#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fxi n LYS 20 N 0.00 2.37 -3.47 3.69 4.81 -1.26 -4.98 118.16 119.32 3fxi n LYS 20 Ca 0.00 0.84 -0.37 0.00 -0.87 0.00 0.00 58.31 57.91 3fxi n LYS 20 Cb 0.00 -2.52 -0.07 0.00 0.02 0.00 0.00 35.03 32.46 3fxi n LYS 20 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3fxi s GLN 21 N -1.18 4.22 -0.14 1.64 -0.21 -1.26 -4.70 119.66 118.03 3fxi s GLN 21 Ca 0.60 0.23 -0.06 0.00 0.02 0.00 0.00 55.36 56.16 3fxi s GLN 21 Cb -0.55 -3.40 -0.04 0.00 1.00 0.00 0.00 33.01 30.02 3fxi s GLN 21 CO 0.56 0.28 0.08 0.71 -2.12 0.00 0.00 175.29 174.79 3fxi s TYR 22 N 0.30 3.37 -0.36 0.91 1.51 -0.27 -4.96 117.35 117.85 3fxi s TYR 22 Ca 0.20 0.29 -0.15 0.00 -1.01 0.00 0.00 57.07 56.40 3fxi s TYR 22 Cb -0.14 -1.96 -0.01 0.00 -0.11 0.00 0.00 41.96 39.75 3fxi s TYR 22 CO 0.07 0.46 0.34 -0.46 -1.11 0.00 0.00 175.55 174.85 3fxi s TRP 23 N -0.48 3.21 0.00 2.71 -0.00 -1.26 -1.62 118.94 121.51 3fxi s TRP 23 Ca 0.10 -0.17 0.00 0.00 -0.00 0.00 0.00 56.10 56.03 3fxi s TRP 23 Cb -0.12 -2.65 0.00 0.00 -0.00 0.00 0.00 33.47 30.70 3fxi s TRP 23 CO 0.02 -0.47 0.10 0.28 -0.00 0.00 0.00 176.95 176.88 3fxi n VAL 24 N 5.23 0.00 -3.82 5.86 0.31 -0.31 -5.01 118.33 120.59 3fxi n VAL 24 Ca -0.10 0.57 -0.02 0.00 -0.01 0.00 0.00 64.34 64.78 3fxi n VAL 24 Cb 0.49 -1.51 0.01 0.00 -0.91 0.00 0.00 33.84 31.91 3fxi n VAL 24 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fxi s ASN 26 N -3.25 1.23 0.00 0.00 0.02 -1.26 -0.45 114.94 111.23 3fxi s ASN 26 Ca 0.19 -0.26 0.00 0.00 -1.02 0.00 0.00 52.86 51.77 3fxi s ASN 26 Cb -0.01 -0.11 0.00 0.00 0.02 0.00 0.00 41.25 41.14 3fxi s ASN 26 CO 0.03 0.08 0.00 -1.54 0.02 0.00 0.00 177.10 175.69 3fxi n SER 27 N 2.57 0.00 0.00 -1.22 3.41 0.55 -4.81 113.62 114.12 3fxi n SER 27 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 3fxi n SER 27 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3fxi n SER 27 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3fxi n SER 28 N 0.00 0.08 -0.07 4.04 3.41 -1.26 -4.69 113.62 115.13 3fxi n SER 28 Ca 0.00 -0.43 -0.10 0.00 -0.26 0.00 0.00 58.87 58.08 3fxi n SER 28 Cb 0.00 0.64 -0.08 0.00 -0.26 0.00 0.00 64.21 64.51 3fxi n SER 28 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3fxi n ASP 29 N -0.64 2.53 -3.71 4.04 9.92 -1.26 -4.81 116.55 122.61 3fxi n ASP 29 Ca 0.00 -0.06 -0.13 0.00 -0.53 0.00 0.00 54.79 54.07 3fxi n ASP 29 Cb 0.01 0.06 -0.06 0.00 -0.64 0.00 0.00 41.12 40.49 3fxi n ASP 29 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3fxi s ALA 30 N -2.31 0.61 -0.09 2.24 0.00 -1.26 -0.62 121.76 120.33 3fxi s ALA 30 Ca -0.17 -1.39 -0.01 0.00 0.00 0.00 0.00 51.96 50.39 3fxi s ALA 30 Cb 0.05 1.20 0.03 0.00 0.00 0.00 0.00 23.12 24.40 3fxi s ALA 30 CO 0.41 -0.76 -0.02 0.45 0.00 0.00 0.00 175.76 175.84 3fxi s SER 31 N -3.16 1.88 -0.14 0.00 0.15 -0.76 -0.33 113.70 111.35 3fxi s SER 31 Ca 0.30 -0.22 -0.00 0.00 0.70 0.00 0.00 55.95 56.73 3fxi s SER 31 Cb 0.01 -0.57 -0.01 0.00 -1.71 0.00 0.00 66.02 63.74 3fxi s SER 31 CO 0.15 -0.18 -0.13 -0.63 1.20 0.00 0.00 173.24 173.65 3fxi s ILE 32 N 1.88 3.05 0.15 6.45 1.01 0.40 -0.91 121.20 133.24 3fxi s ILE 32 Ca 0.04 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 59.96 3fxi s ILE 32 Cb -0.13 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 3fxi s ILE 32 CO -0.06 0.52 0.23 -0.94 0.00 0.00 0.00 174.94 174.68 3fxi s SER 33 N 0.45 0.10 0.09 3.58 1.04 -0.24 -1.16 113.70 117.57 3fxi s SER 33 Ca -0.09 -0.91 -0.10 0.00 0.48 0.00 0.00 55.95 55.33 3fxi s SER 33 Cb -0.16 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.36 3fxi s SER 33 CO 0.05 -0.84 0.23 -0.72 0.98 0.00 0.00 173.24 172.93 3fxi s TYR 34 N -3.97 0.09 0.13 5.02 -0.85 -0.64 0.16 117.35 117.29 3fxi s TYR 34 Ca 0.17 -0.49 0.02 0.00 -0.52 0.00 0.00 57.07 56.24 3fxi s TYR 34 Cb 0.04 -0.00 -0.01 0.00 0.38 0.00 0.00 41.96 42.37 3fxi s TYR 34 CO -0.01 -0.57 0.07 0.25 -1.52 0.00 0.00 175.55 173.77 3fxi n THR 35 N -0.08 0.00 -4.15 -3.49 -2.24 -0.85 -1.12 114.28 102.35 3fxi n THR 35 Ca -0.15 -0.84 -0.28 0.00 -2.27 0.00 0.00 64.05 60.51 3fxi n THR 35 Cb 0.63 0.34 -0.07 0.00 -2.10 0.00 0.00 70.33 69.13 3fxi n THR 35 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3fxi s TYR 36 N -2.22 2.97 -0.07 4.78 1.51 -1.26 -2.05 117.35 121.00 3fxi s TYR 36 Ca 0.10 -0.07 0.11 0.00 -1.01 0.00 0.00 57.07 56.19 3fxi s TYR 36 Cb 0.00 -1.46 0.17 0.00 -0.11 0.00 0.00 41.96 40.57 3fxi s TYR 36 CO 0.07 0.51 1.09 0.00 -1.11 0.00 0.00 175.55 176.10 3fxi s ASP 38 N -2.08 2.44 0.00 0.00 -4.77 -1.26 -4.89 116.67 106.12 3fxi s ASP 38 Ca 0.19 -1.04 0.00 0.00 -3.30 0.00 0.00 52.55 48.40 3fxi s ASP 38 Cb 0.17 -0.11 0.00 0.00 -1.09 0.00 0.00 42.92 41.88 3fxi s ASP 38 CO 0.01 -0.22 0.94 0.29 0.70 0.00 0.00 175.17 176.90 3fxi n LYS 39 N -0.37 0.00 -2.09 2.11 4.01 -1.26 -4.57 118.16 115.99 3fxi n LYS 39 Ca -0.08 0.51 -0.42 0.00 -0.51 0.00 0.00 58.31 57.81 3fxi n LYS 39 Cb 0.61 -1.44 -0.03 0.00 -0.51 0.00 0.00 35.03 33.66 3fxi n LYS 39 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 3fxi s MET 40 N -2.77 4.30 -0.69 1.97 -1.94 -1.26 -4.95 119.30 113.96 3fxi s MET 40 Ca 0.00 2.18 0.03 0.00 -1.71 0.00 0.00 55.69 56.19 3fxi s MET 40 Cb 0.00 -3.19 0.35 0.00 2.01 0.00 0.00 34.83 34.00 3fxi s MET 40 CO 0.00 -0.45 1.31 1.04 -0.01 0.00 0.00 175.02 176.92 3fxi n GLN 41 N 3.50 3.76 -1.65 2.03 6.02 -1.26 -4.94 117.38 124.84 3fxi n GLN 41 Ca 0.10 -4.60 -0.50 0.00 -0.01 0.00 0.00 57.00 51.99 3fxi n GLN 41 Cb 0.41 -2.30 -0.05 0.00 1.02 0.00 0.00 30.24 29.32 3fxi n GLN 41 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3fxi n TYR 42 N -0.28 1.98 -1.96 1.08 4.02 -1.26 -4.91 117.16 115.83 3fxi n TYR 42 Ca 0.39 0.40 -0.38 0.00 -0.01 0.00 0.00 57.90 58.29 3fxi n TYR 42 Cb 0.40 -2.48 0.02 0.00 -0.02 0.00 0.00 39.34 37.26 3fxi n TYR 42 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3fxi s PRO 43 N 1.74 3.46 0.03 -0.72 0.04 -1.26 -5.07 135.00 133.23 3fxi s PRO 43 Ca 0.86 2.10 0.01 0.00 0.04 0.00 0.00 61.00 64.02 3fxi s PRO 43 Cb -0.84 -2.39 -0.02 0.00 0.04 0.00 0.00 34.50 31.28 3fxi s PRO 43 CO 0.48 -0.89 -0.06 0.42 0.04 0.00 0.00 177.00 176.99 3fxi s ILE 44 N -1.36 0.40 -0.22 0.56 1.01 -1.26 -4.73 121.20 115.59 3fxi s ILE 44 Ca 0.67 -1.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.26 3fxi s ILE 44 Cb -0.37 -0.49 -0.02 0.00 0.01 0.00 0.00 42.46 41.59 3fxi s ILE 44 CO 0.45 -0.41 0.00 -0.55 0.00 0.00 0.00 174.94 174.43 3fxi s SER 45 N -1.51 4.72 -0.20 3.58 0.15 -0.68 -5.00 113.70 114.76 3fxi s SER 45 Ca -0.12 -0.27 -0.02 0.00 0.70 0.00 0.00 55.95 56.25 3fxi s SER 45 Cb -0.10 -1.82 0.06 0.00 -1.71 0.00 0.00 66.02 62.45 3fxi s SER 45 CO -0.00 0.01 0.01 -0.63 1.20 0.00 0.00 173.24 173.83 3fxi s ILE 46 N 1.31 0.81 -0.02 6.45 1.01 -1.26 -2.32 121.20 127.17 3fxi s ILE 46 Ca 0.04 -0.73 0.08 0.00 0.00 0.00 0.00 60.65 60.04 3fxi s ILE 46 Cb -0.15 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 3fxi s ILE 46 CO 0.01 -0.16 -0.26 0.20 0.00 0.00 0.00 174.94 174.73 3fxi s ASN 47 N 1.73 3.02 -0.17 3.58 -0.87 -0.46 -4.87 114.94 116.89 3fxi s ASN 47 Ca -0.02 -0.47 0.00 0.00 -1.57 0.00 0.00 52.86 50.80 3fxi s ASN 47 Cb -0.17 -0.35 0.04 0.00 -0.02 0.00 0.00 41.25 40.75 3fxi s ASN 47 CO -0.07 0.31 -0.08 -0.69 -2.57 0.00 0.00 177.10 174.00 3fxi s VAL 48 N -0.59 1.34 -0.16 1.60 1.01 -1.26 -1.08 120.40 121.27 3fxi s VAL 48 Ca 0.10 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 3fxi s VAL 48 Cb -0.10 -1.45 0.05 0.00 0.00 0.00 0.00 36.38 34.88 3fxi s VAL 48 CO -0.01 0.19 -0.01 0.20 0.00 0.00 0.00 175.10 175.47 3fxi s ASN 49 N 1.54 2.61 0.97 3.32 -0.87 -0.44 -3.51 114.94 118.56 3fxi s ASN 49 Ca 0.01 -0.60 -0.15 0.00 -1.57 0.00 0.00 52.86 50.54 3fxi s ASN 49 Cb -0.15 -0.70 0.19 0.00 -0.02 0.00 0.00 41.25 40.56 3fxi s ASN 49 CO -0.08 -0.23 1.23 -2.16 -2.57 0.00 0.00 177.10 173.29 3fxi s PRO 50 N 1.78 0.60 0.38 -0.60 0.04 -1.26 -0.80 135.00 135.14 3fxi s PRO 50 Ca 0.01 -0.15 -0.27 0.00 0.04 0.00 0.00 61.00 60.64 3fxi s PRO 50 Cb -0.15 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 3fxi s PRO 50 CO -0.07 -2.48 1.24 0.00 0.04 0.00 0.00 177.00 175.73 3fxi n ILE 52 N 0.32 2.08 -3.86 0.00 2.08 -1.26 -4.84 119.36 113.88 3fxi n ILE 52 Ca 0.03 -0.50 -0.27 0.00 0.56 0.00 0.00 62.75 62.57 3fxi n ILE 52 Cb 0.44 -1.04 -0.17 0.00 -0.75 0.00 0.00 39.64 38.12 3fxi n ILE 52 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 3fxi s GLU 53 N -1.68 1.26 0.00 0.38 2.02 -1.26 -4.50 118.70 114.91 3fxi s GLU 53 Ca 0.60 -0.29 0.06 0.00 0.02 0.00 0.00 54.97 55.35 3fxi s GLU 53 Cb -0.65 -1.67 0.24 0.00 0.10 0.00 0.00 34.13 32.15 3fxi s GLU 53 CO 0.59 -0.36 1.18 1.28 0.02 0.00 0.00 175.26 177.97 3fxi n LEU 54 N 4.96 0.00 -0.08 1.80 4.32 -1.26 -0.56 117.00 126.18 3fxi n LEU 54 Ca -0.11 0.50 0.15 0.00 -0.02 0.00 0.00 56.01 56.52 3fxi n LEU 54 Cb 0.49 -0.50 0.70 0.00 -1.62 0.00 0.00 43.42 42.49 3fxi n LEU 54 CO 0.15 -0.40 0.95 2.29 -1.22 0.00 0.00 177.39 179.16 3fxi n LYS 55 N -1.50 0.69 0.00 3.23 -0.00 -1.26 -4.82 118.16 114.50 3fxi n LYS 55 Ca 0.01 -0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.17 3fxi n LYS 55 Cb 0.07 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.60 3fxi n LYS 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3fxi n GLY 56 N 1.24 3.76 3.68 2.58 0.00 0.27 -4.74 105.19 111.98 3fxi n GLY 56 Ca 0.16 -1.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.93 3fxi n GLY 56 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fxi s SER 57 N 0.00 -0.20 -0.23 1.61 1.04 -1.11 -4.70 113.70 110.10 3fxi s SER 57 Ca 0.00 -0.69 -0.09 0.00 0.48 0.00 0.00 55.95 55.66 3fxi s SER 57 Cb 0.00 0.64 0.10 0.00 0.10 0.00 0.00 66.02 66.86 3fxi s SER 57 CO 0.00 -1.20 0.51 -1.59 0.98 0.00 0.00 173.24 171.94 3fxi s LYS 58 N -3.94 0.43 0.00 4.02 0.00 -1.26 -1.87 119.74 117.12 3fxi s LYS 58 Ca 0.15 1.16 0.00 0.00 0.00 0.00 0.00 55.97 57.28 3fxi s LYS 58 Cb -0.03 0.47 0.00 0.00 0.00 0.00 0.00 37.83 38.27 3fxi s LYS 58 CO 0.05 -0.22 0.00 0.41 0.00 0.00 0.00 175.35 175.59 3fxi n GLY 59 N 5.26 3.40 3.47 0.59 0.00 -1.10 -4.67 105.19 112.14 3fxi n GLY 59 Ca -0.11 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 3fxi n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fxi s LEU 60 N 0.00 2.94 -0.41 0.99 1.43 0.02 -1.49 118.68 122.16 3fxi s LEU 60 Ca 0.00 -0.19 -0.08 0.00 -1.03 0.00 0.00 54.13 52.83 3fxi s LEU 60 Cb 0.00 -1.65 0.08 0.00 0.03 0.00 0.00 46.19 44.65 3fxi s LEU 60 CO 0.00 0.25 0.24 -0.22 0.23 0.00 0.00 176.35 176.85 3fxi s LEU 61 N -0.15 5.09 -0.20 1.79 2.96 0.12 -1.32 118.68 126.97 3fxi s LEU 61 Ca 0.01 -1.55 -0.16 0.00 -0.22 0.00 0.00 54.13 52.20 3fxi s LEU 61 Cb -0.13 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 3fxi s LEU 61 CO 0.03 -0.52 0.40 -2.28 -1.32 0.00 0.00 176.35 172.65 3fxi s HIS 62 N 1.38 3.37 0.07 5.38 5.65 -0.24 -1.24 115.29 129.67 3fxi s HIS 62 Ca 0.03 0.61 0.08 0.00 0.25 0.00 0.00 55.06 56.03 3fxi s HIS 62 Cb -0.23 -2.52 -0.03 0.00 -1.18 0.00 0.00 32.58 28.62 3fxi s HIS 62 CO 0.01 -0.01 -0.21 0.42 -0.65 0.00 0.00 174.74 174.30 3fxi s ILE 63 N 1.30 1.73 -0.06 0.89 1.01 -0.57 -1.35 121.20 124.14 3fxi s ILE 63 Ca 0.19 -1.36 -0.01 0.00 0.00 0.00 0.00 60.65 59.47 3fxi s ILE 63 Cb -0.15 -1.53 0.03 0.00 0.01 0.00 0.00 42.46 40.82 3fxi s ILE 63 CO 0.08 0.11 -0.00 0.12 0.00 0.00 0.00 174.94 175.24 3fxi s PHE 64 N -0.95 0.63 0.19 3.97 5.36 -0.98 -1.79 117.98 124.41 3fxi s PHE 64 Ca 0.08 -0.14 -0.16 0.00 -0.96 0.00 0.00 56.93 55.74 3fxi s PHE 64 Cb -0.09 -0.73 0.02 0.00 -0.34 0.00 0.00 43.02 41.88 3fxi s PHE 64 CO 0.03 -0.28 0.48 -0.47 -1.46 0.00 0.00 175.22 173.52 3fxi s TYR 65 N 1.69 -0.02 -0.35 10.12 5.04 -0.39 -1.68 117.35 131.77 3fxi s TYR 65 Ca 0.01 -0.33 0.00 0.00 -2.44 0.00 0.00 57.07 54.31 3fxi s TYR 65 Cb -0.13 0.31 0.14 0.00 0.35 0.00 0.00 41.96 42.63 3fxi s TYR 65 CO -0.04 -0.88 0.25 -1.50 -1.34 0.00 0.00 175.55 172.05 3fxi s ILE 66 N -3.89 -0.05 1.14 3.14 2.07 -1.26 -0.55 121.20 121.79 3fxi s ILE 66 Ca 0.11 -1.32 -0.15 0.00 -1.41 0.00 0.00 60.65 57.88 3fxi s ILE 66 Cb -0.00 -0.97 0.21 0.00 0.13 0.00 0.00 42.46 41.83 3fxi s ILE 66 CO -0.02 -0.82 0.66 -0.81 -1.91 0.00 0.00 174.94 172.03 3fxi n PRO 67 N 4.32 -1.99 -0.01 3.50 -0.04 -1.26 -4.97 135.00 134.55 3fxi n PRO 67 Ca 0.09 -0.55 0.00 0.00 -0.04 0.00 0.00 63.50 63.00 3fxi n PRO 67 Cb 0.40 -2.01 0.01 0.00 -0.04 0.00 0.00 33.50 31.86 3fxi n PRO 67 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3fxi n ARG 68 N -3.81 2.08 -4.09 0.54 5.12 -1.23 -4.34 116.66 110.93 3fxi n ARG 68 Ca 0.03 -1.30 -0.14 0.00 -1.93 0.00 0.00 57.85 54.51 3fxi n ARG 68 Cb 0.57 -1.02 -0.05 0.00 -1.16 0.00 0.00 32.46 30.80 3fxi n ARG 68 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3fxi s ARG 69 N -0.78 1.77 0.14 5.56 0.52 -1.26 -4.91 118.95 119.99 3fxi s ARG 69 Ca 0.01 -1.67 -0.20 0.00 -0.52 0.00 0.00 55.73 53.36 3fxi s ARG 69 Cb 0.01 0.43 -0.07 0.00 0.52 0.00 0.00 34.95 35.83 3fxi s ARG 69 CO 0.01 -0.72 0.64 -0.51 0.02 0.00 0.00 175.30 174.74 3fxi s ASP 70 N -3.20 7.09 0.00 0.23 1.11 -1.26 -3.56 116.67 117.08 3fxi s ASP 70 Ca 0.30 1.34 0.23 0.00 0.18 0.00 0.00 52.55 54.61 3fxi s ASP 70 Cb 0.00 -2.39 1.39 0.00 1.07 0.00 0.00 42.92 43.00 3fxi s ASP 70 CO 0.18 0.18 1.85 0.18 1.18 0.00 0.00 175.17 178.73 3fxi n LEU 71 N 1.30 0.00 -4.68 1.23 4.77 -0.88 -3.09 117.00 115.65 3fxi n LEU 71 Ca -0.07 0.00 -0.60 0.00 -0.03 0.00 0.00 56.01 55.32 3fxi n LEU 71 Cb 0.51 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.51 3fxi n LEU 71 CO 0.43 0.00 1.34 1.17 -1.33 0.00 0.00 177.39 179.00 3fxi n LYS 72 N -0.90 0.83 -3.56 3.23 4.81 -1.17 -1.78 118.16 119.62 3fxi n LYS 72 Ca 0.17 0.30 -0.20 0.00 -0.87 0.00 0.00 58.31 57.71 3fxi n LYS 72 Cb 0.08 -1.96 0.07 0.00 0.02 0.00 0.00 35.03 33.24 3fxi n LYS 72 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3fxi n GLN 73 N 5.37 -6.20 -1.03 1.64 6.02 -1.26 -1.22 117.38 120.71 3fxi n GLN 73 Ca 0.30 0.76 -0.31 0.00 -0.01 0.00 0.00 57.00 57.74 3fxi n GLN 73 Cb 0.08 -5.64 0.12 0.00 1.02 0.00 0.00 30.24 25.83 3fxi n GLN 73 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3fxi s LEU 74 N -6.62 2.90 -0.29 1.08 0.20 -0.73 -4.50 118.68 110.72 3fxi s LEU 74 Ca 0.11 1.95 -0.26 0.00 0.69 0.00 0.00 54.13 56.61 3fxi s LEU 74 Cb -0.05 -4.50 0.18 0.00 -0.43 0.00 0.00 46.19 41.39 3fxi s LEU 74 CO 0.76 -2.50 1.35 -0.72 -0.29 0.00 0.00 176.35 174.95 3fxi s TYR 75 N -2.80 -0.13 0.05 5.38 1.13 -0.24 -2.69 117.35 118.06 3fxi s TYR 75 Ca 0.63 0.29 0.00 0.00 -1.41 0.00 0.00 57.07 56.59 3fxi s TYR 75 Cb -0.19 0.47 -0.04 0.00 -1.10 0.00 0.00 41.96 41.09 3fxi s TYR 75 CO 0.57 -0.07 0.17 -0.06 -2.51 0.00 0.00 175.55 173.65 3fxi s PHE 76 N -0.15 3.44 -0.18 -3.49 2.99 -0.23 -0.67 117.98 119.69 3fxi s PHE 76 Ca 0.07 0.22 -0.02 0.00 0.00 0.00 0.00 56.93 57.20 3fxi s PHE 76 Cb -0.04 -1.74 -0.01 0.00 0.00 0.00 0.00 43.02 41.23 3fxi s PHE 76 CO -0.12 0.58 -0.08 -0.80 -0.00 0.00 0.00 175.22 174.79 3fxi s ASN 77 N -2.40 4.19 -0.16 1.36 0.01 0.48 -1.97 114.94 116.45 3fxi s ASN 77 Ca 0.33 -0.35 -0.02 0.00 -0.71 0.00 0.00 52.86 52.11 3fxi s ASN 77 Cb -0.13 -1.68 -0.02 0.00 0.41 0.00 0.00 41.25 39.83 3fxi s ASN 77 CO 0.25 0.08 -0.08 -0.76 -1.51 0.00 0.00 177.10 175.08 3fxi s LEU 78 N 0.89 2.96 -0.58 0.60 1.43 0.16 -1.98 118.68 122.17 3fxi s LEU 78 Ca -0.02 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 3fxi s LEU 78 Cb -0.15 -1.70 0.15 0.00 0.03 0.00 0.00 46.19 44.51 3fxi s LEU 78 CO 0.00 0.13 0.35 -0.31 0.23 0.00 0.00 176.35 176.76 3fxi s TYR 79 N 0.57 3.29 0.41 0.29 1.51 -0.23 -1.63 117.35 121.55 3fxi s TYR 79 Ca -0.05 -2.98 -0.12 0.00 -1.01 0.00 0.00 57.07 52.91 3fxi s TYR 79 Cb -0.15 -2.99 -0.07 0.00 -0.11 0.00 0.00 41.96 38.64 3fxi s TYR 79 CO 0.03 -0.78 0.79 0.42 -1.11 0.00 0.00 175.55 174.90 3fxi s ILE 80 N -0.24 4.75 -0.11 2.71 1.09 -1.26 -1.45 121.20 126.68 3fxi s ILE 80 Ca 0.17 0.72 -0.05 0.00 -1.10 0.00 0.00 60.65 60.40 3fxi s ILE 80 Cb -0.23 -3.71 0.05 0.00 -1.06 0.00 0.00 42.46 37.51 3fxi s ILE 80 CO -0.02 -0.49 0.23 -0.89 -0.10 0.00 0.00 174.94 173.67 3fxi s THR 81 N -2.35 -0.24 -0.35 2.92 2.01 0.02 -3.00 115.64 114.65 3fxi s THR 81 Ca 0.52 0.24 -0.07 0.00 0.31 0.00 0.00 61.69 62.69 3fxi s THR 81 Cb -0.10 -0.38 0.04 0.00 0.01 0.00 0.00 72.50 72.07 3fxi s THR 81 CO 0.29 0.10 0.13 -0.69 -0.69 0.00 0.00 174.62 173.77 3fxi s VAL 82 N 1.91 3.91 -0.69 3.82 1.01 0.06 -2.14 120.40 128.29 3fxi s VAL 82 Ca -0.03 -1.14 -0.06 0.00 0.00 0.00 0.00 61.98 60.75 3fxi s VAL 82 Cb -0.11 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.04 3fxi s VAL 82 CO -0.08 -0.23 0.46 0.59 0.00 0.00 0.00 175.10 175.85 3fxi n ASN 83 N 4.84 -3.43 0.00 3.32 3.02 -0.99 0.92 115.26 122.94 3fxi n ASN 83 Ca -0.12 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 3fxi n ASN 83 Cb 0.45 -1.18 0.00 0.00 -0.61 0.00 0.00 39.78 38.44 3fxi n ASN 83 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 3fxi n THR 84 N -2.56 0.00 -2.77 3.41 5.66 -1.26 -4.99 114.28 111.77 3fxi n THR 84 Ca -0.21 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.43 3fxi n THR 84 Cb 0.50 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.21 3fxi n THR 84 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 3fxi s MET 85 N 0.00 4.54 -0.11 1.09 -1.94 0.26 -5.06 119.30 118.07 3fxi s MET 85 Ca 0.00 1.33 0.01 0.00 -1.71 0.00 0.00 55.69 55.32 3fxi s MET 85 Cb 0.00 -2.74 -0.01 0.00 2.01 0.00 0.00 34.83 34.08 3fxi s MET 85 CO 0.00 0.23 -0.15 -0.80 -0.01 0.00 0.00 175.02 174.30 3fxi s ASN 86 N -1.65 3.90 0.12 3.03 -0.87 -1.26 -0.76 114.94 117.45 3fxi s ASN 86 Ca 0.51 -0.34 0.01 0.00 -1.57 0.00 0.00 52.86 51.47 3fxi s ASN 86 Cb -0.18 -1.47 -0.04 0.00 -0.02 0.00 0.00 41.25 39.54 3fxi s ASN 86 CO 0.23 0.19 0.27 -0.76 -2.57 0.00 0.00 177.10 174.46 3fxi s LEU 87 N 0.19 4.33 1.09 0.60 1.43 -1.16 -5.02 118.68 120.14 3fxi s LEU 87 Ca -0.09 0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 53.12 3fxi s LEU 87 Cb -0.15 -2.98 0.15 0.00 0.03 0.00 0.00 46.19 43.23 3fxi s LEU 87 CO 0.05 0.09 0.47 -2.65 0.23 0.00 0.00 176.35 174.55 3fxi n PRO 88 N -0.17 -1.50 -1.67 1.29 -0.02 -1.26 -4.58 135.00 127.08 3fxi n PRO 88 Ca -0.06 -0.41 -0.33 0.00 -2.02 0.00 0.00 63.50 60.68 3fxi n PRO 88 Cb 0.53 -1.92 0.06 0.00 -0.02 0.00 0.00 33.50 32.14 3fxi n PRO 88 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3fxi s LYS 89 N -3.86 2.60 -0.06 -0.52 2.20 -1.26 -4.67 119.74 114.17 3fxi s LYS 89 Ca 0.61 1.52 0.02 0.00 -0.36 0.00 0.00 55.97 57.76 3fxi s LYS 89 Cb -0.19 -1.91 0.01 0.00 -1.51 0.00 0.00 37.83 34.23 3fxi s LYS 89 CO 0.65 -1.43 -0.11 1.03 -0.36 0.00 0.00 175.35 175.13 3fxi s ARG 90 N -4.00 1.55 -0.29 4.03 0.52 -0.64 -4.94 118.95 115.18 3fxi s ARG 90 Ca 0.70 -0.37 -0.07 0.00 -0.52 0.00 0.00 55.73 55.46 3fxi s ARG 90 Cb -0.23 -1.31 0.00 0.00 0.52 0.00 0.00 34.95 33.93 3fxi s ARG 90 CO 0.42 0.02 0.08 0.21 0.02 0.00 0.00 175.30 176.05 3fxi s LYS 91 N 0.66 3.19 -0.21 3.54 2.20 -1.26 0.40 119.74 128.25 3fxi s LYS 91 Ca -0.14 -0.79 -0.03 0.00 -0.36 0.00 0.00 55.97 54.65 3fxi s LYS 91 Cb -0.15 -3.37 -0.00 0.00 -1.51 0.00 0.00 37.83 32.80 3fxi s LYS 91 CO 0.03 -0.40 -0.08 -1.21 -0.36 0.00 0.00 175.35 173.33 3fxi s GLU 92 N 1.52 3.26 -0.16 4.03 0.41 -0.83 -5.00 118.70 121.93 3fxi s GLU 92 Ca 0.03 -0.69 -0.16 0.00 -0.41 0.00 0.00 54.97 53.75 3fxi s GLU 92 Cb -0.17 -2.90 -0.04 0.00 -1.78 0.00 0.00 34.13 29.24 3fxi s GLU 92 CO 0.03 -0.21 0.38 0.08 -0.49 0.00 0.00 175.26 175.04 3fxi s VAL 93 N 1.43 5.24 -0.16 2.63 1.01 -1.26 -1.07 120.40 128.22 3fxi s VAL 93 Ca 0.05 0.71 0.02 0.00 0.00 0.00 0.00 61.98 62.77 3fxi s VAL 93 Cb -0.14 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.54 3fxi s VAL 93 CO -0.06 0.34 -0.21 -0.63 0.00 0.00 0.00 175.10 174.54 3fxi s ILE 94 N 0.72 2.11 -0.04 2.22 -1.09 -1.10 -4.92 121.20 119.11 3fxi s ILE 94 Ca 0.20 -0.95 -0.03 0.00 -2.23 0.00 0.00 60.65 57.65 3fxi s ILE 94 Cb -0.14 -1.86 0.01 0.00 -1.58 0.00 0.00 42.46 38.89 3fxi s ILE 94 CO 0.07 0.54 0.05 0.00 -1.23 0.00 0.00 174.94 174.37 3fxi h ARG 96 N 1.02 0.00 0.00 0.00 0.11 -1.91 -3.32 114.38 110.28 3fxi h ARG 96 Ca -0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.97 3fxi h ARG 96 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 3fxi h ARG 96 CO 0.00 0.78 0.00 0.41 0.10 0.00 0.00 179.97 181.26 3fxi n GLY 97 N 1.31 1.16 2.70 0.08 0.00 -1.26 -4.78 105.19 104.39 3fxi n GLY 97 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3fxi n GLY 97 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fxi s SER 98 N -1.02 1.41 -1.12 1.61 0.15 -1.26 -4.89 113.70 108.58 3fxi s SER 98 Ca 0.00 -0.08 -0.19 0.00 0.70 0.00 0.00 55.95 56.38 3fxi s SER 98 Cb 0.00 -0.04 -0.02 0.00 -1.71 0.00 0.00 66.02 64.26 3fxi s SER 98 CO 0.00 -0.28 0.81 0.47 1.20 0.00 0.00 173.24 175.44 3fxi n ASP 99 N 5.30 -5.53 -4.77 5.45 10.43 -1.26 -4.93 116.55 121.24 3fxi n ASP 99 Ca -0.05 -0.97 -0.30 0.00 2.57 0.00 0.00 54.79 56.04 3fxi n ASP 99 Cb 0.50 -3.59 0.10 0.00 1.84 0.00 0.00 41.12 39.96 3fxi n ASP 99 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 3fxi s ASP 100 N -3.45 4.24 0.03 -2.24 1.01 -1.26 -5.00 116.67 110.00 3fxi s ASP 100 Ca 0.47 1.43 -0.24 0.00 0.71 0.00 0.00 52.55 54.92 3fxi s ASP 100 Cb -0.16 -2.16 -0.17 0.00 1.01 0.00 0.00 42.92 41.44 3fxi s ASP 100 CO 0.85 -2.15 1.46 0.44 0.21 0.00 0.00 175.17 175.98 3fxi h ASP 101 N -1.21 0.04 -3.58 0.27 5.19 -2.01 -3.44 116.42 111.69 3fxi h ASP 101 Ca -0.47 -0.29 -0.52 0.00 -0.62 0.00 0.00 57.03 55.13 3fxi h ASP 101 Cb 1.27 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 40.73 3fxi h ASP 101 CO 0.57 0.33 0.08 -0.31 -3.12 0.00 0.00 179.24 176.79 3fxi s TYR 102 N -5.02 3.57 -0.13 4.55 4.12 -1.26 -4.98 117.35 118.20 3fxi s TYR 102 Ca -0.15 1.30 0.21 0.00 0.02 0.00 0.00 57.07 58.46 3fxi s TYR 102 Cb 0.04 -2.57 0.50 0.00 -1.52 0.00 0.00 41.96 38.41 3fxi s TYR 102 CO 0.68 0.29 1.65 0.66 0.02 0.00 0.00 175.55 178.84 3fxi h SER 103 N 3.14 0.00 0.52 2.29 4.64 -2.02 -3.21 113.55 118.91 3fxi h SER 103 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3fxi h SER 103 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3fxi h SER 103 CO 0.65 0.24 0.00 2.22 -0.87 0.00 0.00 176.83 179.07 3fxi n PHE 104 N -3.22 0.00 0.02 4.77 1.16 -1.26 -2.90 117.46 116.03 3fxi n PHE 104 Ca 0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.59 3fxi n PHE 104 Cb 0.55 -0.32 0.26 0.00 -1.61 0.00 0.00 39.48 38.37 3fxi n PHE 104 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3fxi n ARG 106 N -4.20 0.14 -1.70 0.00 1.74 -1.14 -3.07 116.66 108.44 3fxi n ARG 106 Ca 0.00 0.39 -0.43 0.00 -0.77 0.00 0.00 57.85 57.04 3fxi n ARG 106 Cb 0.33 -1.77 -0.01 0.00 -1.02 0.00 0.00 32.46 29.98 3fxi n ARG 106 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fxi n ALA 107 N -1.70 1.37 -2.01 7.54 0.00 -0.82 -4.92 120.51 119.98 3fxi n ALA 107 Ca 0.02 0.38 -0.18 0.00 0.00 0.00 0.00 53.44 53.66 3fxi n ALA 107 Cb 0.20 -2.28 0.02 0.00 0.00 0.00 0.00 19.45 17.39 3fxi n ALA 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fxi s LEU 108 N -0.65 3.55 0.27 0.00 1.43 -1.26 -2.08 118.68 119.93 3fxi s LEU 108 Ca 0.60 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 53.16 3fxi s LEU 108 Cb -0.59 -2.52 0.43 0.00 0.03 0.00 0.00 46.19 43.55 3fxi s LEU 108 CO 0.57 -0.88 1.49 1.17 0.23 0.00 0.00 176.35 178.93 3fxi n LYS 109 N -1.95 -0.09 -0.39 1.70 4.81 -1.23 -1.82 118.16 119.19 3fxi n LYS 109 Ca 0.09 1.49 0.08 0.00 -0.87 0.00 0.00 58.31 59.10 3fxi n LYS 109 Cb 0.59 -2.22 0.24 0.00 0.02 0.00 0.00 35.03 33.66 3fxi n LYS 109 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3fxi n GLY 110 N -1.60 3.83 3.75 3.14 0.00 -1.26 -3.53 105.19 109.52 3fxi n GLY 110 Ca 0.15 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 3fxi n GLY 110 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fxi s GLU 111 N -2.50 4.76 0.01 1.61 2.12 -0.76 -4.93 118.70 119.02 3fxi s GLU 111 Ca 0.38 1.56 -0.30 0.00 0.36 0.00 0.00 54.97 56.97 3fxi s GLU 111 Cb 0.30 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 31.36 3fxi s GLU 111 CO 0.10 0.35 1.27 0.99 -0.54 0.00 0.00 175.26 177.43 3fxi s THR 112 N -0.83 3.96 -0.43 -1.70 2.01 -1.26 -4.21 115.64 113.18 3fxi s THR 112 Ca 0.44 1.36 -0.02 0.00 0.31 0.00 0.00 61.69 63.78 3fxi s THR 112 Cb -0.27 -3.87 0.12 0.00 0.01 0.00 0.00 72.50 68.48 3fxi s THR 112 CO 0.33 0.04 0.22 -0.69 -0.69 0.00 0.00 174.62 173.83 3fxi s VAL 113 N 1.79 3.18 -0.46 3.82 1.01 0.28 -5.02 120.40 125.00 3fxi s VAL 113 Ca 0.60 -2.26 0.01 0.00 0.00 0.00 0.00 61.98 60.33 3fxi s VAL 113 Cb -0.29 -3.18 0.12 0.00 0.00 0.00 0.00 36.38 33.03 3fxi s VAL 113 CO 0.26 -0.71 0.22 0.21 0.00 0.00 0.00 175.10 175.08 3fxi s ASN 114 N 1.48 4.81 0.25 3.32 3.84 -1.26 -1.26 114.94 126.13 3fxi s ASN 114 Ca 0.10 -2.52 0.03 0.00 0.21 0.00 0.00 52.86 50.68 3fxi s ASN 114 Cb -0.22 -1.71 -0.05 0.00 -0.55 0.00 0.00 41.25 38.71 3fxi s ASN 114 CO -0.04 -0.37 0.03 0.28 -2.79 0.00 0.00 177.10 174.21 3fxi s THR 115 N 0.41 0.92 -0.16 -5.21 -1.32 -0.74 -5.03 115.64 104.51 3fxi s THR 115 Ca 0.13 -2.02 -0.01 0.00 -1.21 0.00 0.00 61.69 58.59 3fxi s THR 115 Cb -0.22 -2.49 0.04 0.00 -1.51 0.00 0.00 72.50 68.32 3fxi s THR 115 CO -0.04 -0.19 -0.03 -0.89 -2.21 0.00 0.00 174.62 171.26 3fxi s THR 116 N -3.50 0.92 -0.15 5.08 2.01 -1.26 -1.51 115.64 117.22 3fxi s THR 116 Ca 0.32 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.76 3fxi s THR 116 Cb 0.07 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 3fxi s THR 116 CO 0.11 0.10 0.02 -0.63 -0.69 0.00 0.00 174.62 173.53 3fxi s ILE 117 N 1.71 4.45 0.17 1.82 1.01 -0.37 -4.93 121.20 125.07 3fxi s ILE 117 Ca 0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 60.65 60.40 3fxi s ILE 117 Cb -0.15 -2.96 -0.07 0.00 0.01 0.00 0.00 42.46 39.29 3fxi s ILE 117 CO -0.07 0.50 0.50 -0.94 0.00 0.00 0.00 174.94 174.93 3fxi s SER 118 N 0.08 6.64 0.20 3.58 1.04 -1.26 0.13 113.70 124.11 3fxi s SER 118 Ca 0.03 0.87 -0.01 0.00 0.48 0.00 0.00 55.95 57.33 3fxi s SER 118 Cb -0.13 -2.21 -0.04 0.00 0.10 0.00 0.00 66.02 63.74 3fxi s SER 118 CO 0.01 0.02 0.12 0.72 0.98 0.00 0.00 173.24 175.09 3fxi s PHE 119 N -1.66 1.17 -0.23 5.02 -0.12 -0.55 -4.93 117.98 116.69 3fxi s PHE 119 Ca 0.42 -1.34 -0.29 0.00 -0.05 0.00 0.00 56.93 55.67 3fxi s PHE 119 Cb -0.12 -0.59 0.16 0.00 -0.63 0.00 0.00 43.02 41.83 3fxi s PHE 119 CO 0.21 -0.59 1.16 0.45 -0.05 0.00 0.00 175.22 176.41 3fxi s SER 120 N -3.16 -0.23 -0.01 1.98 0.15 -1.26 -2.70 113.70 108.46 3fxi s SER 120 Ca 0.37 0.29 -0.30 0.00 0.70 0.00 0.00 55.95 57.01 3fxi s SER 120 Cb 0.07 0.24 0.10 0.00 -1.71 0.00 0.00 66.02 64.72 3fxi s SER 120 CO 0.11 -0.19 1.05 0.72 1.20 0.00 0.00 173.24 176.13 3fxi s PHE 121 N -0.88 -0.19 -0.09 3.44 -0.12 -0.78 -5.00 117.98 114.37 3fxi s PHE 121 Ca 0.03 0.04 -0.33 0.00 -0.05 0.00 0.00 56.93 56.63 3fxi s PHE 121 Cb -0.01 0.56 0.14 0.00 -0.63 0.00 0.00 43.02 43.08 3fxi s PHE 121 CO -0.04 -0.49 1.42 -1.59 -0.05 0.00 0.00 175.22 174.48 3fxi s LYS 122 N -2.87 0.07 0.00 1.99 -2.85 -1.26 -2.76 119.74 112.06 3fxi s LYS 122 Ca 0.09 -0.04 0.00 0.00 -1.00 0.00 0.00 55.97 55.02 3fxi s LYS 122 Cb -0.00 0.03 0.00 0.00 -2.06 0.00 0.00 37.83 35.79 3fxi s LYS 122 CO -0.04 -0.03 0.00 0.41 0.10 0.00 0.00 175.35 175.78 3fxi n GLY 123 N -0.49 0.30 3.12 0.59 0.00 -1.26 -5.06 105.19 102.39 3fxi n GLY 123 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 3fxi n GLY 123 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fxi s ILE 124 N -2.00 1.34 -0.13 -0.61 1.01 -1.26 -5.12 121.20 114.43 3fxi s ILE 124 Ca 0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 60.65 59.82 3fxi s ILE 124 Cb 0.00 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.28 3fxi s ILE 124 CO 0.00 0.39 0.37 -0.75 0.00 0.00 0.00 174.94 174.95 3fxi s LYS 125 N -0.03 4.26 0.11 2.79 2.20 -1.26 -4.82 119.74 122.98 3fxi s LYS 125 Ca -0.02 0.26 0.07 0.00 -0.36 0.00 0.00 55.97 55.92 3fxi s LYS 125 Cb -0.10 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 3fxi s LYS 125 CO 0.01 0.24 -0.10 -0.06 -0.36 0.00 0.00 175.35 175.09 3fxi s PHE 126 N 0.41 2.75 1.18 4.03 0.40 -1.26 -5.12 117.98 120.37 3fxi s PHE 126 Ca 0.21 -0.15 -0.16 0.00 -0.60 0.00 0.00 56.93 56.22 3fxi s PHE 126 Cb -0.14 -1.43 0.28 0.00 0.51 0.00 0.00 43.02 42.23 3fxi s PHE 126 CO 0.07 0.43 1.05 -1.12 0.70 0.00 0.00 175.22 176.35 3fxi s SER 127 N -2.23 0.99 0.15 1.36 0.01 -1.26 -4.95 113.70 107.77 3fxi s SER 127 Ca 0.22 1.06 -0.11 0.00 1.31 0.00 0.00 55.95 58.43 3fxi s SER 127 Cb -0.11 -1.61 -0.07 0.00 0.21 0.00 0.00 66.02 64.44 3fxi s SER 127 CO 0.14 -4.13 0.49 -0.75 0.41 0.00 0.00 173.24 169.40 3fxi s LYS 128 N -4.94 3.83 0.00 12.44 2.20 -1.26 -4.90 119.74 127.10 3fxi s LYS 128 Ca 0.68 0.28 0.00 0.00 -0.36 0.00 0.00 55.97 56.57 3fxi s LYS 128 Cb -0.17 -2.86 0.00 0.00 -1.51 0.00 0.00 37.83 33.28 3fxi s LYS 128 CO 0.59 0.46 0.00 0.41 -0.36 0.00 0.00 175.35 176.45 3fxi n GLY 129 N 0.50 0.62 3.40 5.54 0.00 -0.96 -4.98 105.19 109.31 3fxi n GLY 129 Ca -0.04 -1.68 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 3fxi n GLY 129 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fxi s LYS 130 N -2.00 3.54 -0.09 1.61 2.20 -1.26 -1.53 119.74 122.21 3fxi s LYS 130 Ca 0.00 -0.55 -0.01 0.00 -0.36 0.00 0.00 55.97 55.05 3fxi s LYS 130 Cb 0.00 -3.10 -0.03 0.00 -1.51 0.00 0.00 37.83 33.19 3fxi s LYS 130 CO 0.00 -0.09 -0.05 0.71 -0.36 0.00 0.00 175.35 175.55 3fxi s TYR 131 N 1.27 2.98 -0.06 4.03 1.51 -0.47 -2.35 117.35 124.27 3fxi s TYR 131 Ca 0.04 -0.05 0.02 0.00 -1.01 0.00 0.00 57.07 56.06 3fxi s TYR 131 Cb -0.15 -1.78 0.02 0.00 -0.11 0.00 0.00 41.96 39.94 3fxi s TYR 131 CO 0.01 0.25 -0.09 -1.59 -1.11 0.00 0.00 175.55 173.01 3fxi s LYS 132 N -0.51 1.38 -0.20 -0.62 0.00 -0.91 -0.65 119.74 118.23 3fxi s LYS 132 Ca 0.08 -0.30 -0.00 0.00 0.00 0.00 0.00 55.97 55.75 3fxi s LYS 132 Cb -0.12 -1.19 0.05 0.00 0.00 0.00 0.00 37.83 36.57 3fxi s LYS 132 CO 0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 175.35 175.31 3fxi s VAL 134 N 1.52 4.87 -0.47 0.00 1.01 -0.53 -1.01 120.40 125.78 3fxi s VAL 134 Ca -0.03 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.56 3fxi s VAL 134 Cb -0.17 -4.13 0.13 0.00 0.00 0.00 0.00 36.38 32.21 3fxi s VAL 134 CO -0.07 -0.01 0.24 0.54 0.00 0.00 0.00 175.10 175.81 3fxi s VAL 135 N 2.39 3.02 -0.35 2.92 0.11 -0.04 -1.07 120.40 127.37 3fxi s VAL 135 Ca 0.37 -2.64 -0.22 0.00 -2.93 0.00 0.00 61.98 56.56 3fxi s VAL 135 Cb -0.16 -3.07 0.00 0.00 -1.53 0.00 0.00 36.38 31.62 3fxi s VAL 135 CO 0.10 -0.74 0.70 -0.70 -3.33 0.00 0.00 175.10 171.13 3fxi s GLU 136 N 0.45 3.74 0.06 1.54 2.12 -0.84 -2.51 118.70 123.27 3fxi s GLU 136 Ca 0.13 0.21 -0.15 0.00 0.36 0.00 0.00 54.97 55.52 3fxi s GLU 136 Cb -0.22 -3.80 -0.06 0.00 0.26 0.00 0.00 34.13 30.31 3fxi s GLU 136 CO -0.04 -0.76 0.48 0.00 -0.54 0.00 0.00 175.26 174.40 3fxi s ALA 137 N 2.87 3.65 -0.01 6.30 0.00 -0.04 -0.39 121.76 134.14 3fxi s ALA 137 Ca 0.28 -0.16 -0.00 0.00 0.00 0.00 0.00 51.96 52.07 3fxi s ALA 137 Cb -0.14 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.52 3fxi s ALA 137 CO 0.15 0.47 0.02 0.42 0.00 0.00 0.00 175.76 176.82 3fxi s ILE 138 N -1.23 -0.01 0.28 0.00 1.01 0.15 -0.87 121.20 120.54 3fxi s ILE 138 Ca 0.30 0.03 -0.19 0.00 0.00 0.00 0.00 60.65 60.78 3fxi s ILE 138 Cb -0.17 -0.04 0.06 0.00 0.01 0.00 0.00 42.46 42.33 3fxi s ILE 138 CO 0.17 0.01 0.87 -0.94 0.00 0.00 0.00 174.94 175.05 3fxi s SER 139 N 0.14 -0.05 0.00 3.58 1.04 -1.15 -1.07 113.70 116.18 3fxi s SER 139 Ca -0.01 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.57 3fxi s SER 139 Cb -0.02 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.79 3fxi s SER 139 CO -0.00 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 173.48 3fxi n GLY 140 N -0.56 2.16 0.15 7.32 0.00 -0.35 -1.98 105.19 111.92 3fxi n GLY 140 Ca -0.06 -1.94 -0.14 0.00 0.00 0.00 0.00 46.02 43.88 3fxi n GLY 140 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fxi h SER 141 N 0.00 -0.25 0.62 1.61 4.64 -1.91 -2.43 113.55 115.83 3fxi h SER 141 Ca 0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3fxi h SER 141 Cb 0.00 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3fxi h SER 141 CO 0.00 -0.01 -0.11 -2.65 -0.87 0.00 0.00 176.83 173.19 3fxi n PRO 142 N -5.13 0.32 -2.04 4.77 -0.02 -1.26 -5.01 135.00 126.63 3fxi n PRO 142 Ca -0.09 -0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 3fxi n PRO 142 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 3fxi n PRO 142 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3fxi n GLU 143 N -1.27 -2.71 -4.14 -0.52 0.28 -0.92 -5.08 120.64 106.28 3fxi n GLU 143 Ca 0.11 1.94 -0.09 0.00 -0.16 0.00 0.00 57.16 58.96 3fxi n GLU 143 Cb 0.30 -2.55 -0.10 0.00 1.43 0.00 0.00 31.44 30.51 3fxi n GLU 143 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 3fxi s GLU 144 N -0.29 0.82 0.37 3.44 2.02 -0.84 -4.90 118.70 119.32 3fxi s GLU 144 Ca 0.00 -1.36 -0.28 0.00 0.02 0.00 0.00 54.97 53.35 3fxi s GLU 144 Cb 0.00 0.16 -0.11 0.00 0.10 0.00 0.00 34.13 34.28 3fxi s GLU 144 CO 0.00 -0.18 1.48 -0.12 0.02 0.00 0.00 175.26 176.46 3fxi n MET 145 N -0.03 2.63 -0.11 1.61 0.00 -1.26 -2.92 117.12 117.05 3fxi n MET 145 Ca -0.09 0.92 -0.19 0.00 -0.00 0.00 0.00 57.70 58.34 3fxi n MET 145 Cb 0.62 -2.65 -0.08 0.00 0.00 0.00 0.00 33.22 31.12 3fxi n MET 145 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 3fxi n LEU 146 N 0.63 1.89 -3.49 -0.89 0.00 -0.05 -4.90 117.00 110.19 3fxi n LEU 146 Ca 0.02 0.42 -0.10 0.00 0.00 0.00 0.00 56.01 56.35 3fxi n LEU 146 Cb 0.38 -0.86 -0.02 0.00 0.00 0.00 0.00 43.42 42.92 3fxi n LEU 146 CO 0.64 0.13 0.49 0.72 0.00 0.00 0.00 177.39 179.38 3fxi s PHE 147 N -2.48 -0.44 -0.04 1.96 -0.12 -1.24 -4.91 117.98 110.70 3fxi s PHE 147 Ca -0.29 0.23 0.02 0.00 -0.05 0.00 0.00 56.93 56.83 3fxi s PHE 147 Cb 0.08 0.57 0.02 0.00 -0.63 0.00 0.00 43.02 43.05 3fxi s PHE 147 CO 0.46 -0.80 -0.07 0.00 -0.05 0.00 0.00 175.22 174.76 3fxi s LEU 149 N 0.73 2.14 -0.29 0.00 1.43 -1.04 -2.27 118.68 119.38 3fxi s LEU 149 Ca -0.11 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 3fxi s LEU 149 Cb -0.14 -0.44 0.05 0.00 0.03 0.00 0.00 46.19 45.69 3fxi s LEU 149 CO 0.01 -0.00 -0.02 -0.70 0.23 0.00 0.00 176.35 175.87 3fxi s GLU 150 N -0.94 2.45 -0.10 1.70 2.12 -0.87 -0.86 118.70 122.20 3fxi s GLU 150 Ca -0.01 -1.24 -0.20 0.00 0.36 0.00 0.00 54.97 53.88 3fxi s GLU 150 Cb -0.07 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 3fxi s GLU 150 CO 0.01 -0.59 0.56 -0.06 -0.54 0.00 0.00 175.26 174.63 3fxi s PHE 151 N 1.25 3.53 -0.25 5.30 0.40 -0.18 -2.01 117.98 126.02 3fxi s PHE 151 Ca -0.05 1.01 -0.02 0.00 -0.60 0.00 0.00 56.93 57.27 3fxi s PHE 151 Cb -0.19 -2.64 0.02 0.00 0.51 0.00 0.00 43.02 40.71 3fxi s PHE 151 CO -0.02 0.13 -0.05 0.08 0.70 0.00 0.00 175.22 176.06 3fxi s VAL 152 N 0.72 2.97 -0.17 -0.44 1.01 0.12 -0.36 120.40 124.26 3fxi s VAL 152 Ca 0.30 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3fxi s VAL 152 Cb -0.16 -2.49 0.04 0.00 0.00 0.00 0.00 36.38 33.77 3fxi s VAL 152 CO 0.13 0.22 -0.10 -0.51 0.00 0.00 0.00 175.10 174.84 3fxi s ILE 153 N 1.35 1.46 -0.04 2.22 2.07 0.18 -1.08 121.20 127.36 3fxi s ILE 153 Ca 0.01 -0.77 -0.19 0.00 -1.41 0.00 0.00 60.65 58.29 3fxi s ILE 153 Cb -0.16 -1.51 -0.05 0.00 0.13 0.00 0.00 42.46 40.87 3fxi s ILE 153 CO -0.04 0.25 0.52 -0.76 -1.91 0.00 0.00 174.94 173.00 3fxi s LEU 154 N 1.50 4.38 -0.12 8.50 2.01 -0.09 -1.36 118.68 133.50 3fxi s LEU 154 Ca 0.01 1.01 0.03 0.00 0.01 0.00 0.00 54.13 55.19 3fxi s LEU 154 Cb -0.15 -2.78 0.01 0.00 0.01 0.00 0.00 46.19 43.28 3fxi s LEU 154 CO -0.09 0.12 -0.19 -2.28 1.01 0.00 0.00 176.35 174.91 3fxi s HIS 155 N -0.12 2.34 -0.33 0.29 5.65 -0.58 -1.83 115.29 120.71 3fxi s HIS 155 Ca 0.28 -1.10 0.02 0.00 0.25 0.00 0.00 55.06 54.51 3fxi s HIS 155 Cb -0.17 -1.62 0.10 0.00 -1.18 0.00 0.00 32.58 29.72 3fxi s HIS 155 CO 0.14 -0.51 0.08 -1.14 -0.65 0.00 0.00 174.74 172.66 3fxi s GLN 156 N 0.77 1.09 0.00 2.88 2.00 0.21 -2.26 119.66 124.35 3fxi s GLN 156 Ca -0.10 -1.48 0.00 0.00 -2.00 0.00 0.00 55.36 51.79 3fxi s GLN 156 Cb -0.16 -2.58 0.00 0.00 0.80 0.00 0.00 33.01 31.07 3fxi s GLN 156 CO 0.01 -0.97 0.00 -0.35 -0.50 0.00 0.00 175.29 173.48 3fxi n PRO 157 N 4.54 -0.02 -0.58 1.67 -0.04 -1.26 -4.50 135.00 134.81 3fxi n PRO 157 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 3fxi n PRO 157 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 3fxi n PRO 157 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75