.73 1f6r n LEU 85 Ca -0.08 -0.16 -0.12 0.00 -0.03 0.00 0.00 56.01 55.62 1f6r n LEU 85 Cb 0.44 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.37 1f6r n LEU 85 CO 0.56 0.08 0.78 0.74 -1.33 0.00 0.00 177.39 178.21 1f6r h THR 86 N 0.23 1.13 -0.19 -5.08 2.02 -1.94 -1.59 112.91 107.49 1f6r h THR 86 Ca 0.00 -0.43 -0.09 0.00 0.77 0.00 0.00 66.41 66.67 1f6r h THR 86 Cb 0.11 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1f6r h THR 86 CO 0.00 0.11 -0.28 -2.24 0.37 0.00 0.00 175.52 173.49 1f6r h ASP 87 N -0.20 0.35 0.49 4.18 3.04 -1.90 -2.15 116.42 120.23 1f6r h ASP 87 Ca -0.00 -0.12 -0.02 0.00 -3.24 0.00 0.00 57.03 53.65 1f6r h ASP 87 Cb 0.19 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 38.39 1f6r h ASP 87 CO 0.00 0.63 -0.24 0.44 -2.04 0.00 0.00 179.24 178.03 1f6r h ASP 88 N 0.31 -0.56 -0.99 4.15 5.19 -1.76 -2.21 116.42 120.55 1f6r h ASP 88 Ca 0.05 0.02 0.11 0.00 -0.62 0.00 0.00 57.03 56.58 1f6r h ASP 88 Cb 0.65 0.15 -0.08 0.00 0.18 0.00 0.00 39.33 40.23 1f6r h ASP 88 CO 0.05 -0.40 0.62 0.40 -3.12 0.00 0.00 179.24 176.79 1f6r h ILE 89 N -0.66 0.96 -0.74 0.35 2.04 -1.20 0.24 117.51 118.50 1f6r h ILE 89 Ca -0.07 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 1f6r h ILE 89 Cb 0.51 -0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1f6r h ILE 89 CO 0.11 0.19 0.28 -0.03 0.00 0.00 0.00 178.15 178.69 1f6r h MET 90 N 1.02 1.11 -0.26 2.37 4.05 -1.18 -1.07 114.93 120.98 1f6r h MET 90 Ca 0.48 -0.21 -0.19 0.00 -0.28 0.00 0.00 59.70 59.49 1f6r h MET 90 Cb 0.41 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 1f6r h MET 90 CO -0.24 0.92 -0.60 0.00 0.23 0.00 0.00 176.91 177.22 1f6r h VAL 92 N 0.64 1.22 -0.18 0.00 2.07 -0.78 -0.68 116.25 118.53 1f6r h VAL 92 Ca -0.00 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 1f6r h VAL 92 Cb 1.21 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1f6r h VAL 92 CO 0.13 0.24 -0.11 0.11 0.02 0.00 0.00 177.57 177.95 1f6r h LYS 93 N 1.29 0.29 -0.19 1.57 1.57 -1.11 0.45 116.57 120.44 1f6r h LYS 93 Ca 0.37 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.94 1f6r h LYS 93 Cb -0.09 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1f6r h LYS 93 CO -0.10 0.41 -0.47 0.87 -0.57 0.00 0.00 179.45 179.60 1f6r h LYS 94 N 0.27 0.65 -0.60 3.15 1.57 -1.13 -1.74 116.57 118.74 1f6r h LYS 94 Ca 0.06 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1f6r h LYS 94 Cb 0.37 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1f6r h LYS 94 CO 0.02 1.07 0.38 0.82 -0.57 0.00 0.00 179.45 181.17 1f6r h ILE 95 N 0.34 1.17 -0.68 1.86 2.04 -0.59 0.36 117.51 122.00 1f6r h ILE 95 Ca -0.00 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.55 1f6r h ILE 95 Cb 1.08 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 1f6r h ILE 95 CO 0.10 0.17 0.42 -0.07 0.00 0.00 0.00 178.15 178.77 1f6r h LEU 96 N 0.81 0.68 -0.22 1.44 3.38 -0.85 0.38 115.31 120.93 1f6r h LEU 96 Ca 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1f6r h LEU 96 Cb -0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1f6r h LEU 96 CO -0.04 0.47 0.08 0.44 0.09 0.00 0.00 178.44 179.48 1f6r h ASP 97 N 0.81 0.32 0.26 -0.43 3.32 -0.75 -1.51 116.42 118.44 1f6r h ASP 97 Ca 0.28 -0.18 -0.33 0.00 0.02 0.00 0.00 57.03 56.82 1f6r h ASP 97 Cb 0.04 -0.08 0.04 0.00 0.22 0.00 0.00 39.33 39.54 1f6r h ASP 97 CO -0.12 0.41 -1.43 0.11 -1.72 0.00 0.00 179.24 176.50 1f6r h LYS 98 N 0.20 0.55 0.00 3.56 1.79 -0.71 -3.43 116.57 118.53 1f6r h LYS 98 Ca 0.07 -0.89 -0.05 0.00 -2.18 0.00 0.00 60.65 57.61 1f6r h LYS 98 Cb 0.20 0.32 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 1f6r h LYS 98 CO -0.00 1.42 -1.18 0.28 -1.08 0.00 0.00 179.45 178.88 1f6r n VAL 99 N -3.72 0.18 0.00 0.50 0.31 0.13 -5.09 118.33 110.64 1f6r n VAL 99 Ca -0.16 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1f6r n VAL 99 Cb 1.08 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 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 3.16 2.40 0.22 2.92 0.00 -0.57 -4.77 105.19 108.56 1f6r n GLY 100 Ca -0.06 -2.12 0.07 0.00 0.00 0.00 0.00 46.02 43.91 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 0.98 0.00 -0.61 6.09 -1.88 -2.67 117.51 119.42 1f6r h ILE 101 Ca 0.00 -0.82 0.00 0.00 -1.37 0.00 0.00 64.86 62.67 1f6r h ILE 101 Cb 0.00 1.46 0.00 0.00 0.47 0.00 0.00 36.82 38.75 1f6r h ILE 101 CO 0.00 0.22 0.00 0.59 -3.07 0.00 0.00 178.15 175.89 1f6r n ASN 102 N -4.01 0.00 0.22 2.19 3.02 -1.26 -1.84 115.26 113.57 1f6r n ASN 102 Ca -0.02 -1.38 0.08 0.00 -0.03 0.00 0.00 54.58 53.23 1f6r n ASN 102 Cb 0.30 0.00 0.49 0.00 -0.61 0.00 0.00 39.78 39.96 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 0.00 0.00 -3.35 3.10 3.20 -1.78 -3.34 116.97 114.81 1f6r h TYR 103 Ca 0.00 0.00 -0.68 0.00 3.14 0.00 0.00 58.73 61.19 1f6r h TYR 103 Cb 0.00 0.00 -0.18 0.00 1.54 0.00 0.00 36.73 38.09 1f6r h TYR 103 CO 0.00 0.27 -0.00 -1.58 -1.64 0.00 0.00 178.16 175.21 1f6r s TRP 104 N -3.99 3.08 0.50 -3.82 0.51 -0.76 -4.93 118.94 109.53 1f6r s TRP 104 Ca -0.02 -0.47 0.20 0.00 -2.12 0.00 0.00 56.10 53.70 1f6r s TRP 104 Cb 0.13 -3.39 1.34 0.00 -0.81 0.00 0.00 33.47 30.73 1f6r s TRP 104 CO 0.66 -0.95 2.12 -0.07 -0.51 0.00 0.00 176.95 178.20 1f6r h LEU 105 N 9.56 0.00 -1.47 2.99 3.38 -1.86 -1.86 115.31 126.04 1f6r h LEU 105 Ca -0.27 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 1f6r h LEU 105 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1f6r h LEU 105 CO 0.92 0.07 -0.27 0.00 0.09 0.00 0.00 178.44 179.25 1f6r h ALA 106 N 1.93 1.50 0.60 1.53 0.00 -1.92 -1.90 119.26 121.00 1f6r h ALA 106 Ca -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1f6r h ALA 106 Cb 0.13 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1f6r h ALA 106 CO 0.01 0.33 -0.29 1.25 0.00 0.00 0.00 179.25 180.56 1f6r h HIS 107 N 0.00 -0.75 -0.73 0.00 -0.00 -1.65 0.95 115.15 112.97 1f6r h HIS 107 Ca -0.00 -0.02 0.09 0.00 -0.00 0.00 0.00 60.37 60.44 1f6r h HIS 107 Cb 0.49 0.25 -0.07 0.00 -0.00 0.00 0.00 27.41 28.08 1f6r h HIS 107 CO 0.00 -0.46 0.39 -0.22 -0.00 0.00 0.00 177.93 177.63 1f6r h LYS 108 N -0.89 0.65 0.57 5.26 3.64 -1.65 0.39 116.57 124.54 1f6r h LYS 108 Ca -0.08 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 1f6r h LYS 108 Cb 0.62 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1f6r h LYS 108 CO 0.14 0.43 -0.27 0.00 -2.27 0.00 0.00 179.45 177.47 1f6r h ALA 109 N 1.42 -1.06 -0.00 5.00 0.00 -1.22 -3.40 119.26 120.00 1f6r h ALA 109 Ca 0.35 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1f6r h ALA 109 Cb 0.32 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1f6r h ALA 109 CO -0.24 -1.00 -0.38 1.28 0.00 0.00 0.00 179.25 178.90 1f6r n LEU 110 N -4.31 0.49 -2.07 0.00 4.77 0.33 -4.71 117.00 111.50 1f6r n LEU 110 Ca -0.09 -0.53 -0.25 0.00 -0.03 0.00 0.00 56.01 55.10 1f6r n LEU 110 Cb 0.30 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1f6r n LEU 110 CO 0.23 0.12 0.33 0.00 -1.33 0.00 0.00 177.39 176.74 1f6r n SER 112 N -0.73 2.02 -4.11 0.00 7.64 -1.10 -4.80 113.62 112.55 1f6r n SER 112 Ca 0.46 -0.12 -0.20 0.00 1.01 0.00 0.00 58.87 60.02 1f6r n SER 112 Cb 0.93 -0.29 -0.09 0.00 -1.01 0.00 0.00 64.21 63.75 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 -2.48 1.64 -1.55 1.43 -1.05 -1.26 -4.78 118.70 110.65 1f6r s GLU 113 Ca -0.31 -1.94 0.00 0.00 -0.15 0.00 0.00 54.97 52.58 1f6r s GLU 113 Cb 0.08 -0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.47 1f6r s GLU 113 CO 0.57 -0.40 0.00 1.17 0.95 0.00 0.00 175.26 177.54 1f6r n LYS 114 N -0.64 -1.04 0.00 -4.83 4.81 -1.26 -4.81 118.16 110.39 1f6r n LYS 114 Ca -0.01 1.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.43 1f6r n LYS 114 Cb 0.65 -5.14 0.00 0.00 0.02 0.00 0.00 35.03 30.56 1f6r n LYS 114 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1f6r n LEU 115 N -1.73 0.00 -0.04 3.14 4.77 -1.26 -3.02 117.00 118.86 1f6r n LEU 115 Ca -0.15 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.70 1f6r n LEU 115 Cb 0.50 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.58 1f6r n LEU 115 CO 0.22 0.00 0.41 0.44 -1.33 0.00 0.00 177.39 177.14 1f6r h ASP 116 N 0.00 0.84 0.57 -1.43 3.32 -1.97 -3.09 116.42 114.67 1f6r h ASP 116 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1f6r h ASP 116 Cb 0.00 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.31 1f6r h ASP 116 CO 0.00 1.24 0.00 0.06 -1.72 0.00 0.00 179.24 178.82 1f6r h GLN 117 N 0.55 0.00 -0.18 3.56 3.07 -1.95 -2.43 115.11 117.74 1f6r h GLN 117 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1f6r h GLN 117 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.75 1f6r h GLN 117 CO 0.12 0.00 0.00 0.91 0.09 0.00 0.00 178.83 179.95 1f6r n TRP 118 N -2.82 0.23 -2.05 0.06 7.02 -1.17 -4.88 117.44 113.82 1f6r n TRP 118 Ca -0.00 -0.11 -0.28 0.00 -1.02 0.00 0.00 57.50 56.09 1f6r n TRP 118 Cb 0.20 0.00 0.08 0.00 -2.42 0.00 0.00 31.31 29.16 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 -1.54 2.70 0.00 -0.99 2.01 -0.92 -4.71 118.68 115.23 1f6r s LEU 119 Ca 0.32 0.66 0.00 0.00 0.01 0.00 0.00 54.13 55.12 1f6r s LEU 119 Cb 0.17 -3.25 0.00 0.00 0.01 0.00 0.00 46.19 43.12 1f6r s LEU 119 CO 0.26 -1.70 0.38 0.00 1.01 0.00 0.00 176.35 176.30