#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfy n MET 2 N 0.00 0.00 -1.67 3.17 3.85 -1.26 -5.04 117.12 116.17 2kfy n MET 2 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 57.70 56.64 2kfy n MET 2 Cb 0.00 -0.13 -0.02 0.00 -1.05 0.00 0.00 33.22 32.03 2kfy n MET 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2kfy n LEU 3 N 0.00 -0.48 -3.83 3.17 4.77 -1.26 -4.80 117.00 114.58 2kfy n LEU 3 Ca 0.00 0.23 0.03 0.00 -0.03 0.00 0.00 56.01 56.24 2kfy n LEU 3 Cb 0.09 -1.32 0.01 0.00 -2.33 0.00 0.00 43.42 39.87 2kfy n LEU 3 CO 0.00 -0.21 1.15 -0.83 -1.33 0.00 0.00 177.39 176.16 2kfy s GLY 4 N -1.70 -0.29 0.91 -0.72 0.00 -1.26 -5.17 107.32 99.09 2kfy s GLY 4 Ca 0.00 0.41 -0.12 0.00 0.00 0.00 0.00 44.72 45.01 2kfy s GLY 4 CO 0.00 3.63 1.14 2.56 0.00 0.00 0.00 173.10 180.43 2kfy s PRO 5 N -2.09 1.12 0.23 2.90 0.04 -1.26 -5.11 135.00 130.83 2kfy s PRO 5 Ca 0.24 0.28 -0.06 0.00 0.04 0.00 0.00 61.00 61.49 2kfy s PRO 5 Cb 0.03 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 2kfy s PRO 5 CO -0.03 -2.21 0.30 -1.21 0.04 0.00 0.00 177.00 173.88 2kfy s GLU 6 N -5.29 1.39 0.00 4.56 0.41 -1.26 -5.03 118.70 113.48 2kfy s GLU 6 Ca 0.64 -1.48 0.00 0.00 -0.41 0.00 0.00 54.97 53.72 2kfy s GLU 6 Cb -0.15 0.36 0.00 0.00 -1.78 0.00 0.00 34.13 32.57 2kfy s GLU 6 CO 0.53 -0.52 0.00 0.41 -0.49 0.00 0.00 175.26 175.19 2kfy n GLY 7 N -0.34 0.55 2.85 -1.39 0.00 -1.26 -4.99 105.19 100.61 2kfy n GLY 7 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 2kfy n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfy n GLY 8 N 0.00 0.18 0.00 -0.02 0.00 -1.19 -4.82 105.19 99.34 2kfy n GLY 8 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2kfy n GLY 8 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kfy n GLU 9 N -0.70 0.00 -3.47 1.61 0.28 -1.14 -4.68 120.64 112.54 2kfy n GLU 9 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 2kfy n GLU 9 Cb 0.41 -0.08 0.00 0.00 1.43 0.00 0.00 31.44 33.20 2kfy n GLU 9 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kfy n GLY 10 N 0.00 -1.42 2.30 -1.84 0.00 -1.25 -4.70 105.19 98.28 2kfy n GLY 10 Ca 0.00 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 2kfy n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kfy n PHE 11 N 3.40 -0.44 -3.87 1.61 3.72 -1.26 -4.84 117.46 115.78 2kfy n PHE 11 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 2kfy n PHE 11 Cb 0.00 -2.77 -0.10 0.00 -0.94 0.00 0.00 39.48 35.67 2kfy n PHE 11 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2kfy s VAL 12 N -2.62 0.08 0.31 -4.37 1.01 -1.26 0.33 120.40 113.88 2kfy s VAL 12 Ca 0.00 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.31 2kfy s VAL 12 Cb 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 2kfy s VAL 12 CO 0.00 -0.38 0.13 0.68 0.00 0.00 0.00 175.10 175.53 2kfy s VAL 13 N -1.43 0.50 -0.02 2.92 -7.23 -0.47 -2.17 120.40 112.51 2kfy s VAL 13 Ca -0.15 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.09 2kfy s VAL 13 Cb -0.07 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.30 2kfy s VAL 13 CO 0.02 0.00 -0.22 -0.75 -0.31 0.00 0.00 175.10 173.84 2kfy s LYS 14 N -3.86 1.79 0.04 4.82 2.20 0.17 -1.43 119.74 123.47 2kfy s LYS 14 Ca 0.35 -0.79 0.07 0.00 -0.36 0.00 0.00 55.97 55.24 2kfy s LYS 14 Cb 0.06 -1.73 -0.02 0.00 -1.51 0.00 0.00 37.83 34.62 2kfy s LYS 14 CO 0.16 0.47 -0.21 -1.17 -0.36 0.00 0.00 175.35 174.24 2kfy s LEU 15 N -0.51 2.15 -0.36 5.43 1.98 0.18 -1.77 118.68 125.79 2kfy s LEU 15 Ca 0.08 -0.51 0.04 0.00 -2.89 0.00 0.00 54.13 50.85 2kfy s LEU 15 Cb -0.09 -1.01 0.16 0.00 0.66 0.00 0.00 46.19 45.92 2kfy s LEU 15 CO -0.01 0.18 0.44 -0.60 -1.89 0.00 0.00 176.35 174.47 2kfy s ARG 16 N -1.12 0.62 0.20 1.98 3.00 -0.71 -1.52 118.95 121.40 2kfy s ARG 16 Ca 0.08 -0.49 -0.23 0.00 -1.00 0.00 0.00 55.73 54.09 2kfy s ARG 16 Cb -0.09 -0.45 0.05 0.00 0.00 0.00 0.00 34.95 34.46 2kfy s ARG 16 CO 0.02 -1.16 0.73 0.20 0.00 0.00 0.00 175.30 175.09 2kfy s GLY 17 N 1.79 -0.32 0.31 8.12 0.00 -0.61 -1.18 107.32 115.43 2kfy s GLY 17 Ca 0.15 0.13 0.00 0.00 0.00 0.00 0.00 44.72 45.00 2kfy s GLY 17 CO -0.11 0.04 0.00 1.04 0.00 0.00 0.00 173.10 174.08 2kfy n LEU 18 N -0.42 -0.53 0.00 0.66 4.77 -1.13 -4.66 117.00 115.69 2kfy n LEU 18 Ca -0.09 1.22 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 2kfy n LEU 18 Cb 0.61 -2.05 0.00 0.00 -2.33 0.00 0.00 43.42 39.66 2kfy n LEU 18 CO 0.13 -1.37 0.00 -2.65 -1.33 0.00 0.00 177.39 172.17 2kfy n PRO 19 N -3.37 0.81 0.00 3.23 -0.02 -1.26 -4.72 135.00 129.67 2kfy n PRO 19 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 2kfy n PRO 19 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.85 2kfy n PRO 19 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2kfy n TRP 20 N -1.96 0.00 -3.72 6.00 5.03 -1.26 -4.46 117.44 117.07 2kfy n TRP 20 Ca 0.00 0.00 -0.10 0.00 3.03 0.00 0.00 57.50 60.43 2kfy n TRP 20 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 31.31 30.22 2kfy n TRP 20 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 2kfy s SER 21 N -1.96 -0.10 0.29 -0.99 0.15 -1.26 -4.46 113.70 105.37 2kfy s SER 21 Ca 0.00 -0.44 -0.19 0.00 0.70 0.00 0.00 55.95 56.02 2kfy s SER 21 Cb 0.00 0.42 0.02 0.00 -1.71 0.00 0.00 66.02 64.75 2kfy s SER 21 CO 0.00 -0.80 0.70 0.00 1.20 0.00 0.00 173.24 174.34 2kfy s SER 23 N -2.96 0.31 0.37 0.00 0.01 -1.26 -5.01 113.70 105.16 2kfy s SER 23 Ca 0.13 -0.86 0.27 0.00 1.31 0.00 0.00 55.95 56.80 2kfy s SER 23 Cb -0.05 0.27 1.18 0.00 0.21 0.00 0.00 66.02 67.63 2kfy s SER 23 CO 0.08 -0.67 1.82 -0.37 0.41 0.00 0.00 173.24 174.51 2kfy h VAL 24 N 2.95 0.00 0.00 3.43 -1.51 -2.00 -2.63 116.25 116.49 2kfy h VAL 24 Ca -0.34 -0.28 -0.16 0.00 -1.23 0.00 0.00 66.70 64.70 2kfy h VAL 24 Cb 1.17 1.07 -0.02 0.00 -2.13 0.00 0.00 31.29 31.38 2kfy h VAL 24 CO 0.61 0.00 -0.96 -0.33 -1.23 0.00 0.00 177.57 175.66 2kfy h GLU 25 N 0.00 0.00 0.24 5.19 5.08 -1.99 -2.92 114.58 120.18 2kfy h GLU 25 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 2kfy h GLU 25 Cb 0.35 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.64 2kfy h GLU 25 CO 0.00 0.54 -1.45 -0.44 -1.00 0.00 0.00 179.01 176.65 2kfy h ASP 26 N 0.00 0.80 -0.51 1.42 3.32 -1.90 -2.84 116.42 116.71 2kfy h ASP 26 Ca -0.07 -0.85 -0.12 0.00 0.02 0.00 0.00 57.03 56.01 2kfy h ASP 26 Cb 1.57 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 2kfy h ASP 26 CO 0.07 1.67 -0.13 1.62 -1.72 0.00 0.00 179.24 180.75 2kfy h VAL 27 N 0.14 1.27 0.00 -1.35 3.04 -1.64 -2.24 116.25 115.47 2kfy h VAL 27 Ca -0.24 -1.28 -0.07 0.00 -1.01 0.00 0.00 66.70 64.09 2kfy h VAL 27 Cb 2.15 1.00 -0.01 0.00 -2.01 0.00 0.00 31.29 32.41 2kfy h VAL 27 CO 0.27 0.45 -0.35 0.06 -1.01 0.00 0.00 177.57 176.99 2kfy h GLN 28 N 0.89 0.00 0.00 4.17 3.07 -1.61 -1.93 115.11 119.70 2kfy h GLN 28 Ca 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.83 2kfy h GLN 28 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.25 2kfy h GLN 28 CO 0.05 0.35 -0.20 -0.97 0.09 0.00 0.00 178.83 178.15 2kfy h ASN 29 N 0.00 0.00 0.36 0.06 -1.24 -1.23 -3.29 115.58 110.24 2kfy h ASN 29 Ca -0.00 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.69 2kfy h ASN 29 Cb 0.84 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.86 2kfy h ASN 29 CO 0.05 0.20 -1.75 0.15 -1.29 0.00 0.00 177.43 174.78 2kfy h PHE 30 N 0.00 0.28 -0.42 0.67 3.57 -0.77 -3.34 116.94 116.94 2kfy h PHE 30 Ca -0.00 -0.21 -0.48 0.00 3.53 0.00 0.00 57.97 60.81 2kfy h PHE 30 Cb 0.67 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.33 2kfy h PHE 30 CO 0.00 1.37 1.46 1.28 -2.23 0.00 0.00 178.31 180.19 2kfy n LEU 31 N -3.31 6.98 -4.61 0.59 7.99 -0.85 -4.97 117.00 118.82 2kfy n LEU 31 Ca -0.22 -3.99 -0.35 0.00 -0.01 0.00 0.00 56.01 51.44 2kfy n LEU 31 Cb 1.05 -1.41 0.10 0.00 -0.11 0.00 0.00 43.42 43.04 2kfy n LEU 31 CO 0.46 1.88 0.52 -0.24 -1.51 0.00 0.00 177.39 178.49 2kfy n SER 32 N 2.34 0.36 0.00 -1.43 2.88 -1.26 -2.16 113.62 114.35 2kfy n SER 32 Ca 0.58 0.63 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 2kfy n SER 32 Cb 0.53 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 2kfy n SER 32 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2kfy n ASP 33 N -1.90 0.00 -3.48 -3.46 8.00 -1.26 -4.90 116.55 109.55 2kfy n ASP 33 Ca 0.13 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.46 2kfy n ASP 33 Cb 0.50 -1.63 0.10 0.00 -0.02 0.00 0.00 41.12 40.07 2kfy n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kfy s THR 35 N -2.39 1.08 -0.21 0.00 2.01 -1.26 -5.08 115.64 109.79 2kfy s THR 35 Ca 0.46 -1.46 0.12 0.00 0.31 0.00 0.00 61.69 61.12 2kfy s THR 35 Cb -0.02 -1.21 0.43 0.00 0.01 0.00 0.00 72.50 71.72 2kfy s THR 35 CO 0.32 -0.36 1.21 -0.38 -0.69 0.00 0.00 174.62 174.71 2kfy n ILE 36 N 0.96 2.07 0.00 1.82 5.41 -1.26 -4.04 119.36 124.31 2kfy n ILE 36 Ca -0.19 -3.27 0.00 0.00 1.00 0.00 0.00 62.75 60.30 2kfy n ILE 36 Cb 0.56 -0.29 0.00 0.00 -0.71 0.00 0.00 39.64 39.19 2kfy n ILE 36 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 2kfy n HIS 37 N -0.88 0.00 -0.81 1.39 -0.00 -1.16 -2.09 115.22 111.67 2kfy n HIS 37 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.95 2kfy n HIS 37 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.78 2kfy n HIS 37 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2kfy n ASP 38 N 0.39 0.00 0.00 0.26 8.00 -1.26 -4.96 116.55 118.98 2kfy n ASP 38 Ca 0.00 -0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.27 2kfy n ASP 38 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2kfy n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kfy n GLY 39 N 0.00 1.09 0.00 0.44 0.00 -0.89 -4.19 105.19 101.64 2kfy n GLY 39 Ca 0.00 -1.07 0.01 0.00 0.00 0.00 0.00 46.02 44.97 2kfy n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfy n ALA 40 N 3.23 1.65 -1.13 4.61 0.00 -1.26 -1.24 120.51 126.37 2kfy n ALA 40 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.51 2kfy n ALA 40 Cb 0.00 -1.04 0.11 0.00 0.00 0.00 0.00 19.45 18.52 2kfy n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kfy n ALA 41 N -0.78 2.20 -0.61 0.00 0.00 -1.26 -4.59 120.51 115.47 2kfy n ALA 41 Ca 0.02 -2.30 0.00 0.00 0.00 0.00 0.00 53.44 51.16 2kfy n ALA 41 Cb 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.09 2kfy n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kfy n GLY 42 N -1.18 0.02 3.81 0.00 0.00 -0.37 -4.64 105.19 102.83 2kfy n GLY 42 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2kfy n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kfy s VAL 43 N -0.00 3.96 0.12 1.61 0.11 -1.23 -2.92 120.40 122.05 2kfy s VAL 43 Ca 0.00 0.82 -0.15 0.00 -2.93 0.00 0.00 61.98 59.72 2kfy s VAL 43 Cb 0.00 -3.42 0.03 0.00 -1.53 0.00 0.00 36.38 31.46 2kfy s VAL 43 CO 0.00 -0.65 0.37 -1.00 -3.33 0.00 0.00 175.10 170.49 2kfy s HIS 44 N -2.68 -0.13 0.22 1.54 3.76 -1.08 -4.99 115.29 111.92 2kfy s HIS 44 Ca 0.61 -0.20 -0.05 0.00 -0.15 0.00 0.00 55.06 55.27 2kfy s HIS 44 Cb -0.15 0.21 -0.03 0.00 1.11 0.00 0.00 32.58 33.73 2kfy s HIS 44 CO 0.43 -0.69 0.25 -0.06 -0.85 0.00 0.00 174.74 173.82 2kfy s PHE 45 N -3.82 0.90 -0.41 1.40 0.08 -1.26 -2.97 117.98 111.89 2kfy s PHE 45 Ca 0.04 -1.16 0.11 0.00 0.12 0.00 0.00 56.93 56.03 2kfy s PHE 45 Cb 0.02 -0.31 0.35 0.00 -0.57 0.00 0.00 43.02 42.51 2kfy s PHE 45 CO -0.11 -0.76 0.77 -0.89 -0.10 0.00 0.00 175.22 174.13 2kfy n ILE 46 N -0.31 0.49 -3.67 0.64 5.41 -0.98 -4.85 119.36 116.09 2kfy n ILE 46 Ca 0.01 -4.79 -0.05 0.00 1.00 0.00 0.00 62.75 58.92 2kfy n ILE 46 Cb 0.65 -0.49 -0.01 0.00 -0.71 0.00 0.00 39.64 39.08 2kfy n ILE 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2kfy n TYR 47 N 0.17 -0.85 -4.27 1.39 4.11 -1.26 -4.57 117.16 111.88 2kfy n TYR 47 Ca 0.26 -0.75 -0.17 0.00 -0.00 0.00 0.00 57.90 57.23 2kfy n TYR 47 Cb 0.61 0.20 -0.09 0.00 -0.00 0.00 0.00 39.34 40.05 2kfy n TYR 47 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 2kfy s THR 48 N -2.58 0.04 0.31 -3.48 -4.23 -1.26 -4.84 115.64 99.60 2kfy s THR 48 Ca 0.09 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.90 2kfy s THR 48 Cb -0.00 -2.50 0.30 0.00 1.34 0.00 0.00 72.50 71.64 2kfy s THR 48 CO 0.06 0.00 1.91 0.08 -0.54 0.00 0.00 174.62 176.14 2kfy h ARG 49 N 2.27 0.00 -0.17 3.99 -0.00 -2.04 -2.00 114.38 116.43 2kfy h ARG 49 Ca -0.29 0.00 -0.20 0.00 -0.00 0.00 0.00 59.98 59.49 2kfy h ARG 49 Cb 1.24 0.00 -0.33 0.00 -0.00 0.00 0.00 29.97 30.87 2kfy h ARG 49 CO 0.43 0.00 -0.89 -1.91 -0.00 0.00 0.00 179.97 177.60 2kfy n GLU 50 N -2.64 0.88 -0.12 0.08 4.07 -1.26 -4.95 120.64 116.70 2kfy n GLU 50 Ca -0.02 -2.40 -0.23 0.00 -0.06 0.00 0.00 57.16 54.45 2kfy n GLU 50 Cb 0.16 -0.54 -0.11 0.00 -0.06 0.00 0.00 31.44 30.88 2kfy n GLU 50 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kfy n GLY 51 N -0.26 -0.45 1.87 8.31 0.00 -0.75 -5.02 105.19 108.88 2kfy n GLY 51 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2kfy n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kfy n ARG 52 N -3.75 0.00 -0.19 1.61 5.12 -1.26 -4.87 116.66 113.33 2kfy n ARG 52 Ca -0.47 0.08 0.04 0.00 -1.93 0.00 0.00 57.85 55.57 2kfy n ARG 52 Cb 0.93 -2.95 0.13 0.00 -1.16 0.00 0.00 32.46 29.41 2kfy n ARG 52 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2kfy n GLN 53 N -2.93 1.83 0.00 5.56 3.00 -1.26 -4.32 117.38 119.26 2kfy n GLN 53 Ca 0.00 -1.07 0.00 0.00 -0.01 0.00 0.00 57.00 55.92 2kfy n GLN 53 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 30.24 28.90 2kfy n GLN 53 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2kfy n SER 54 N 0.32 0.00 -0.45 1.08 3.41 -1.26 -0.68 113.62 116.04 2kfy n SER 54 Ca 0.10 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.84 2kfy n SER 54 Cb 0.32 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.72 2kfy n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kfy n GLY 55 N -0.86 -0.10 3.28 5.00 0.00 -1.26 -3.82 105.19 107.43 2kfy n GLY 55 Ca 0.00 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 2kfy n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kfy s GLU 56 N -2.13 2.32 0.32 1.61 8.01 0.14 -1.57 118.70 127.40 2kfy s GLU 56 Ca 0.34 -0.90 -0.13 0.00 0.01 0.00 0.00 54.97 54.29 2kfy s GLU 56 Cb 0.20 -2.07 0.05 0.00 -4.31 0.00 0.00 34.13 28.01 2kfy s GLU 56 CO 0.38 0.44 0.71 0.00 0.01 0.00 0.00 175.26 176.80 2kfy n ALA 57 N 2.76 -1.63 -2.18 5.21 0.00 -0.58 -2.33 120.51 121.76 2kfy n ALA 57 Ca -0.17 -1.06 -0.11 0.00 0.00 0.00 0.00 53.44 52.10 2kfy n ALA 57 Cb 0.52 0.82 -0.10 0.00 0.00 0.00 0.00 19.45 20.68 2kfy n ALA 57 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2kfy s PHE 58 N -3.07 0.93 -0.19 0.00 0.08 -1.16 -0.64 117.98 113.92 2kfy s PHE 58 Ca 0.14 -1.07 -0.04 0.00 0.12 0.00 0.00 56.93 56.09 2kfy s PHE 58 Cb -0.04 -0.55 0.09 0.00 -0.57 0.00 0.00 43.02 41.95 2kfy s PHE 58 CO 0.09 -0.31 0.22 0.08 -0.10 0.00 0.00 175.22 175.20 2kfy s VAL 59 N -3.80 -0.33 0.48 -0.44 1.01 -0.51 -2.64 120.40 114.17 2kfy s VAL 59 Ca 0.19 -0.08 -0.21 0.00 0.00 0.00 0.00 61.98 61.88 2kfy s VAL 59 Cb 0.07 -0.65 -0.08 0.00 0.00 0.00 0.00 36.38 35.71 2kfy s VAL 59 CO -0.01 -0.18 1.04 -1.61 0.00 0.00 0.00 175.10 174.35 2kfy s GLU 60 N 2.33 3.82 0.00 2.72 2.02 -1.15 -1.37 118.70 127.07 2kfy s GLU 60 Ca 0.06 1.39 0.00 0.00 0.02 0.00 0.00 54.97 56.45 2kfy s GLU 60 Cb -0.15 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 31.93 2kfy s GLU 60 CO -0.12 -0.42 0.00 1.28 0.02 0.00 0.00 175.26 176.03 2kfy n LEU 61 N -0.87 0.00 0.00 1.80 4.77 0.15 -3.00 117.00 119.85 2kfy n LEU 61 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2kfy n LEU 61 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2kfy n LEU 61 CO 0.40 0.00 -0.49 0.61 -1.33 0.00 0.00 177.39 176.58 2kfy n GLY 62 N 3.71 0.00 3.49 -0.72 0.00 -1.26 -3.95 105.19 106.45 2kfy n GLY 62 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2kfy n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfy s SER 63 N -2.03 -0.06 0.44 1.61 0.01 -1.26 -5.02 113.70 107.39 2kfy s SER 63 Ca 0.00 -0.90 0.10 0.00 1.31 0.00 0.00 55.95 56.46 2kfy s SER 63 Cb 0.00 0.53 0.97 0.00 0.21 0.00 0.00 66.02 67.73 2kfy s SER 63 CO 0.00 -1.04 2.07 -0.08 0.41 0.00 0.00 173.24 174.60 2kfy h GLU 64 N 2.35 0.36 0.00 12.44 4.81 -1.96 -2.06 114.58 130.52 2kfy h GLU 64 Ca -0.29 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.85 2kfy h GLU 64 Cb 1.25 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2kfy h GLU 64 CO 0.40 0.26 -0.33 -0.44 -0.73 0.00 0.00 179.01 178.17 2kfy h ASP 65 N 0.37 0.00 0.28 1.04 3.32 -1.99 -1.73 116.42 117.72 2kfy h ASP 65 Ca 0.10 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.90 2kfy h ASP 65 Cb -0.01 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.55 2kfy h ASP 65 CO -0.02 0.33 -1.04 0.44 -1.72 0.00 0.00 179.24 177.24 2kfy h ASP 66 N 0.00 0.64 -0.19 6.45 3.32 -1.76 -2.26 116.42 122.61 2kfy h ASP 66 Ca -0.00 -0.54 -0.17 0.00 0.02 0.00 0.00 57.03 56.34 2kfy h ASP 66 Cb 0.60 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 2kfy h ASP 66 CO 0.04 1.35 -0.50 1.62 -1.72 0.00 0.00 179.24 180.04 2kfy h VAL 67 N 0.25 1.29 -0.22 -1.35 3.04 -1.29 0.01 116.25 117.98 2kfy h VAL 67 Ca -0.11 -1.69 -0.01 0.00 -1.01 0.00 0.00 66.70 63.88 2kfy h VAL 67 Cb 1.69 1.60 -0.01 0.00 -2.01 0.00 0.00 31.29 32.57 2kfy h VAL 67 CO 0.19 0.55 0.10 0.11 -1.01 0.00 0.00 177.57 177.51 2kfy h LYS 68 N 0.60 0.32 0.00 4.17 1.57 -1.37 -2.63 116.57 119.23 2kfy h LYS 68 Ca 0.03 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 2kfy h LYS 68 Cb 1.07 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 2kfy h LYS 68 CO 0.11 0.34 -0.26 0.52 -0.57 0.00 0.00 179.45 179.59 2kfy h MET 69 N 0.22 0.00 0.00 3.15 2.86 -1.27 -2.47 114.93 117.42 2kfy h MET 69 Ca 0.08 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 2kfy h MET 69 Cb 0.13 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 2kfy h MET 69 CO -0.01 0.26 -0.43 0.00 1.06 0.00 0.00 176.91 177.79 2kfy h ALA 70 N 1.74 0.94 0.00 6.32 0.00 -0.78 -2.97 119.26 124.51 2kfy h ALA 70 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2kfy h ALA 70 Cb 0.48 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2kfy h ALA 70 CO 0.03 0.54 -0.15 1.28 0.00 0.00 0.00 179.25 180.95 2kfy n LEU 71 N -3.52 0.76 0.00 0.00 4.77 -0.94 -3.70 117.00 114.37 2kfy n LEU 71 Ca -0.00 0.49 0.06 0.00 -0.03 0.00 0.00 56.01 56.53 2kfy n LEU 71 Cb 0.56 -0.29 0.37 0.00 -2.33 0.00 0.00 43.42 41.73 2kfy n LEU 71 CO 0.38 -0.14 0.61 0.29 -1.33 0.00 0.00 177.39 177.20 2kfy n LYS 72 N -2.19 0.36 -0.51 3.23 4.76 -1.12 -2.54 118.16 120.16 2kfy n LYS 72 Ca 0.05 0.03 0.05 0.00 -2.87 0.00 0.00 58.31 55.57 2kfy n LYS 72 Cb 0.43 -1.50 0.08 0.00 -1.84 0.00 0.00 35.03 32.20 2kfy n LYS 72 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2kfy n LYS 73 N -1.06 0.66 0.00 1.97 0.00 -1.24 -4.91 118.16 113.58 2kfy n LYS 73 Ca 0.09 -2.00 0.00 0.00 -0.00 0.00 0.00 58.31 56.40 2kfy n LYS 73 Cb 0.06 -0.92 0.00 0.00 -0.00 0.00 0.00 35.03 34.16 2kfy n LYS 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2kfy n ASP 74 N -0.58 0.00 -0.53 -5.58 5.75 -1.05 -2.55 116.55 112.02 2kfy n ASP 74 Ca 0.09 0.20 -0.01 0.00 -0.01 0.00 0.00 54.79 55.06 2kfy n ASP 74 Cb 0.74 -0.20 -0.01 0.00 -1.03 0.00 0.00 41.12 40.62 2kfy n ASP 74 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2kfy n ARG 75 N -1.20 0.00 0.00 0.11 1.85 -1.25 -2.04 116.66 114.13 2kfy n ARG 75 Ca 0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 57.85 56.70 2kfy n ARG 75 Cb 0.29 0.08 0.00 0.00 -1.05 0.00 0.00 32.46 31.78 2kfy n ARG 75 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 2kfy n GLU 76 N 0.00 0.27 0.00 2.89 0.28 -1.06 -4.59 120.64 118.43 2kfy n GLU 76 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 2kfy n GLU 76 Cb 0.48 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.35 2kfy n GLU 76 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2kfy n SER 77 N -1.27 1.01 0.00 -1.84 3.41 -1.26 -1.08 113.62 112.59 2kfy n SER 77 Ca 0.00 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 2kfy n SER 77 Cb 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 2kfy n SER 77 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2kfy n MET 78 N 0.00 0.00 0.00 4.33 1.56 -1.26 -0.98 117.12 120.77 2kfy n MET 78 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 2kfy n MET 78 Cb 0.01 -2.29 0.00 0.00 2.15 0.00 0.00 33.22 33.09 2kfy n MET 78 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2kfy n GLY 79 N -0.61 1.20 0.00 -5.12 0.00 -1.26 -4.94 105.19 94.46 2kfy n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kfy n GLY 79 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kfy n HIS 80 N 0.00 0.00 0.00 1.61 8.25 -1.02 -5.13 115.22 118.93 2kfy n HIS 80 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kfy n HIS 80 Cb 0.00 0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.15 2kfy n HIS 80 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2kfy n ARG 81 N 0.00 0.00 -3.65 -0.41 3.00 -0.15 -5.15 116.66 110.31 2kfy n ARG 81 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.81 2kfy n ARG 81 Cb 0.33 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.74 2kfy n ARG 81 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 2kfy s TYR 82 N 2.48 -1.22 0.36 -0.14 5.04 -1.24 -4.41 117.35 118.23 2kfy s TYR 82 Ca 0.00 2.22 0.07 0.00 -2.44 0.00 0.00 57.07 56.92 2kfy s TYR 82 Cb 0.00 0.72 -0.07 0.00 0.35 0.00 0.00 41.96 42.96 2kfy s TYR 82 CO 0.00 -0.61 -0.01 0.42 -1.34 0.00 0.00 175.55 174.01 2kfy s ILE 83 N 2.43 1.85 0.01 3.14 -1.09 -0.24 -2.86 121.20 124.44 2kfy s ILE 83 Ca -0.07 -2.06 -0.12 0.00 -2.23 0.00 0.00 60.65 56.16 2kfy s ILE 83 Cb -0.10 -2.82 0.02 0.00 -1.58 0.00 0.00 42.46 37.98 2kfy s ILE 83 CO -0.19 -0.08 0.26 -1.61 -1.23 0.00 0.00 174.94 172.09 2kfy s GLU 84 N -3.73 0.66 0.00 2.79 2.02 -0.32 -3.97 118.70 116.15 2kfy s GLU 84 Ca 0.34 -0.35 -0.08 0.00 0.02 0.00 0.00 54.97 54.90 2kfy s GLU 84 Cb 0.07 0.29 0.00 0.00 0.10 0.00 0.00 34.13 34.59 2kfy s GLU 84 CO 0.16 -0.18 0.16 0.08 0.02 0.00 0.00 175.26 175.50 2kfy s VAL 85 N -1.72 0.08 0.10 2.63 1.01 -0.86 -1.74 120.40 119.90 2kfy s VAL 85 Ca -0.11 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 2kfy s VAL 85 Cb -0.04 -0.49 -0.00 0.00 0.00 0.00 0.00 36.38 35.84 2kfy s VAL 85 CO 0.01 -0.38 0.20 -0.36 0.00 0.00 0.00 175.10 174.58 2kfy s PHE 86 N -1.47 0.22 0.70 5.22 0.08 -0.73 -4.66 117.98 117.34 2kfy s PHE 86 Ca -0.14 -0.63 -0.14 0.00 0.12 0.00 0.00 56.93 56.14 2kfy s PHE 86 Cb -0.07 -0.07 0.02 0.00 -0.57 0.00 0.00 43.02 42.33 2kfy s PHE 86 CO 0.02 -0.58 1.12 0.21 -0.10 0.00 0.00 175.22 175.89 2kfy s LYS 87 N -3.89 2.54 0.38 0.44 2.20 -1.26 -0.65 119.74 119.50 2kfy s LYS 87 Ca 0.08 1.42 0.06 0.00 -0.36 0.00 0.00 55.97 57.16 2kfy s LYS 87 Cb 0.05 -1.91 -0.02 0.00 -1.51 0.00 0.00 37.83 34.43 2kfy s LYS 87 CO -0.09 -1.46 0.22 0.45 -0.36 0.00 0.00 175.35 174.12 2kfy n SER 88 N -2.72 0.21 -0.45 1.43 2.88 -0.92 -4.50 113.62 109.55 2kfy n SER 88 Ca 0.11 -3.25 0.00 0.00 -1.33 0.00 0.00 58.87 54.39 2kfy n SER 88 Cb 0.52 1.41 0.00 0.00 -0.75 0.00 0.00 64.21 65.39 2kfy n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kfy n HIS 89 N -0.80 0.00 0.00 0.66 1.44 -1.26 -3.87 115.22 111.39 2kfy n HIS 89 Ca 0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 2kfy n HIS 89 Cb 0.63 0.16 0.00 0.00 0.12 0.00 0.00 29.99 30.89 2kfy n HIS 89 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 2kfy n ARG 90 N 0.00 0.00 -0.16 -1.40 0.63 -1.26 -2.90 116.66 111.57 2kfy n ARG 90 Ca 0.00 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 2kfy n ARG 90 Cb 0.55 -0.57 0.15 0.00 0.45 0.00 0.00 32.46 33.04 2kfy n ARG 90 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 2kfy h THR 91 N 0.00 1.24 -0.32 5.15 2.02 -1.88 0.38 112.91 119.50 2kfy h THR 91 Ca 0.00 -0.90 -0.15 0.00 0.77 0.00 0.00 66.41 66.13 2kfy h THR 91 Cb 0.00 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 2kfy h THR 91 CO 0.00 0.33 -0.37 -0.08 0.37 0.00 0.00 175.52 175.77 2kfy h GLU 92 N 0.86 0.82 -0.24 6.66 4.57 -1.97 -2.87 114.58 122.40 2kfy h GLU 92 Ca 0.18 -0.45 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 2kfy h GLU 92 Cb 0.35 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 2kfy h GLU 92 CO 0.00 1.09 0.15 1.98 -1.18 0.00 0.00 179.01 181.05 2kfy h MET 93 N 0.60 0.32 0.00 1.92 4.05 -1.79 -2.32 114.93 117.70 2kfy h MET 93 Ca 0.04 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.40 2kfy h MET 93 Cb 0.96 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.69 2kfy h MET 93 CO 0.09 0.24 -0.19 0.22 0.23 0.00 0.00 176.91 177.49 2kfy h ASP 94 N 0.30 0.00 1.82 1.39 3.58 -0.97 -0.11 116.42 122.42 2kfy h ASP 94 Ca 0.09 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 2kfy h ASP 94 Cb -0.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.04 2kfy h ASP 94 CO -0.02 0.19 -0.16 -0.25 -2.88 0.00 0.00 179.24 176.13 2kfy h TRP 95 N 0.00 0.00 0.00 0.28 7.01 -1.20 -3.35 115.95 118.69 2kfy h TRP 95 Ca -0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2kfy h TRP 95 Cb 0.37 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.43 2kfy h TRP 95 CO 0.00 0.16 -0.09 1.55 -2.79 0.00 0.00 178.44 177.26 2kfy n VAL 96 N -3.14 0.00 0.14 2.65 3.14 -0.98 -4.47 118.33 115.66 2kfy n VAL 96 Ca 0.03 -0.45 0.04 0.00 -2.96 0.00 0.00 64.34 61.00 2kfy n VAL 96 Cb 0.59 0.97 0.20 0.00 -1.06 0.00 0.00 33.84 34.54 2kfy n VAL 96 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2kfy n LEU 97 N -1.05 0.16 -0.85 6.55 7.99 -0.08 -2.06 117.00 127.66 2kfy n LEU 97 Ca 0.00 0.57 0.00 0.00 -0.01 0.00 0.00 56.01 56.57 2kfy n LEU 97 Cb 0.01 -0.58 0.00 0.00 -0.11 0.00 0.00 43.42 42.74 2kfy n LEU 97 CO 0.01 -0.56 0.24 0.29 -1.51 0.00 0.00 177.39 175.86 2kfy n LYS 98 N -1.71 0.56 -1.65 3.23 4.76 -1.26 -4.71 118.16 117.39 2kfy n LYS 98 Ca 0.00 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.25 2kfy n LYS 98 Cb 0.05 -1.24 -0.07 0.00 -1.84 0.00 0.00 35.03 31.92 2kfy n LYS 98 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2kfy n HIS 99 N 0.57 -0.10 -1.27 2.13 8.25 -1.08 -4.77 115.22 118.95 2kfy n HIS 99 Ca 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.63 2kfy n HIS 99 Cb 0.24 -3.31 -0.04 0.00 1.12 0.00 0.00 29.99 28.00 2kfy n HIS 99 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kfy n SER 100 N -1.17 -7.53 -3.76 0.41 2.88 -0.88 -4.86 113.62 98.71 2kfy n SER 100 Ca -0.20 0.50 0.03 0.00 -1.33 0.00 0.00 58.87 57.87 2kfy n SER 100 Cb 0.64 -3.90 0.01 0.00 -0.75 0.00 0.00 64.21 60.21 2kfy n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kfy n GLY 101 N -3.78 0.23 0.00 0.46 0.00 -1.26 -5.09 105.19 95.75 2kfy n GLY 101 Ca 0.01 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2kfy n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27