#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kfg s ASN 11 N 0.00 6.56 0.44 1.96 3.84 -1.26 -4.93 114.94 121.54 3kfg s ASN 11 Ca 0.00 -2.28 0.14 0.00 0.21 0.00 0.00 52.86 50.94 3kfg s ASN 11 Cb 0.00 -2.24 0.98 0.00 -0.55 0.00 0.00 41.25 39.44 3kfg s ASN 11 CO 0.00 -0.75 1.98 1.62 -2.79 0.00 0.00 177.10 177.15 3kfg h VAL 12 N 5.28 1.13 -0.90 -5.21 3.04 -2.03 -0.97 116.25 116.58 3kfg h VAL 12 Ca -0.02 -0.69 0.25 0.00 -1.01 0.00 0.00 66.70 65.23 3kfg h VAL 12 Cb 1.06 1.37 -0.04 0.00 -2.01 0.00 0.00 31.29 31.66 3kfg h VAL 12 CO 0.90 0.20 0.64 -0.08 -1.01 0.00 0.00 177.57 178.21 3kfg h GLU 13 N 0.00 0.09 0.00 4.17 4.57 -1.97 -1.36 114.58 120.07 3kfg h GLU 13 Ca -0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3kfg h GLU 13 Cb 0.35 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 3kfg h GLU 13 CO 0.03 0.06 0.00 1.63 -1.18 0.00 0.00 179.01 179.54 3kfg n LYS 14 N -4.33 0.41 -0.01 1.92 5.02 -0.37 -1.87 118.16 118.94 3kfg n LYS 14 Ca 0.19 0.03 0.13 0.00 -2.02 0.00 0.00 58.31 56.64 3kfg n LYS 14 Cb 0.91 -1.50 0.48 0.00 -0.02 0.00 0.00 35.03 34.90 3kfg n LYS 14 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3kfg n ILE 15 N -1.27 0.03 -1.75 -0.18 -5.35 -0.51 -4.79 119.36 105.53 3kfg n ILE 15 Ca 0.13 -0.28 -0.39 0.00 -0.27 0.00 0.00 62.75 61.94 3kfg n ILE 15 Cb 0.21 0.54 0.03 0.00 -1.74 0.00 0.00 39.64 38.68 3kfg n ILE 15 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3kfg n ASN 16 N 0.26 2.98 0.00 7.28 5.15 -0.78 -4.73 115.26 125.42 3kfg n ASN 16 Ca 0.18 1.03 0.00 0.00 -0.60 0.00 0.00 54.58 55.20 3kfg n ASN 16 Cb 0.37 -1.59 0.00 0.00 -0.53 0.00 0.00 39.78 38.02 3kfg n ASN 16 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kfg n GLY 17 N 0.68 0.53 3.78 8.20 0.00 -0.08 -4.95 105.19 113.34 3kfg n GLY 17 Ca 0.08 -2.17 -0.39 0.00 0.00 0.00 0.00 46.02 43.54 3kfg n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kfg s GLU 18 N -0.27 4.49 0.07 1.61 0.41 -1.26 -1.12 118.70 122.63 3kfg s GLU 18 Ca 0.00 1.06 -0.03 0.00 -0.41 0.00 0.00 54.97 55.60 3kfg s GLU 18 Cb 0.00 -3.28 -0.03 0.00 -1.78 0.00 0.00 34.13 29.04 3kfg s GLU 18 CO 0.00 0.53 0.03 -1.58 -0.49 0.00 0.00 175.26 173.75 3kfg s TRP 19 N -0.92 0.51 0.03 1.61 0.52 -0.84 -4.72 118.94 115.13 3kfg s TRP 19 Ca 0.35 -1.00 0.06 0.00 0.02 0.00 0.00 56.10 55.54 3kfg s TRP 19 Cb -0.22 -0.33 -0.02 0.00 -1.15 0.00 0.00 33.47 31.74 3kfg s TRP 19 CO 0.24 -0.44 -0.19 -0.06 0.02 0.00 0.00 176.95 176.52 3kfg s PHE 20 N -3.93 1.67 -0.08 -1.98 0.40 0.54 -4.04 117.98 110.55 3kfg s PHE 20 Ca 0.10 -0.36 -0.29 0.00 -0.60 0.00 0.00 56.93 55.78 3kfg s PHE 20 Cb 0.07 -1.01 -0.02 0.00 0.51 0.00 0.00 43.02 42.58 3kfg s PHE 20 CO -0.08 0.06 0.99 -1.12 0.70 0.00 0.00 175.22 175.77 3kfg s SER 21 N -1.02 7.26 0.03 1.36 0.01 -1.26 -0.34 113.70 119.75 3kfg s SER 21 Ca 0.06 1.54 -0.04 0.00 1.31 0.00 0.00 55.95 58.83 3kfg s SER 21 Cb -0.08 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.58 3kfg s SER 21 CO 0.01 -0.40 -0.07 -0.38 0.41 0.00 0.00 173.24 172.81 3kfg n ILE 22 N 4.39 1.18 -4.94 1.44 5.41 -0.27 -4.71 119.36 121.86 3kfg n ILE 22 Ca 0.08 0.33 -0.30 0.00 1.00 0.00 0.00 62.75 63.85 3kfg n ILE 22 Cb 0.49 -1.71 -0.15 0.00 -0.71 0.00 0.00 39.64 37.57 3kfg n ILE 22 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3kfg s LEU 23 N -7.01 2.16 -0.03 1.39 1.43 -1.02 -0.79 118.68 114.81 3kfg s LEU 23 Ca -0.06 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 3kfg s LEU 23 Cb 0.01 -1.29 0.03 0.00 0.03 0.00 0.00 46.19 44.96 3kfg s LEU 23 CO 0.09 0.26 -0.00 -0.22 0.23 0.00 0.00 176.35 176.72 3kfg s LEU 24 N -1.19 1.10 -0.01 1.79 2.96 -0.67 -1.30 118.68 121.36 3kfg s LEU 24 Ca 0.12 -0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.98 3kfg s LEU 24 Cb -0.10 -0.25 0.00 0.00 0.50 0.00 0.00 46.19 46.34 3kfg s LEU 24 CO 0.02 -0.11 0.04 0.00 -1.32 0.00 0.00 176.35 174.98 3kfg s ALA 25 N 1.12 -0.10 -0.00 5.97 0.00 -0.19 -0.38 121.76 128.18 3kfg s ALA 25 Ca -0.08 0.07 -0.15 0.00 0.00 0.00 0.00 51.96 51.79 3kfg s ALA 25 Cb -0.13 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 22.96 3kfg s ALA 25 CO -0.02 -0.04 0.33 0.45 0.00 0.00 0.00 175.76 176.48 3kfg s SER 26 N -0.12 -0.20 0.00 0.00 0.15 -1.01 -0.34 113.70 112.19 3kfg s SER 26 Ca -0.02 0.05 0.23 0.00 0.70 0.00 0.00 55.95 56.92 3kfg s SER 26 Cb -0.01 0.33 1.36 0.00 -1.71 0.00 0.00 66.02 65.99 3kfg s SER 26 CO 0.00 -0.50 1.78 -0.90 1.20 0.00 0.00 173.24 174.82 3kfg n ASP 27 N 1.09 0.00 -3.72 5.45 5.68 -1.12 -4.14 116.55 119.79 3kfg n ASP 27 Ca -0.21 -0.96 -0.29 0.00 -0.50 0.00 0.00 54.79 52.83 3kfg n ASP 27 Cb 0.57 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.42 3kfg n ASP 27 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3kfg s LYS 28 N -2.00 1.54 0.39 0.11 2.20 -1.26 -4.98 119.74 115.74 3kfg s LYS 28 Ca 0.34 -2.37 0.09 0.00 -0.36 0.00 0.00 55.97 53.68 3kfg s LYS 28 Cb 0.16 -2.49 0.86 0.00 -1.51 0.00 0.00 37.83 34.85 3kfg s LYS 28 CO 0.26 -1.23 1.95 -0.09 -0.36 0.00 0.00 175.35 175.88 3kfg h ARG 29 N 6.22 0.60 -0.74 4.03 2.43 -1.94 -1.33 114.38 123.65 3kfg h ARG 29 Ca 0.07 -0.04 0.20 0.00 -0.81 0.00 0.00 59.98 59.40 3kfg h ARG 29 Cb 0.88 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.26 3kfg h ARG 29 CO 0.53 0.39 0.52 1.05 -1.51 0.00 0.00 179.97 180.96 3kfg h GLU 30 N 0.61 0.12 0.00 0.20 4.11 -1.95 -1.59 114.58 116.09 3kfg h GLU 30 Ca 0.33 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.75 3kfg h GLU 30 Cb 0.47 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3kfg h GLU 30 CO -0.11 0.08 0.00 0.87 0.07 0.00 0.00 179.01 179.92 3kfg h LYS 31 N 0.13 0.00 -0.03 1.06 1.79 -1.63 -3.04 116.57 114.84 3kfg h LYS 31 Ca 0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 3kfg h LYS 31 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 3kfg h LYS 31 CO -0.05 0.00 0.00 0.44 -1.08 0.00 0.00 179.45 178.76 3kfg n ILE 32 N -2.94 0.11 -1.30 1.86 -5.35 -0.64 -1.12 119.36 109.98 3kfg n ILE 32 Ca 0.02 -0.56 -0.29 0.00 -0.27 0.00 0.00 62.75 61.65 3kfg n ILE 32 Cb 0.35 1.08 0.16 0.00 -1.74 0.00 0.00 39.64 39.48 3kfg n ILE 32 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3kfg s GLU 33 N -0.64 0.77 0.30 6.28 2.02 -0.96 -4.65 118.70 121.82 3kfg s GLU 33 Ca 0.09 0.46 -0.28 0.00 0.02 0.00 0.00 54.97 55.27 3kfg s GLU 33 Cb 0.06 -1.78 -0.14 0.00 0.10 0.00 0.00 34.13 32.37 3kfg s GLU 33 CO 0.09 -2.49 1.01 0.39 0.02 0.00 0.00 175.26 174.28 3kfg n GLU 34 N -4.00 1.36 -0.79 1.61 1.02 -1.26 -0.41 120.64 118.17 3kfg n GLU 34 Ca 0.06 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 3kfg n GLU 34 Cb 0.58 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 3kfg n GLU 34 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3kfg n HIS 35 N 0.19 0.00 -2.73 -0.32 8.25 -1.26 -5.00 115.22 114.34 3kfg n HIS 35 Ca 0.09 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.21 3kfg n HIS 35 Cb 0.32 -0.72 -0.06 0.00 1.12 0.00 0.00 29.99 30.65 3kfg n HIS 35 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3kfg s GLY 36 N -2.00 2.50 0.50 -1.41 0.00 0.46 -4.95 107.32 102.42 3kfg s GLY 36 Ca 0.00 0.49 0.25 0.00 0.00 0.00 0.00 44.72 45.46 3kfg s GLY 36 CO 0.00 0.81 2.04 1.48 0.00 0.00 0.00 173.10 177.43 3kfg h SER 37 N 2.03 0.00 -0.55 1.64 4.64 -1.83 -2.46 113.55 117.02 3kfg h SER 37 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3kfg h SER 37 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3kfg h SER 37 CO 0.61 0.14 0.00 0.23 -0.87 0.00 0.00 176.83 176.94 3kfg n MET 38 N -3.75 2.54 -2.77 4.77 2.81 -0.28 -4.66 117.12 115.79 3kfg n MET 38 Ca -0.02 -2.37 -0.43 0.00 -1.81 0.00 0.00 57.70 53.07 3kfg n MET 38 Cb 0.25 -1.53 -0.01 0.00 -0.71 0.00 0.00 33.22 31.23 3kfg n MET 38 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 3kfg s ARG 39 N -1.27 3.90 0.09 0.03 3.52 -0.93 -4.84 118.95 119.45 3kfg s ARG 39 Ca 0.43 -2.03 0.05 0.00 -0.13 0.00 0.00 55.73 54.05 3kfg s ARG 39 Cb 0.23 -5.24 -0.03 0.00 -1.56 0.00 0.00 34.95 28.35 3kfg s ARG 39 CO 0.32 -2.00 -0.14 0.14 -0.81 0.00 0.00 175.30 172.81 3kfg s VAL 40 N 3.15 1.20 -0.20 7.11 -7.23 -1.26 -4.51 120.40 118.65 3kfg s VAL 40 Ca 0.45 -1.49 0.01 0.00 -1.81 0.00 0.00 61.98 59.14 3kfg s VAL 40 Cb -0.01 -1.28 0.05 0.00 0.56 0.00 0.00 36.38 35.70 3kfg s VAL 40 CO -0.01 -0.31 -0.09 -0.36 -0.31 0.00 0.00 175.10 174.02 3kfg s PHE 41 N -1.67 2.32 0.33 2.82 0.40 0.96 -4.95 117.98 118.19 3kfg s PHE 41 Ca 0.03 -1.55 -0.27 0.00 -0.60 0.00 0.00 56.93 54.53 3kfg s PHE 41 Cb -0.08 -1.58 -0.09 0.00 0.51 0.00 0.00 43.02 41.78 3kfg s PHE 41 CO 0.02 -0.73 1.12 0.54 0.70 0.00 0.00 175.22 176.87 3kfg s VAL 42 N 1.43 3.41 -0.13 -0.44 0.11 -1.26 -0.57 120.40 122.94 3kfg s VAL 42 Ca -0.02 1.30 -0.01 0.00 -2.93 0.00 0.00 61.98 60.32 3kfg s VAL 42 Cb -0.17 -3.78 -0.08 0.00 -1.53 0.00 0.00 36.38 30.83 3kfg s VAL 42 CO -0.08 0.22 -0.13 1.21 -3.33 0.00 0.00 175.10 173.00 3kfg n GLU 43 N 0.68 0.31 -3.69 1.54 2.13 0.75 -4.14 120.64 118.21 3kfg n GLU 43 Ca 0.01 0.09 -0.10 0.00 0.66 0.00 0.00 57.16 57.82 3kfg n GLU 43 Cb 0.46 -1.19 -0.05 0.00 0.27 0.00 0.00 31.44 30.93 3kfg n GLU 43 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 3kfg s HIS 44 N -2.25 -0.11 -0.15 4.31 -3.43 -1.13 -1.99 115.29 110.53 3kfg s HIS 44 Ca -0.17 -0.21 0.00 0.00 -0.80 0.00 0.00 55.06 53.87 3kfg s HIS 44 Cb 0.05 0.17 0.03 0.00 -1.43 0.00 0.00 32.58 31.40 3kfg s HIS 44 CO 0.28 -0.65 -0.12 0.42 -2.00 0.00 0.00 174.74 172.67 3kfg s ILE 45 N -3.72 1.46 -0.23 -5.38 1.01 -0.28 -1.86 121.20 112.20 3kfg s ILE 45 Ca 0.03 -0.62 -0.07 0.00 0.00 0.00 0.00 60.65 59.99 3kfg s ILE 45 Cb 0.02 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 3kfg s ILE 45 CO -0.11 0.39 0.05 -1.00 0.00 0.00 0.00 174.94 174.27 3kfg s HIS 46 N 1.52 3.09 -0.28 3.97 3.76 0.13 -0.90 115.29 126.57 3kfg s HIS 46 Ca 0.04 -0.38 -0.25 0.00 -0.15 0.00 0.00 55.06 54.33 3kfg s HIS 46 Cb -0.13 -2.18 0.00 0.00 1.11 0.00 0.00 32.58 31.38 3kfg s HIS 46 CO -0.10 -0.27 0.85 0.08 -0.85 0.00 0.00 174.74 174.45 3kfg s VAL 47 N 1.31 4.77 0.50 -0.90 1.01 -1.26 -0.54 120.40 125.29 3kfg s VAL 47 Ca 0.05 1.42 0.05 0.00 0.00 0.00 0.00 61.98 63.49 3kfg s VAL 47 Cb -0.15 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.06 3kfg s VAL 47 CO 0.03 -0.21 0.24 -0.76 0.00 0.00 0.00 175.10 174.40 3kfg s LEU 48 N 3.01 2.72 0.15 3.92 1.43 -0.20 -5.00 118.68 124.71 3kfg s LEU 48 Ca 0.35 -1.30 -0.20 0.00 -1.03 0.00 0.00 54.13 51.95 3kfg s LEU 48 Cb -0.14 -1.16 0.04 0.00 0.03 0.00 0.00 46.19 44.96 3kfg s LEU 48 CO 0.11 -0.89 1.65 -0.08 0.23 0.00 0.00 176.35 177.38 3kfg h GLU 49 N 1.08 -0.13 -0.25 1.70 4.57 -2.02 -3.16 114.58 116.37 3kfg h GLU 49 Ca -0.40 0.01 -0.22 0.00 -1.18 0.00 0.00 59.36 57.57 3kfg h GLU 49 Cb 1.29 0.03 -0.31 0.00 -0.16 0.00 0.00 28.75 29.60 3kfg h GLU 49 CO 0.65 -0.09 -0.90 0.09 -1.18 0.00 0.00 179.01 177.58 3kfg n ASN 50 N -5.33 2.00 -3.77 1.04 3.02 -1.26 -5.07 115.26 105.90 3kfg n ASN 50 Ca -0.00 -2.74 -0.08 0.00 -0.03 0.00 0.00 54.58 51.73 3kfg n ASN 50 Cb 0.24 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 38.99 3kfg n ASN 50 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3kfg s SER 51 N -3.04 -0.31 -0.10 6.41 1.04 -1.20 -1.45 113.70 115.05 3kfg s SER 51 Ca 0.36 -0.48 0.03 0.00 0.48 0.00 0.00 55.95 56.34 3kfg s SER 51 Cb 0.37 0.68 0.01 0.00 0.10 0.00 0.00 66.02 67.18 3kfg s SER 51 CO -0.08 -1.23 -0.18 -0.76 0.98 0.00 0.00 173.24 171.97 3kfg s LEU 52 N -2.88 1.87 -0.25 2.42 1.43 -0.04 -1.03 118.68 120.18 3kfg s LEU 52 Ca 0.09 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.65 3kfg s LEU 52 Cb -0.05 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 3kfg s LEU 52 CO 0.03 0.07 0.10 0.00 0.23 0.00 0.00 176.35 176.78 3kfg s ALA 53 N 0.71 3.28 -0.01 4.21 0.00 0.30 -0.74 121.76 129.51 3kfg s ALA 53 Ca -0.12 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 50.76 3kfg s ALA 53 Cb -0.16 -2.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.74 3kfg s ALA 53 CO 0.02 -0.48 -0.03 -0.06 0.00 0.00 0.00 175.76 175.22 3kfg s PHE 54 N 1.60 3.00 -0.09 0.00 0.40 0.97 0.17 117.98 124.03 3kfg s PHE 54 Ca 0.06 0.04 0.03 0.00 -0.60 0.00 0.00 56.93 56.47 3kfg s PHE 54 Cb -0.15 -1.66 -0.01 0.00 0.51 0.00 0.00 43.02 41.70 3kfg s PHE 54 CO 0.06 0.42 -0.18 0.21 0.70 0.00 0.00 175.22 176.42 3kfg s LYS 55 N -1.39 2.97 0.30 0.44 2.20 -0.78 -1.52 119.74 121.97 3kfg s LYS 55 Ca 0.17 -0.78 0.08 0.00 -0.36 0.00 0.00 55.97 55.08 3kfg s LYS 55 Cb -0.11 -2.41 -0.06 0.00 -1.51 0.00 0.00 37.83 33.74 3kfg s LYS 55 CO 0.08 0.32 -0.07 -0.06 -0.36 0.00 0.00 175.35 175.26 3kfg s PHE 56 N 0.04 2.10 0.25 4.03 0.08 0.69 -0.17 117.98 125.00 3kfg s PHE 56 Ca -0.07 -0.64 0.09 0.00 0.12 0.00 0.00 56.93 56.43 3kfg s PHE 56 Cb -0.15 -1.21 -0.04 0.00 -0.57 0.00 0.00 43.02 41.05 3kfg s PHE 56 CO 0.05 0.38 0.01 -1.01 -0.10 0.00 0.00 175.22 174.55 3kfg s HIS 57 N -2.88 2.74 0.11 0.36 3.76 0.26 -1.39 115.29 118.24 3kfg s HIS 57 Ca 0.31 -0.20 -0.10 0.00 -0.15 0.00 0.00 55.06 54.91 3kfg s HIS 57 Cb 0.03 -1.23 0.00 0.00 1.11 0.00 0.00 32.58 32.49 3kfg s HIS 57 CO 0.14 0.60 0.24 -0.08 -0.85 0.00 0.00 174.74 174.78 3kfg s THR 58 N -2.22 0.12 -0.24 1.30 -1.32 0.03 -0.03 115.64 113.29 3kfg s THR 58 Ca 0.31 -1.14 -0.09 0.00 -1.21 0.00 0.00 61.69 59.56 3kfg s THR 58 Cb -0.07 -1.41 -0.04 0.00 -1.51 0.00 0.00 72.50 69.47 3kfg s THR 58 CO 0.20 -0.54 0.12 -0.69 -2.21 0.00 0.00 174.62 171.50 3kfg s VAL 59 N -3.87 4.95 -0.17 5.08 1.01 -1.26 -0.46 120.40 125.68 3kfg s VAL 59 Ca 0.07 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.10 3kfg s VAL 59 Cb 0.04 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 33.14 3kfg s VAL 59 CO -0.09 0.35 -0.18 -0.63 0.00 0.00 0.00 175.10 174.54 3kfg s ILE 60 N 1.20 1.91 -1.57 2.22 1.01 0.22 -4.70 121.20 121.49 3kfg s ILE 60 Ca 0.06 -0.85 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 3kfg s ILE 60 Cb -0.14 -1.74 0.10 0.00 0.01 0.00 0.00 42.46 40.68 3kfg s ILE 60 CO 0.05 0.52 0.77 0.47 0.00 0.00 0.00 174.94 176.75 3kfg n ASP 61 N 4.66 -3.08 0.00 3.58 8.00 -1.26 -1.64 116.55 126.81 3kfg n ASP 61 Ca -0.20 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.38 3kfg n ASP 61 Cb 0.50 -3.24 0.00 0.00 -0.02 0.00 0.00 41.12 38.36 3kfg n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kfg n GLY 62 N -1.62 0.83 3.33 0.44 0.00 -1.26 -5.03 105.19 101.89 3kfg n GLY 62 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3kfg n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kfg s GLU 63 N -0.06 2.52 0.34 1.61 2.02 -0.65 -5.08 118.70 119.40 3kfg s GLU 63 Ca 0.00 -0.85 -0.27 0.00 0.02 0.00 0.00 54.97 53.87 3kfg s GLU 63 Cb 0.00 -2.22 -0.09 0.00 0.10 0.00 0.00 34.13 31.91 3kfg s GLU 63 CO 0.00 0.46 1.13 0.00 0.02 0.00 0.00 175.26 176.87 3kfg s SER 65 N -1.05 -0.06 0.06 0.00 0.15 0.40 -4.91 113.70 108.28 3kfg s SER 65 Ca 0.51 -0.26 -0.01 0.00 0.70 0.00 0.00 55.95 56.89 3kfg s SER 65 Cb -0.30 0.33 -0.04 0.00 -1.71 0.00 0.00 66.02 64.29 3kfg s SER 65 CO 0.39 -0.59 0.21 -1.61 1.20 0.00 0.00 173.24 172.84 3kfg s GLU 66 N -2.56 3.45 -0.03 5.44 2.02 -1.26 -0.79 118.70 124.97 3kfg s GLU 66 Ca -0.05 -0.41 0.01 0.00 0.02 0.00 0.00 54.97 54.54 3kfg s GLU 66 Cb -0.01 -3.04 0.02 0.00 0.10 0.00 0.00 34.13 31.20 3kfg s GLU 66 CO -0.04 0.61 -0.01 0.42 0.02 0.00 0.00 175.26 176.26 3kfg s ILE 67 N -1.50 0.26 -0.09 -1.63 1.01 -0.49 -4.93 121.20 113.84 3kfg s ILE 67 Ca 0.34 0.01 0.05 0.00 0.00 0.00 0.00 60.65 61.05 3kfg s ILE 67 Cb -0.13 -0.32 -0.00 0.00 0.01 0.00 0.00 42.46 42.02 3kfg s ILE 67 CO 0.27 0.15 -0.24 -0.36 0.00 0.00 0.00 174.94 174.75 3kfg s PHE 68 N 0.81 2.53 0.00 3.97 0.40 -1.26 -0.22 117.98 124.21 3kfg s PHE 68 Ca -0.09 -0.97 0.01 0.00 -0.60 0.00 0.00 56.93 55.29 3kfg s PHE 68 Cb -0.12 -1.68 -0.01 0.00 0.51 0.00 0.00 43.02 41.72 3kfg s PHE 68 CO -0.01 -0.37 -0.05 -0.51 0.70 0.00 0.00 175.22 174.98 3kfg s LEU 69 N 0.21 2.05 -0.14 -0.37 1.43 -0.58 -5.00 118.68 116.28 3kfg s LEU 69 Ca -0.15 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 3kfg s LEU 69 Cb -0.17 -0.21 -0.00 0.00 0.03 0.00 0.00 46.19 45.83 3kfg s LEU 69 CO 0.08 0.01 -0.16 -0.69 0.23 0.00 0.00 176.35 175.81 3kfg s VAL 70 N -0.31 2.62 -0.16 -1.59 1.01 -1.26 -0.02 120.40 120.69 3kfg s VAL 70 Ca -0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 3kfg s VAL 70 Cb -0.03 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 3kfg s VAL 70 CO -0.00 0.52 0.01 0.00 0.00 0.00 0.00 175.10 175.63 3kfg s ALA 71 N 0.65 3.19 0.07 5.51 0.00 0.08 -4.73 121.76 126.55 3kfg s ALA 71 Ca -0.08 -0.79 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 3kfg s ALA 71 Cb -0.16 -1.70 -0.06 0.00 0.00 0.00 0.00 23.12 21.20 3kfg s ALA 71 CO 0.02 0.23 0.41 -0.51 0.00 0.00 0.00 175.76 175.91 3kfg s ASP 72 N 0.27 6.67 0.45 0.00 1.01 -0.23 -0.86 116.67 123.97 3kfg s ASP 72 Ca -0.00 0.82 -0.25 0.00 0.71 0.00 0.00 52.55 53.83 3kfg s ASP 72 Cb -0.13 -2.19 -0.09 0.00 1.01 0.00 0.00 42.92 41.52 3kfg s ASP 72 CO 0.02 0.18 1.40 0.29 0.21 0.00 0.00 175.17 177.27 3kfg n LYS 73 N 0.99 2.18 -1.68 8.23 5.02 -0.53 -0.84 118.16 131.54 3kfg n LYS 73 Ca -0.08 0.78 -0.05 0.00 -2.02 0.00 0.00 58.31 56.94 3kfg n LYS 73 Cb 0.52 -2.58 0.01 0.00 -0.02 0.00 0.00 35.03 32.96 3kfg n LYS 73 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3kfg n THR 74 N -0.23 0.00 0.24 -0.18 -2.24 -0.26 -4.82 114.28 106.79 3kfg n THR 74 Ca 0.06 -0.43 0.13 0.00 -2.27 0.00 0.00 64.05 61.53 3kfg n THR 74 Cb 0.41 -0.67 0.51 0.00 -2.10 0.00 0.00 70.33 68.48 3kfg n THR 74 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3kfg h GLU 75 N 0.00 0.00 -6.01 -0.78 5.08 -1.95 -3.42 114.58 107.50 3kfg h GLU 75 Ca -0.06 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.73 3kfg h GLU 75 Cb 0.26 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 3kfg h GLU 75 CO 0.10 0.14 0.28 0.15 -1.00 0.00 0.00 179.01 178.67 3kfg s LYS 76 N -3.62 4.37 0.42 2.33 1.02 -1.26 -5.02 119.74 117.98 3kfg s LYS 76 Ca 0.01 1.00 -0.26 0.00 0.02 0.00 0.00 55.97 56.74 3kfg s LYS 76 Cb 0.09 -3.52 -0.09 0.00 -0.52 0.00 0.00 37.83 33.79 3kfg s LYS 76 CO 0.61 -0.17 1.39 0.00 -0.92 0.00 0.00 175.35 176.25 3kfg s ALA 77 N 1.58 3.30 0.00 5.17 0.00 -1.26 -1.65 121.76 128.90 3kfg s ALA 77 Ca 0.39 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.74 3kfg s ALA 77 Cb -0.17 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.40 3kfg s ALA 77 CO 0.16 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.30 3kfg n GLY 78 N 0.60 2.85 3.86 0.00 0.00 -1.26 -5.01 105.19 106.23 3kfg n GLY 78 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3kfg n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kfg s GLU 79 N -0.17 3.59 0.22 1.61 2.12 -0.66 -4.37 118.70 121.04 3kfg s GLU 79 Ca 0.00 -0.05 0.10 0.00 0.36 0.00 0.00 54.97 55.38 3kfg s GLU 79 Cb 0.00 -3.22 -0.05 0.00 0.26 0.00 0.00 34.13 31.13 3kfg s GLU 79 CO 0.00 0.72 -0.19 0.71 -0.54 0.00 0.00 175.26 175.95 3kfg s TYR 80 N -0.89 2.07 0.03 5.30 1.51 -0.09 -1.10 117.35 124.17 3kfg s TYR 80 Ca 0.16 -0.42 0.02 0.00 -1.01 0.00 0.00 57.07 55.82 3kfg s TYR 80 Cb -0.13 -0.96 -0.02 0.00 -0.11 0.00 0.00 41.96 40.74 3kfg s TYR 80 CO 0.05 0.51 -0.06 -1.54 -1.11 0.00 0.00 175.55 173.40 3kfg s SER 81 N -3.10 0.64 -0.18 2.29 1.04 -0.02 -0.85 113.70 113.52 3kfg s SER 81 Ca 0.23 -0.42 -0.18 0.00 0.48 0.00 0.00 55.95 56.06 3kfg s SER 81 Cb -0.05 0.03 0.05 0.00 0.10 0.00 0.00 66.02 66.15 3kfg s SER 81 CO 0.10 -0.16 0.52 0.54 0.98 0.00 0.00 173.24 175.22 3kfg s VAL 82 N -1.07 0.00 -0.23 5.02 0.11 -0.26 -1.07 120.40 122.90 3kfg s VAL 82 Ca -0.08 -0.02 -0.20 0.00 -2.93 0.00 0.00 61.98 58.74 3kfg s VAL 82 Cb -0.08 -0.73 -0.02 0.00 -1.53 0.00 0.00 36.38 34.02 3kfg s VAL 82 CO -0.00 -0.01 0.61 -0.04 -3.33 0.00 0.00 175.10 172.32 3kfg s MET 83 N 0.13 4.15 -0.30 1.54 -1.94 -1.26 -1.23 119.30 120.39 3kfg s MET 83 Ca -0.01 0.54 -0.10 0.00 -1.71 0.00 0.00 55.69 54.41 3kfg s MET 83 Cb -0.04 -3.61 0.17 0.00 2.01 0.00 0.00 34.83 33.36 3kfg s MET 83 CO 0.01 -0.31 0.84 -0.47 -0.01 0.00 0.00 175.02 175.07 3kfg s TYR 84 N 2.17 -1.02 -1.38 -0.03 5.04 -1.26 -4.94 117.35 115.93 3kfg s TYR 84 Ca 0.26 1.40 -0.00 0.00 -2.44 0.00 0.00 57.07 56.30 3kfg s TYR 84 Cb -0.16 0.48 -0.00 0.00 0.35 0.00 0.00 41.96 42.63 3kfg s TYR 84 CO 0.09 -0.53 0.47 -3.47 -1.34 0.00 0.00 175.55 170.77 3kfg n ASP 85 N 5.30 -0.49 0.00 4.32 2.03 -1.26 -4.52 116.55 121.93 3kfg n ASP 85 Ca -0.07 -0.97 0.00 0.00 0.52 0.00 0.00 54.79 54.27 3kfg n ASP 85 Cb 0.52 -3.25 0.00 0.00 -0.72 0.00 0.00 41.12 37.67 3kfg n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kfg n GLY 86 N -1.90 -1.06 3.33 0.27 0.00 -1.26 -4.81 105.19 99.76 3kfg n GLY 86 Ca -0.31 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.39 3kfg n GLY 86 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kfg s PHE 87 N 0.00 2.93 -0.03 1.61 5.36 0.02 -4.36 117.98 123.50 3kfg s PHE 87 Ca 0.00 -0.85 0.04 0.00 -0.96 0.00 0.00 56.93 55.15 3kfg s PHE 87 Cb 0.00 -2.04 -0.03 0.00 -0.34 0.00 0.00 43.02 40.61 3kfg s PHE 87 CO 0.00 -0.45 -0.13 -0.80 -1.46 0.00 0.00 175.22 172.38 3kfg s ASN 88 N 1.17 4.16 -0.00 6.13 0.01 -0.36 -0.00 114.94 126.04 3kfg s ASN 88 Ca 0.02 -0.19 0.06 0.00 -0.71 0.00 0.00 52.86 52.04 3kfg s ASN 88 Cb -0.14 -0.89 -0.02 0.00 0.41 0.00 0.00 41.25 40.61 3kfg s ASN 88 CO -0.02 0.33 -0.20 0.28 -1.51 0.00 0.00 177.10 175.99 3kfg s THR 89 N -0.80 1.58 0.10 1.60 -1.32 -0.12 -1.10 115.64 115.58 3kfg s THR 89 Ca 0.13 -0.92 -0.06 0.00 -1.21 0.00 0.00 61.69 59.62 3kfg s THR 89 Cb -0.11 -1.32 -0.01 0.00 -1.51 0.00 0.00 72.50 69.54 3kfg s THR 89 CO 0.02 0.39 0.14 0.72 -2.21 0.00 0.00 174.62 173.68 3kfg s PHE 90 N -0.54 0.34 0.25 9.09 -0.71 -0.03 -0.23 117.98 126.14 3kfg s PHE 90 Ca 0.07 -0.78 0.02 0.00 -1.04 0.00 0.00 56.93 55.21 3kfg s PHE 90 Cb -0.08 -0.17 -0.05 0.00 -1.21 0.00 0.00 43.02 41.51 3kfg s PHE 90 CO -0.00 -0.53 0.06 0.95 -1.34 0.00 0.00 175.22 174.35 3kfg s THR 91 N -3.91 0.78 -0.21 -4.49 -4.23 -0.30 -0.91 115.64 102.36 3kfg s THR 91 Ca 0.09 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.48 3kfg s THR 91 Cb 0.06 -2.53 -0.05 0.00 1.34 0.00 0.00 72.50 71.32 3kfg s THR 91 CO -0.08 -0.14 0.20 -0.63 -0.54 0.00 0.00 174.62 173.44 3kfg s ILE 92 N -3.60 5.34 -0.19 2.99 1.01 -1.26 -1.40 121.20 124.09 3kfg s ILE 92 Ca 0.34 0.31 -0.22 0.00 0.00 0.00 0.00 60.65 61.07 3kfg s ILE 92 Cb 0.07 -3.54 -0.21 0.00 0.01 0.00 0.00 42.46 38.79 3kfg s ILE 92 CO 0.12 0.36 0.31 -0.07 0.00 0.00 0.00 174.94 175.66 3kfg h LEU 93 N 7.22 0.02 -7.43 2.97 3.38 -1.17 -3.48 115.31 116.83 3kfg h LEU 93 Ca -0.39 -0.60 -0.13 0.00 0.09 0.00 0.00 57.88 56.85 3kfg h LEU 93 Cb 1.16 -0.01 -0.23 0.00 0.09 0.00 0.00 40.66 41.68 3kfg h LEU 93 CO 0.70 1.43 -0.29 -0.54 0.09 0.00 0.00 178.44 179.83 3kfg s LYS 94 N -2.35 0.52 0.02 1.13 -0.14 -1.22 -5.01 119.74 112.69 3kfg s LYS 94 Ca -0.27 0.20 -0.28 0.00 -1.36 0.00 0.00 55.97 54.26 3kfg s LYS 94 Cb 0.04 0.24 0.07 0.00 -1.68 0.00 0.00 37.83 36.51 3kfg s LYS 94 CO 0.62 -0.11 0.66 -0.08 -0.76 0.00 0.00 175.35 175.68 3kfg s THR 95 N -0.45 0.00 -0.45 2.17 -1.32 -1.26 -0.66 115.64 113.66 3kfg s THR 95 Ca -0.06 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.47 3kfg s THR 95 Cb -0.04 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.09 3kfg s THR 95 CO 0.02 0.00 1.07 -0.90 -2.21 0.00 0.00 174.62 172.60 3kfg n ASP 96 N 0.46 2.33 0.00 8.08 5.75 -1.06 -5.03 116.55 127.07 3kfg n ASP 96 Ca -0.18 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.68 3kfg n ASP 96 Cb 0.60 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 3kfg n ASP 96 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3kfg n TYR 97 N 0.00 0.00 0.79 2.11 4.01 -1.25 -4.45 117.16 118.38 3kfg n TYR 97 Ca 0.05 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.91 3kfg n TYR 97 Cb 0.31 0.00 0.19 0.00 -0.31 0.00 0.00 39.34 39.53 3kfg n TYR 97 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3kfg n ASP 98 N 2.08 3.01 0.06 7.72 3.85 -1.26 -4.73 116.55 127.27 3kfg n ASP 98 Ca 0.00 -1.95 0.00 0.00 -0.71 0.00 0.00 54.79 52.13 3kfg n ASP 98 Cb 0.00 -0.10 0.00 0.00 -1.35 0.00 0.00 41.12 39.67 3kfg n ASP 98 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3kfg n ASN 99 N 1.27 -0.02 -4.20 -1.12 3.02 -1.26 -4.74 115.26 108.22 3kfg n ASN 99 Ca 0.16 0.20 -0.14 0.00 -0.03 0.00 0.00 54.58 54.77 3kfg n ASN 99 Cb 0.57 0.14 -0.10 0.00 -0.61 0.00 0.00 39.78 39.78 3kfg n ASN 99 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3kfg s TYR 100 N -2.00 1.11 -0.09 3.10 1.13 -1.26 -1.01 117.35 118.32 3kfg s TYR 100 Ca 0.00 -0.73 -0.10 0.00 -1.41 0.00 0.00 57.07 54.83 3kfg s TYR 100 Cb 0.00 -0.59 0.03 0.00 -1.10 0.00 0.00 41.96 40.29 3kfg s TYR 100 CO 0.00 0.01 0.27 -1.50 -2.51 0.00 0.00 175.55 171.82 3kfg s ILE 101 N -2.90 0.01 -0.12 -3.49 2.07 -0.65 -2.57 121.20 113.55 3kfg s ILE 101 Ca 0.10 -0.06 0.03 0.00 -1.41 0.00 0.00 60.65 59.32 3kfg s ILE 101 Cb 0.00 -0.41 0.01 0.00 0.13 0.00 0.00 42.46 42.19 3kfg s ILE 101 CO -0.01 -0.03 -0.22 -0.04 -1.91 0.00 0.00 174.94 172.73 3kfg s MET 102 N -0.01 2.95 0.07 3.50 -1.94 0.16 -0.87 119.30 123.18 3kfg s MET 102 Ca -0.01 -0.84 0.06 0.00 -1.71 0.00 0.00 55.69 53.19 3kfg s MET 102 Cb -0.02 -2.31 -0.04 0.00 2.01 0.00 0.00 34.83 34.47 3kfg s MET 102 CO 0.01 0.08 -0.11 -0.06 -0.01 0.00 0.00 175.02 174.93 3kfg s PHE 103 N 0.58 2.74 -0.09 -0.03 0.40 -0.09 -0.55 117.98 120.93 3kfg s PHE 103 Ca -0.13 -0.15 0.03 0.00 -0.60 0.00 0.00 56.93 56.07 3kfg s PHE 103 Cb -0.17 -1.47 0.01 0.00 0.51 0.00 0.00 43.02 41.90 3kfg s PHE 103 CO 0.04 0.39 -0.17 -1.58 0.70 0.00 0.00 175.22 174.59 3kfg s HIS 104 N -1.12 2.03 0.02 0.36 5.65 -0.49 -1.57 115.29 120.17 3kfg s HIS 104 Ca 0.19 -0.87 0.05 0.00 0.25 0.00 0.00 55.06 54.69 3kfg s HIS 104 Cb -0.11 -1.42 -0.02 0.00 -1.18 0.00 0.00 32.58 29.85 3kfg s HIS 104 CO 0.11 -0.41 -0.15 -1.17 -0.65 0.00 0.00 174.74 172.48 3kfg s LEU 105 N 0.68 2.13 -0.15 8.88 0.20 0.18 -1.15 118.68 129.44 3kfg s LEU 105 Ca -0.13 -0.40 0.01 0.00 0.69 0.00 0.00 54.13 54.30 3kfg s LEU 105 Cb -0.16 -0.68 0.00 0.00 -0.43 0.00 0.00 46.19 44.92 3kfg s LEU 105 CO 0.03 0.09 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.38 3kfg s ILE 106 N -0.68 2.49 -0.14 6.68 -1.09 0.67 -0.86 121.20 128.27 3kfg s ILE 106 Ca 0.03 -0.83 -0.07 0.00 -2.23 0.00 0.00 60.65 57.55 3kfg s ILE 106 Cb -0.07 -2.03 -0.04 0.00 -1.58 0.00 0.00 42.46 38.73 3kfg s ILE 106 CO 0.01 0.53 0.10 0.21 -1.23 0.00 0.00 174.94 174.55 3kfg s ASN 107 N 0.79 6.01 -0.06 3.58 3.84 -0.33 -0.94 114.94 127.82 3kfg s ASN 107 Ca -0.06 0.29 0.05 0.00 0.21 0.00 0.00 52.86 53.35 3kfg s ASN 107 Cb -0.15 -1.95 -0.01 0.00 -0.55 0.00 0.00 41.25 38.58 3kfg s ASN 107 CO -0.00 0.31 -0.22 -0.70 -2.79 0.00 0.00 177.10 173.71 3kfg s GLU 108 N -0.46 2.63 -0.26 0.43 -6.30 1.00 -2.14 118.70 113.61 3kfg s GLU 108 Ca 0.11 -0.84 -0.13 0.00 -2.50 0.00 0.00 54.97 51.61 3kfg s GLU 108 Cb -0.12 -2.25 0.09 0.00 0.00 0.00 0.00 34.13 31.85 3kfg s GLU 108 CO 0.02 0.41 0.62 0.21 0.02 0.00 0.00 175.26 176.53 3kfg s LYS 109 N -0.21 0.60 -1.73 4.30 2.20 -0.48 -0.80 119.74 123.62 3kfg s LYS 109 Ca -0.01 1.19 0.00 0.00 -0.36 0.00 0.00 55.97 56.79 3kfg s LYS 109 Cb -0.13 0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.47 3kfg s LYS 109 CO 0.03 -0.17 0.00 -3.47 -0.36 0.00 0.00 175.35 171.38 3kfg n ASP 110 N 4.62 -5.64 0.00 1.43 4.64 -1.26 -1.60 116.55 118.74 3kfg n ASP 110 Ca -0.18 0.05 0.00 0.00 -1.38 0.00 0.00 54.79 53.28 3kfg n ASP 110 Cb 0.56 -4.72 0.00 0.00 -1.04 0.00 0.00 41.12 35.91 3kfg n ASP 110 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3kfg n GLY 111 N -0.94 0.46 3.76 0.27 0.00 -1.26 -5.01 105.19 102.47 3kfg n GLY 111 Ca -0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 3kfg n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kfg s LYS 112 N -0.45 2.82 0.20 1.61 -0.14 -0.63 -5.13 119.74 118.02 3kfg s LYS 112 Ca 0.00 -0.72 0.07 0.00 -1.36 0.00 0.00 55.97 53.96 3kfg s LYS 112 Cb 0.00 -2.69 -0.05 0.00 -1.68 0.00 0.00 37.83 33.41 3kfg s LYS 112 CO 0.00 0.56 -0.13 0.95 -0.76 0.00 0.00 175.35 175.97 3kfg s THR 113 N -1.38 1.58 0.12 2.17 -4.23 -1.26 -1.38 115.64 111.25 3kfg s THR 113 Ca 0.29 -2.17 -0.16 0.00 -1.18 0.00 0.00 61.69 58.47 3kfg s THR 113 Cb -0.12 -2.03 0.03 0.00 1.34 0.00 0.00 72.50 71.72 3kfg s THR 113 CO 0.21 -0.61 0.39 0.72 -0.54 0.00 0.00 174.62 174.79 3kfg s PHE 114 N -3.07 -0.18 -0.01 3.99 -0.12 -0.91 -5.00 117.98 112.68 3kfg s PHE 114 Ca 0.22 -0.12 -0.03 0.00 -0.05 0.00 0.00 56.93 56.94 3kfg s PHE 114 Cb 0.00 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.59 3kfg s PHE 114 CO 0.06 -0.68 0.19 -0.65 -0.05 0.00 0.00 175.22 174.09 3kfg s GLN 115 N -3.70 3.46 -0.06 1.99 -0.21 -1.26 -1.19 119.66 118.70 3kfg s GLN 115 Ca 0.02 -0.28 0.05 0.00 0.02 0.00 0.00 55.36 55.17 3kfg s GLN 115 Cb 0.02 -3.10 -0.01 0.00 1.00 0.00 0.00 33.01 30.93 3kfg s GLN 115 CO -0.11 0.67 -0.21 -0.51 -2.12 0.00 0.00 175.29 173.01 3kfg s LEU 116 N -1.89 1.99 0.05 2.90 1.43 -0.04 -2.81 118.68 120.30 3kfg s LEU 116 Ca 0.27 -0.44 0.08 0.00 -1.03 0.00 0.00 54.13 53.01 3kfg s LEU 116 Cb -0.13 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 3kfg s LEU 116 CO 0.18 0.19 -0.24 -0.04 0.23 0.00 0.00 176.35 176.67 3kfg s MET 117 N 0.00 1.61 -0.03 1.70 -1.94 0.54 -0.65 119.30 120.54 3kfg s MET 117 Ca -0.06 -1.04 0.01 0.00 -1.71 0.00 0.00 55.69 52.89 3kfg s MET 117 Cb -0.13 -1.76 0.02 0.00 2.01 0.00 0.00 34.83 34.96 3kfg s MET 117 CO 0.04 0.45 -0.03 -1.21 -0.01 0.00 0.00 175.02 174.26 3kfg s GLU 118 N -1.23 0.52 -0.24 2.03 2.02 -0.61 -1.03 118.70 120.17 3kfg s GLU 118 Ca 0.10 -0.07 -0.05 0.00 0.02 0.00 0.00 54.97 54.96 3kfg s GLU 118 Cb -0.09 -0.57 -0.01 0.00 0.10 0.00 0.00 34.13 33.55 3kfg s GLU 118 CO 0.02 -0.03 0.01 -1.17 0.02 0.00 0.00 175.26 174.10 3kfg s LEU 119 N 0.60 3.16 0.23 1.80 2.96 -0.42 -0.91 118.68 126.11 3kfg s LEU 119 Ca -0.07 -0.35 0.09 0.00 -0.22 0.00 0.00 54.13 53.58 3kfg s LEU 119 Cb -0.10 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 3kfg s LEU 119 CO -0.00 -0.04 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.66 3kfg s TYR 120 N 1.53 2.73 0.11 5.38 2.02 -0.04 -1.11 117.35 127.96 3kfg s TYR 120 Ca 0.06 -0.20 0.05 0.00 -0.37 0.00 0.00 57.07 56.61 3kfg s TYR 120 Cb -0.15 -1.26 -0.04 0.00 -0.40 0.00 0.00 41.96 40.12 3kfg s TYR 120 CO -0.00 0.58 -0.12 0.20 -1.57 0.00 0.00 175.55 174.63 3kfg s GLY 121 N -3.37 0.96 0.45 0.71 0.00 0.54 -1.63 107.32 104.98 3kfg s GLY 121 Ca 0.29 -1.24 0.25 0.00 0.00 0.00 0.00 44.72 44.02 3kfg s GLY 121 CO 0.19 -1.31 1.86 3.21 0.00 0.00 0.00 173.10 177.05 3kfg h ARG 122 N 3.53 0.00 -5.91 2.90 2.47 -1.36 0.15 114.38 116.17 3kfg h ARG 122 Ca -0.38 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 57.77 3kfg h ARG 122 Cb 1.19 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.43 3kfg h ARG 122 CO 0.52 0.21 -0.48 0.15 0.56 0.00 0.00 179.97 180.93 3kfg s LYS 123 N -3.70 2.25 0.00 0.04 1.02 -1.26 -4.77 119.74 113.32 3kfg s LYS 123 Ca 0.00 -1.84 0.16 0.00 0.02 0.00 0.00 55.97 54.31 3kfg s LYS 123 Cb 0.10 -2.01 0.70 0.00 -0.52 0.00 0.00 37.83 36.10 3kfg s LYS 123 CO 0.63 -0.16 1.49 0.00 -0.92 0.00 0.00 175.35 176.40 3kfg n ALA 124 N -1.29 1.75 -2.41 5.17 0.00 -1.26 -4.53 120.51 117.94 3kfg n ALA 124 Ca -0.01 -0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 3kfg n ALA 124 Cb 0.64 -1.26 -0.09 0.00 0.00 0.00 0.00 19.45 18.75 3kfg n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kfg s ASP 125 N -2.91 0.14 0.11 0.00 3.68 -1.26 -4.88 116.67 111.55 3kfg s ASP 125 Ca 0.09 -1.19 0.03 0.00 2.13 0.00 0.00 52.55 53.61 3kfg s ASP 125 Cb 0.10 0.40 -0.04 0.00 -1.45 0.00 0.00 42.92 41.93 3kfg s ASP 125 CO 0.28 -0.86 -0.09 -0.76 0.13 0.00 0.00 175.17 173.86 3kfg s LEU 126 N -3.08 2.45 1.00 -1.34 1.43 -1.26 -4.86 118.68 113.02 3kfg s LEU 126 Ca 0.29 -0.89 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 3kfg s LEU 126 Cb 0.05 -0.26 0.19 0.00 0.03 0.00 0.00 46.19 46.20 3kfg s LEU 126 CO 0.07 -0.32 1.09 0.54 0.23 0.00 0.00 176.35 177.96 3kfg s ASN 127 N -2.70 2.61 0.32 2.29 2.20 -1.26 -4.82 114.94 113.59 3kfg s ASN 127 Ca 0.09 1.24 0.07 0.00 -0.94 0.00 0.00 52.86 53.31 3kfg s ASN 127 Cb -0.00 -1.91 0.54 0.00 -2.00 0.00 0.00 41.25 37.88 3kfg s ASN 127 CO -0.01 -3.14 1.77 0.77 -2.94 0.00 0.00 177.10 173.55 3kfg h SER 128 N -1.90 0.29 0.13 3.54 4.64 -2.02 -2.13 113.55 116.10 3kfg h SER 128 Ca -0.54 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 60.67 3kfg h SER 128 Cb 1.32 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3kfg h SER 128 CO 0.57 0.58 -0.06 -0.78 -0.87 0.00 0.00 176.83 176.27 3kfg h ASP 129 N 0.26 -0.15 -0.71 4.97 3.58 -1.99 0.04 116.42 122.42 3kfg h ASP 129 Ca 0.04 -0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.36 3kfg h ASP 129 Cb 0.65 0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.71 3kfg h ASP 129 CO 0.05 -0.02 0.25 0.40 -2.88 0.00 0.00 179.24 177.04 3kfg h ILE 130 N -0.27 1.25 -0.40 2.25 2.04 -1.91 -1.34 117.51 119.13 3kfg h ILE 130 Ca -0.02 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 3kfg h ILE 130 Cb 0.22 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3kfg h ILE 130 CO 0.03 0.33 0.18 0.11 0.00 0.00 0.00 178.15 178.80 3kfg h LYS 131 N 1.03 0.58 -0.83 2.37 1.57 -1.30 -1.63 116.57 118.37 3kfg h LYS 131 Ca 0.23 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3kfg h LYS 131 Cb 0.26 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 3kfg h LYS 131 CO -0.01 0.52 0.50 0.93 -0.57 0.00 0.00 179.45 180.82 3kfg h GLU 132 N 0.50 1.12 -0.80 3.15 5.08 -0.60 0.04 114.58 123.08 3kfg h GLU 132 Ca 0.14 -0.10 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 3kfg h GLU 132 Cb 0.14 -0.23 -0.06 0.00 0.50 0.00 0.00 28.75 29.10 3kfg h GLU 132 CO -0.02 0.79 0.49 0.87 -1.00 0.00 0.00 179.01 180.14 3kfg h LYS 133 N 1.13 0.87 -0.52 2.33 1.57 -0.99 -1.34 116.57 119.62 3kfg h LYS 133 Ca 0.30 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 3kfg h LYS 133 Cb -0.04 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 3kfg h LYS 133 CO -0.06 0.57 0.29 0.35 -0.57 0.00 0.00 179.45 180.03 3kfg h PHE 134 N 0.89 0.72 -0.95 -1.35 3.57 -0.84 -1.78 116.94 117.21 3kfg h PHE 134 Ca 0.35 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.87 3kfg h PHE 134 Cb 0.16 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 38.62 3kfg h PHE 134 CO -0.04 0.53 0.62 0.28 -2.23 0.00 0.00 178.31 177.47 3kfg h VAL 135 N 0.70 1.15 -0.19 1.41 2.07 -0.57 -0.75 116.25 120.08 3kfg h VAL 135 Ca 0.18 -0.41 -0.12 0.00 0.82 0.00 0.00 66.70 67.18 3kfg h VAL 135 Cb 0.05 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.67 3kfg h VAL 135 CO -0.03 0.22 -0.38 0.11 0.02 0.00 0.00 177.57 177.51 3kfg h LYS 136 N 1.19 0.42 -0.50 1.57 1.79 -1.03 -1.49 116.57 118.52 3kfg h LYS 136 Ca 0.38 -0.20 -0.11 0.00 -2.18 0.00 0.00 60.65 58.54 3kfg h LYS 136 Cb 0.02 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.64 3kfg h LYS 136 CO -0.13 0.74 -0.13 -0.07 -1.08 0.00 0.00 179.45 178.79 3kfg h LEU 137 N 0.35 0.94 -0.04 2.94 3.38 -0.63 -1.26 115.31 121.00 3kfg h LEU 137 Ca 0.04 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.72 3kfg h LEU 137 Cb 0.83 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 3kfg h LEU 137 CO 0.07 1.07 -0.12 0.00 0.09 0.00 0.00 178.44 179.55 3kfg h GLU 139 N -0.18 0.36 0.00 0.00 5.08 -0.91 0.35 114.58 119.26 3kfg h GLU 139 Ca 0.06 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3kfg h GLU 139 Cb 0.26 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3kfg h GLU 139 CO -0.15 0.27 -0.07 0.93 -1.00 0.00 0.00 179.01 178.99 3kfg h GLU 140 N 0.37 0.00 -0.72 2.33 5.08 -0.92 -1.79 114.58 118.93 3kfg h GLU 140 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3kfg h GLU 140 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3kfg h GLU 140 CO -0.02 0.07 0.00 0.72 -1.00 0.00 0.00 179.01 178.79 3kfg n HIS 141 N -3.52 1.10 -0.85 4.33 8.25 -0.02 -4.95 115.22 119.57 3kfg n HIS 141 Ca -0.02 -0.52 0.00 0.00 -0.26 0.00 0.00 57.72 56.92 3kfg n HIS 141 Cb 0.20 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.26 3kfg n HIS 141 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kfg n GLY 142 N 1.55 0.56 3.49 -1.41 0.00 -0.67 -5.01 105.19 103.71 3kfg n GLY 142 Ca 0.25 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3kfg n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kfg s ILE 143 N -2.00 5.14 0.64 -0.61 1.01 -0.45 -4.87 121.20 120.06 3kfg s ILE 143 Ca 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 60.65 60.23 3kfg s ILE 143 Cb 0.00 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 3kfg s ILE 143 CO 0.00 -0.32 1.04 0.27 0.00 0.00 0.00 174.94 175.93 3kfg s ILE 144 N 2.02 4.49 0.34 2.92 -4.36 -1.26 -2.76 121.20 122.59 3kfg s ILE 144 Ca 0.11 0.82 0.07 0.00 -0.26 0.00 0.00 60.65 61.38 3kfg s ILE 144 Cb -0.17 -3.72 0.31 0.00 1.25 0.00 0.00 42.46 40.13 3kfg s ILE 144 CO 0.12 -1.05 1.88 0.50 0.24 0.00 0.00 174.94 176.63 3kfg h LYS 145 N -0.42 0.73 0.00 0.37 3.64 -1.96 0.08 116.57 119.00 3kfg h LYS 145 Ca -0.44 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3kfg h LYS 145 Cb 1.20 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 3kfg h LYS 145 CO 0.60 0.48 0.00 0.39 -2.27 0.00 0.00 179.45 178.66 3kfg n GLU 146 N -4.55 0.17 -0.80 1.90 4.71 -1.26 -2.48 120.64 118.32 3kfg n GLU 146 Ca 0.17 0.45 0.02 0.00 -0.01 0.00 0.00 57.16 57.79 3kfg n GLU 146 Cb 0.41 -1.86 0.32 0.00 -1.01 0.00 0.00 31.44 29.30 3kfg n GLU 146 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kfg n ASN 147 N -2.19 4.67 -4.09 1.62 4.13 0.02 -4.86 115.26 114.56 3kfg n ASN 147 Ca 0.01 -3.12 -0.32 0.00 1.68 0.00 0.00 54.58 52.83 3kfg n ASN 147 Cb 0.19 -0.66 -0.16 0.00 -1.54 0.00 0.00 39.78 37.60 3kfg n ASN 147 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3kfg s ILE 148 N -2.90 1.90 -0.13 2.41 1.01 -1.03 -2.40 121.20 120.05 3kfg s ILE 148 Ca 0.51 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 60.30 3kfg s ILE 148 Cb 0.40 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 3kfg s ILE 148 CO 0.12 0.51 -0.06 -0.63 0.00 0.00 0.00 174.94 174.88 3kfg s ILE 149 N 1.33 3.73 -0.62 2.92 1.01 0.49 -4.96 121.20 125.10 3kfg s ILE 149 Ca 0.04 -0.43 -0.22 0.00 0.00 0.00 0.00 60.65 60.04 3kfg s ILE 149 Cb -0.13 -2.59 0.07 0.00 0.01 0.00 0.00 42.46 39.82 3kfg s ILE 149 CO -0.12 0.53 0.89 -0.62 0.00 0.00 0.00 174.94 175.62 3kfg s ASP 150 N 0.04 6.20 0.00 3.58 3.68 -1.26 -1.66 116.67 127.24 3kfg s ASP 150 Ca -0.01 -1.00 0.20 0.00 2.13 0.00 0.00 52.55 53.87 3kfg s ASP 150 Cb -0.14 -2.39 0.93 0.00 -1.45 0.00 0.00 42.92 39.87 3kfg s ASP 150 CO 0.03 -1.32 1.63 0.18 0.13 0.00 0.00 175.17 175.82 3kfg n LEU 151 N 7.32 0.00 0.24 -1.34 4.77 0.03 -2.29 117.00 125.74 3kfg n LEU 151 Ca -0.05 0.39 0.16 0.00 -0.03 0.00 0.00 56.01 56.49 3kfg n LEU 151 Cb 0.45 -0.39 0.73 0.00 -2.33 0.00 0.00 43.42 41.88 3kfg n LEU 151 CO 0.62 -0.13 0.98 0.71 -1.33 0.00 0.00 177.39 178.25 3kfg h THR 152 N 0.00 0.00 -0.78 -5.08 1.35 -1.85 -2.29 112.91 104.26 3kfg h THR 152 Ca 0.00 -0.30 -0.38 0.00 -0.55 0.00 0.00 66.41 65.18 3kfg h THR 152 Cb 0.26 1.19 -0.23 0.00 -1.73 0.00 0.00 68.15 67.64 3kfg h THR 152 CO 0.00 0.00 0.40 0.29 -0.25 0.00 0.00 175.52 175.96 3kfg n LYS 153 N -2.80 2.30 -4.27 4.72 4.01 -0.97 -4.95 118.16 116.20 3kfg n LYS 153 Ca 0.00 -3.07 -0.15 0.00 -0.51 0.00 0.00 58.31 54.59 3kfg n LYS 153 Cb 0.22 -2.08 -0.10 0.00 -0.51 0.00 0.00 35.03 32.56 3kfg n LYS 153 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 3kfg s THR 154 N -3.25 0.47 -0.47 -0.18 -4.23 -0.86 -5.08 115.64 102.03 3kfg s THR 154 Ca 0.53 -1.99 -0.28 0.00 -1.18 0.00 0.00 61.69 58.77 3kfg s THR 154 Cb 0.45 -2.48 0.01 0.00 1.34 0.00 0.00 72.50 71.82 3kfg s THR 154 CO 0.08 -0.12 1.48 0.21 -0.54 0.00 0.00 174.62 175.73 3kfg s ASN 155 N -3.25 6.14 -0.01 3.99 3.84 -1.26 -4.83 114.94 119.56 3kfg s ASN 155 Ca 0.34 0.64 0.22 0.00 0.21 0.00 0.00 52.86 54.28 3kfg s ASN 155 Cb 0.07 -2.54 0.65 0.00 -0.55 0.00 0.00 41.25 38.88 3kfg s ASN 155 CO 0.11 -1.63 1.54 0.54 -2.79 0.00 0.00 177.10 174.87 3kfg n ARG 156 N 8.40 2.75 -3.15 0.43 1.74 -1.26 -4.91 116.66 120.67 3kfg n ARG 156 Ca 0.16 -2.64 -0.23 0.00 -0.77 0.00 0.00 57.85 54.37 3kfg n ARG 156 Cb 0.49 -1.59 0.04 0.00 -1.02 0.00 0.00 32.46 30.38 3kfg n ARG 156 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kfg h LEU 158 N -1.53 0.00 -1.08 0.00 3.38 -1.96 -1.30 115.31 112.82 3kfg h LEU 158 Ca -0.53 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 3kfg h LEU 158 Cb 1.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 3kfg h LEU 158 CO 0.57 0.18 -0.15 0.07 0.09 0.00 0.00 178.44 179.20 3kfg h LYS 159 N 0.00 0.00 -0.00 1.13 2.10 -2.03 -2.63 116.57 115.14 3kfg h LYS 159 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kfg h LYS 159 Cb 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 3kfg h LYS 159 CO 0.02 0.15 -0.01 0.00 -2.00 0.00 0.00 179.45 177.61 3kfg n ALA 160 N -2.17 2.38 0.80 0.07 0.00 -0.49 -5.24 120.51 115.86 3kfg n ALA 160 Ca 0.01 -0.11 0.06 0.00 0.00 0.00 0.00 53.44 53.40 3kfg n ALA 160 Cb 0.41 -1.47 0.38 0.00 0.00 0.00 0.00 19.45 18.77 3kfg n ALA 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04