#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0a n GLY 0 N 0.00 0.50 2.48 -0.02 0.00 -1.26 -3.73 105.19 103.16 2k0a n GLY 0 Ca 0.00 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 2k0a n GLY 0 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k0a n SER 1 N 0.00 -5.97 -2.77 1.61 2.88 -1.26 -2.42 113.62 105.69 2k0a n SER 1 Ca 0.00 -0.05 -0.19 0.00 -1.33 0.00 0.00 58.87 57.30 2k0a n SER 1 Cb 0.00 -4.94 0.00 0.00 -0.75 0.00 0.00 64.21 58.52 2k0a n SER 1 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k0a n SER 2 N -2.07 -4.76 -4.77 -3.46 7.64 -1.25 -4.94 113.62 100.02 2k0a n SER 2 Ca -0.23 -0.08 -0.39 0.00 1.01 0.00 0.00 58.87 59.18 2k0a n SER 2 Cb 0.68 -3.95 -0.05 0.00 -1.01 0.00 0.00 64.21 59.89 2k0a n SER 2 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2k0a s ARG 3 N -5.41 4.49 -0.69 1.43 1.81 -1.02 -4.62 118.95 114.96 2k0a s ARG 3 Ca 0.16 1.62 -0.06 0.00 -1.72 0.00 0.00 55.73 55.72 2k0a s ARG 3 Cb -0.08 -2.93 -0.13 0.00 -0.45 0.00 0.00 34.95 31.36 2k0a s ARG 3 CO 0.19 0.13 2.71 0.72 -0.68 0.00 0.00 175.30 178.38 2k0a n HIS 4 N 0.72 1.02 -2.15 -0.53 8.25 -1.26 -4.02 115.22 117.24 2k0a n HIS 4 Ca 0.01 -1.90 -0.38 0.00 -0.26 0.00 0.00 57.72 55.19 2k0a n HIS 4 Cb 0.47 -1.74 -0.00 0.00 1.12 0.00 0.00 29.99 29.84 2k0a n HIS 4 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2k0a s GLN 5 N 2.18 3.80 -0.78 -0.41 -0.21 -1.26 -4.85 119.66 118.13 2k0a s GLN 5 Ca 0.53 1.94 -0.23 0.00 0.02 0.00 0.00 55.36 57.63 2k0a s GLN 5 Cb 0.19 -2.54 -0.17 0.00 1.00 0.00 0.00 33.01 31.50 2k0a s GLN 5 CO -0.03 -0.56 1.90 0.34 -2.12 0.00 0.00 175.29 174.82 2k0a n PHE 6 N -0.27 1.85 -2.26 0.91 7.35 -1.26 -3.78 117.46 120.00 2k0a n PHE 6 Ca 0.06 -1.61 -0.17 0.00 -0.76 0.00 0.00 57.45 54.98 2k0a n PHE 6 Cb 0.46 -1.80 -0.02 0.00 0.35 0.00 0.00 39.48 38.47 2k0a n PHE 6 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2k0a n ASP 7 N 9.05 -4.82 -2.31 -2.13 8.00 -1.26 -4.83 116.55 118.24 2k0a n ASP 7 Ca 0.48 0.14 -0.25 0.00 0.71 0.00 0.00 54.79 55.88 2k0a n ASP 7 Cb 0.42 -4.10 -0.02 0.00 -0.02 0.00 0.00 41.12 37.40 2k0a n ASP 7 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2k0a n LEU 8 N -2.77 6.56 -0.75 0.64 4.77 -1.25 -3.84 117.00 120.37 2k0a n LEU 8 Ca -0.19 -3.87 0.07 0.00 -0.03 0.00 0.00 56.01 51.99 2k0a n LEU 8 Cb 0.63 -1.16 0.19 0.00 -2.33 0.00 0.00 43.42 40.75 2k0a n LEU 8 CO 0.23 1.57 0.66 -0.38 -1.33 0.00 0.00 177.39 178.14 2k0a n ILE 9 N 0.59 1.43 -3.63 -0.08 -0.00 -1.26 -4.81 119.36 111.60 2k0a n ILE 9 Ca 0.44 -1.28 -0.35 0.00 -0.00 0.00 0.00 62.75 61.56 2k0a n ILE 9 Cb 0.56 0.25 -0.05 0.00 -0.00 0.00 0.00 39.64 40.39 2k0a n ILE 9 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k0a s MET 10 N -1.60 3.71 0.14 0.38 0.23 -1.25 -0.23 119.30 120.68 2k0a s MET 10 Ca 0.30 0.11 -0.32 0.00 -1.03 0.00 0.00 55.69 54.74 2k0a s MET 10 Cb 0.20 -3.02 -0.10 0.00 -1.53 0.00 0.00 34.83 30.38 2k0a s MET 10 CO 0.14 0.58 1.55 0.00 -2.03 0.00 0.00 175.02 175.26 2k0a n LEU 12 N -5.35 -1.49 0.00 0.00 4.77 0.29 -4.84 117.00 110.38 2k0a n LEU 12 Ca -0.02 -0.04 -0.23 0.00 -0.03 0.00 0.00 56.01 55.68 2k0a n LEU 12 Cb 0.33 -2.28 0.16 0.00 -2.33 0.00 0.00 43.42 39.30 2k0a n LEU 12 CO -0.03 -0.01 0.70 0.29 -1.33 0.00 0.00 177.39 177.01 2k0a n LYS 13 N -3.22 -0.99 -1.97 3.23 5.02 -1.26 -4.38 118.16 114.58 2k0a n LYS 13 Ca -0.11 -1.70 -0.43 0.00 -2.02 0.00 0.00 58.31 54.06 2k0a n LYS 13 Cb 0.60 -1.07 -0.03 0.00 -0.02 0.00 0.00 35.03 34.51 2k0a n LYS 13 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2k0a s GLN 14 N -5.31 3.79 0.28 1.97 -0.44 -1.26 -2.76 119.66 115.94 2k0a s GLN 14 Ca 0.61 1.90 -0.29 0.00 -2.50 0.00 0.00 55.36 55.07 2k0a s GLN 14 Cb -0.02 -4.09 -0.09 0.00 -1.64 0.00 0.00 33.01 27.17 2k0a s GLN 14 CO 0.42 -1.31 1.08 -2.14 0.50 0.00 0.00 175.29 173.84 2k0a s PRO 15 N 4.80 4.66 0.00 1.67 0.02 -1.26 -3.67 135.00 141.21 2k0a s PRO 15 Ca 0.78 1.76 0.00 0.00 0.02 0.00 0.00 61.00 63.56 2k0a s PRO 15 Cb -0.29 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.04 2k0a s PRO 15 CO 0.32 0.24 0.00 0.41 -0.33 0.00 0.00 177.00 177.64 2k0a n GLY 16 N 1.21 1.30 0.33 0.52 0.00 0.19 -4.81 105.19 103.92 2k0a n GLY 16 Ca -0.01 -1.58 0.08 0.00 0.00 0.00 0.00 46.02 44.51 2k0a n GLY 16 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k0a n VAL 17 N 0.00 0.00 -1.82 1.61 0.24 -1.26 -4.65 118.33 112.45 2k0a n VAL 17 Ca 0.00 -0.29 -0.42 0.00 -2.04 0.00 0.00 64.34 61.60 2k0a n VAL 17 Cb 0.00 1.17 -0.03 0.00 -1.47 0.00 0.00 33.84 33.51 2k0a n VAL 17 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2k0a s GLN 18 N -2.10 4.16 0.19 7.34 -1.52 -1.26 -4.88 119.66 121.60 2k0a s GLN 18 Ca 0.13 2.50 -0.30 0.00 -1.95 0.00 0.00 55.36 55.74 2k0a s GLN 18 Cb 0.14 -3.11 -0.08 0.00 -0.22 0.00 0.00 33.01 29.74 2k0a s GLN 18 CO 0.48 -0.68 0.97 0.99 -0.25 0.00 0.00 175.29 176.80 2k0a s THR 19 N 1.08 4.15 -0.08 -0.19 2.01 -1.26 -0.31 115.64 121.04 2k0a s THR 19 Ca 0.72 2.00 -0.30 0.00 0.31 0.00 0.00 61.69 64.42 2k0a s THR 19 Cb -0.47 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 67.75 2k0a s THR 19 CO 0.33 0.41 1.08 -0.83 -0.69 0.00 0.00 174.62 174.91 2k0a s GLY 20 N -0.67 2.29 -0.02 4.40 0.00 0.35 -4.68 107.32 108.99 2k0a s GLY 20 Ca 0.44 0.48 -0.03 0.00 0.00 0.00 0.00 44.72 45.61 2k0a s GLY 20 CO 0.32 2.01 0.18 1.08 0.00 0.00 0.00 173.10 176.70 2k0a s LEU 21 N 2.02 4.36 -0.11 0.66 1.43 -1.26 -0.35 118.68 125.43 2k0a s LEU 21 Ca 0.51 0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.97 2k0a s LEU 21 Cb -0.21 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 43.41 2k0a s LEU 21 CO 0.20 0.27 -0.13 -0.76 0.23 0.00 0.00 176.35 176.16 2k0a s LEU 22 N -1.89 2.73 0.69 1.79 1.43 0.30 -0.15 118.68 123.58 2k0a s LEU 22 Ca 0.27 -0.28 -0.12 0.00 -1.03 0.00 0.00 54.13 52.96 2k0a s LEU 22 Cb -0.13 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.51 2k0a s LEU 22 CO 0.18 0.22 1.08 0.00 0.23 0.00 0.00 176.35 178.06 2k0a h GLU 24 N -0.47 0.00 0.00 0.00 5.08 -1.96 0.13 114.58 117.36 2k0a h GLU 24 Ca -0.45 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.84 2k0a h GLU 24 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2k0a h GLU 24 CO 0.55 0.00 -0.32 0.87 -1.00 0.00 0.00 179.01 179.11 2k0a h LYS 25 N 0.00 0.00 -0.03 2.33 1.57 -1.95 -3.15 116.57 115.34 2k0a h LYS 25 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2k0a h LYS 25 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2k0a h LYS 25 CO -0.00 0.32 0.00 0.00 -0.57 0.00 0.00 179.45 179.20 2k0a s ASP 27 N -2.51 6.76 0.00 0.00 2.15 0.05 -2.50 116.67 120.62 2k0a s ASP 27 Ca 0.28 2.39 0.00 0.00 0.43 0.00 0.00 52.55 55.65 2k0a s ASP 27 Cb 0.24 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 2k0a s ASP 27 CO 0.03 -0.71 0.00 0.61 -0.17 0.00 0.00 175.17 174.94 2k0a n GLY 28 N 3.58 3.25 3.73 2.66 0.00 -1.26 -5.03 105.19 112.12 2k0a n GLY 28 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2k0a n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k0a s LYS 29 N -0.56 4.51 -0.09 1.61 1.02 -1.04 -4.54 119.74 120.65 2k0a s LYS 29 Ca 0.00 1.74 -0.30 0.00 0.02 0.00 0.00 55.97 57.44 2k0a s LYS 29 Cb 0.00 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 2k0a s LYS 29 CO 0.00 -0.09 1.45 0.00 -0.92 0.00 0.00 175.35 175.79 2k0a h PRO 31 N 8.69 0.53 -0.13 0.00 0.13 -1.91 0.33 132.00 139.63 2k0a h PRO 31 Ca -0.34 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.70 2k0a h PRO 31 Cb 1.15 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 2k0a h PRO 31 CO 0.95 0.35 -0.14 0.82 -0.23 0.00 0.00 178.00 179.75 2k0a h ILE 32 N 0.54 1.35 0.00 -3.56 1.08 -1.90 -3.39 117.51 111.63 2k0a h ILE 32 Ca 0.22 -1.31 0.00 0.00 -0.39 0.00 0.00 64.86 63.39 2k0a h ILE 32 Cb 0.20 1.91 0.00 0.00 -3.07 0.00 0.00 36.82 35.85 2k0a h ILE 32 CO -0.06 0.38 0.00 0.00 -0.69 0.00 0.00 178.15 177.78 2k0a n ASP 34 N -0.66 -7.69 -3.59 0.00 2.03 0.12 -5.01 116.55 101.75 2k0a n ASP 34 Ca 0.00 0.44 -0.15 0.00 0.52 0.00 0.00 54.79 55.60 2k0a n ASP 34 Cb 0.01 -5.21 -0.07 0.00 -0.72 0.00 0.00 41.12 35.13 2k0a n ASP 34 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2k0a s SER 35 N -2.59 -0.70 -0.28 1.67 0.15 -1.25 -4.88 113.70 105.82 2k0a s SER 35 Ca 0.21 1.13 0.05 0.00 0.70 0.00 0.00 55.95 58.04 2k0a s SER 35 Cb -0.06 1.07 0.53 0.00 -1.71 0.00 0.00 66.02 65.85 2k0a s SER 35 CO 0.73 -0.38 1.60 -1.22 1.20 0.00 0.00 173.24 175.17 2k0a n TYR 36 N 1.96 2.03 -1.61 3.44 4.02 -1.26 -1.47 117.16 124.27 2k0a n TYR 36 Ca -0.16 -1.19 -0.29 0.00 -0.01 0.00 0.00 57.90 56.25 2k0a n TYR 36 Cb 0.56 -0.65 0.12 0.00 -0.02 0.00 0.00 39.34 39.34 2k0a n TYR 36 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2k0a s VAL 37 N -2.38 2.25 0.09 -0.72 0.11 -1.26 -4.91 120.40 113.58 2k0a s VAL 37 Ca 0.41 0.08 -0.36 0.00 -2.93 0.00 0.00 61.98 59.18 2k0a s VAL 37 Cb 0.34 -2.88 -0.16 0.00 -1.53 0.00 0.00 36.38 32.15 2k0a s VAL 37 CO 0.09 -0.11 1.45 0.54 -3.33 0.00 0.00 175.10 173.74 2k0a n ARG 38 N -3.61 1.47 -1.61 1.54 1.74 -1.26 -4.80 116.66 110.14 2k0a n ARG 38 Ca 0.07 0.53 -0.31 0.00 -0.77 0.00 0.00 57.85 57.37 2k0a n ARG 38 Cb 0.59 -2.22 0.05 0.00 -1.02 0.00 0.00 32.46 29.86 2k0a n ARG 38 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2k0a s PRO 39 N 0.86 2.85 0.00 5.56 0.02 -1.26 0.27 135.00 143.30 2k0a s PRO 39 Ca 0.84 1.09 0.00 0.00 0.02 0.00 0.00 61.00 62.94 2k0a s PRO 39 Cb -0.87 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 31.67 2k0a s PRO 39 CO 0.45 -1.18 0.00 1.17 -0.33 0.00 0.00 177.00 177.12 2k0a n LYS 40 N -2.95 0.00 -5.06 5.54 0.00 0.58 -4.43 118.16 111.85 2k0a n LYS 40 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 58.09 2k0a n LYS 40 Cb 0.53 -0.01 -0.17 0.00 0.00 0.00 0.00 35.03 35.38 2k0a n LYS 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2k0a s ARG 41 N -1.98 2.65 0.26 1.64 3.52 -0.84 -4.96 118.95 119.24 2k0a s ARG 41 Ca 0.00 -0.76 -0.30 0.00 -0.13 0.00 0.00 55.73 54.54 2k0a s ARG 41 Cb 0.00 -2.05 -0.10 0.00 -1.56 0.00 0.00 34.95 31.24 2k0a s ARG 41 CO 0.00 0.16 1.34 0.21 -0.81 0.00 0.00 175.30 176.20 2k0a s LYS 42 N 0.37 4.35 0.15 5.12 2.20 -1.26 0.75 119.74 131.43 2k0a s LYS 42 Ca -0.16 2.17 -0.30 0.00 -0.36 0.00 0.00 55.97 57.31 2k0a s LYS 42 Cb -0.17 -3.13 -0.07 0.00 -1.51 0.00 0.00 37.83 32.95 2k0a s LYS 42 CO 0.07 -0.26 1.11 0.08 -0.36 0.00 0.00 175.35 175.99 2k0a s VAL 43 N -0.38 3.93 -0.08 4.02 1.01 -0.26 -4.80 120.40 123.85 2k0a s VAL 43 Ca 0.54 1.60 0.03 0.00 0.00 0.00 0.00 61.98 64.16 2k0a s VAL 43 Cb -0.39 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 31.97 2k0a s VAL 43 CO 0.44 0.25 -0.18 -0.13 0.00 0.00 0.00 175.10 175.48 2k0a s ARG 44 N -0.09 2.35 0.31 2.72 0.52 -1.26 -0.50 118.95 122.99 2k0a s ARG 44 Ca 0.51 -0.64 -0.04 0.00 -0.52 0.00 0.00 55.73 55.03 2k0a s ARG 44 Cb -0.29 -1.84 -0.05 0.00 0.52 0.00 0.00 34.95 33.29 2k0a s ARG 44 CO 0.34 0.11 0.57 0.14 0.02 0.00 0.00 175.30 176.47 2k0a s VAL 45 N 0.49 5.03 0.61 3.52 -7.23 0.58 -4.42 120.40 118.98 2k0a s VAL 45 Ca -0.16 -0.01 -0.18 0.00 -1.81 0.00 0.00 61.98 59.82 2k0a s VAL 45 Cb -0.17 -3.76 -0.02 0.00 0.56 0.00 0.00 36.38 32.99 2k0a s VAL 45 CO 0.06 -0.38 1.18 0.00 -0.31 0.00 0.00 175.10 175.65 2k0a h GLU 47 N 0.65 0.83 -0.63 0.00 4.57 -1.88 -2.31 114.58 115.82 2k0a h GLU 47 Ca -0.49 -0.05 0.07 0.00 -1.18 0.00 0.00 59.36 57.71 2k0a h GLU 47 Cb 1.28 -0.19 -0.06 0.00 -0.16 0.00 0.00 28.75 29.63 2k0a h GLU 47 CO 0.54 0.55 0.32 -0.91 -1.18 0.00 0.00 179.01 178.33 2k0a h ASN 48 N 0.86 0.43 0.52 1.04 4.21 -1.91 -1.36 115.58 119.38 2k0a h ASN 48 Ca 0.53 0.04 -0.04 0.00 1.21 0.00 0.00 56.30 58.05 2k0a h ASN 48 Cb 0.70 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.86 2k0a h ASN 48 CO -0.31 0.27 -0.18 0.00 -1.29 0.00 0.00 177.43 175.93 2k0a h SER 50 N 0.00 0.00 0.49 0.00 0.87 -1.30 -3.30 113.55 110.31 2k0a h SER 50 Ca -0.00 -0.57 -0.01 0.00 -1.23 0.00 0.00 61.79 59.98 2k0a h SER 50 Cb 0.48 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2k0a h SER 50 CO 0.02 1.29 -0.03 2.19 -0.53 0.00 0.00 176.83 179.77 2k0a h PHE 51 N -1.00 0.00 -4.21 2.24 -5.15 -1.34 -3.37 116.94 104.10 2k0a h PHE 51 Ca -0.23 0.00 -0.51 0.00 -0.20 0.00 0.00 57.97 57.03 2k0a h PHE 51 Cb 1.14 0.00 0.10 0.00 0.22 0.00 0.00 35.95 37.40 2k0a h PHE 51 CO 0.12 0.03 0.37 0.20 -2.00 0.00 0.00 178.31 177.03 2k0a s GLY 52 N -4.17 2.10 0.35 6.09 0.00 -0.92 -4.92 107.32 105.85 2k0a s GLY 52 Ca -0.02 0.49 0.11 0.00 0.00 0.00 0.00 44.72 45.30 2k0a s GLY 52 CO 0.51 0.83 1.81 0.07 0.00 0.00 0.00 173.10 176.32 2k0a h LYS 53 N -0.01 0.59 -2.03 2.90 2.10 -1.86 -2.55 116.57 115.72 2k0a h LYS 53 Ca -0.46 -0.04 -0.16 0.00 -2.00 0.00 0.00 60.65 57.99 2k0a h LYS 53 Cb 1.24 -0.13 -0.06 0.00 -0.90 0.00 0.00 32.23 32.38 2k0a h LYS 53 CO 0.54 0.39 -0.32 0.00 -2.00 0.00 0.00 179.45 178.07 2k0a n GLN 54 N -4.65 1.82 0.18 0.07 0.00 -1.26 -4.60 117.38 108.94 2k0a n GLN 54 Ca 0.22 -0.85 -0.14 0.00 0.00 0.00 0.00 57.00 56.23 2k0a n GLN 54 Cb 0.63 -1.86 -0.08 0.00 0.00 0.00 0.00 30.24 28.93 2k0a n GLN 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2k0a h ALA 55 N 2.84 -0.46 -0.56 2.61 0.00 -1.53 -3.30 119.26 118.86 2k0a h ALA 55 Ca 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k0a h ALA 55 Cb 1.41 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2k0a h ALA 55 CO 0.21 -0.62 0.00 1.63 0.00 0.00 0.00 179.25 180.47 2k0a n LYS 56 N -5.17 3.88 -2.73 0.00 4.76 -1.26 -4.73 118.16 112.90 2k0a n LYS 56 Ca -0.10 -2.69 -0.31 0.00 -2.87 0.00 0.00 58.31 52.35 2k0a n LYS 56 Cb 0.27 -1.98 -0.03 0.00 -1.84 0.00 0.00 35.03 31.44 2k0a n LYS 56 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2k0a s ASN 57 N -0.79 6.56 0.25 4.39 0.01 -1.24 -0.10 114.94 124.02 2k0a s ASN 57 Ca 0.47 1.27 -0.31 0.00 -0.71 0.00 0.00 52.86 53.59 2k0a s ASN 57 Cb 0.33 -2.38 -0.14 0.00 0.41 0.00 0.00 41.25 39.47 2k0a s ASN 57 CO 0.19 -0.45 1.29 0.00 -1.51 0.00 0.00 177.10 176.63 2k0a h ILE 59 N 2.76 1.54 -0.02 0.00 3.07 -0.86 0.38 117.51 124.37 2k0a h ILE 59 Ca -0.44 -2.89 -0.03 0.00 1.55 0.00 0.00 64.86 63.05 2k0a h ILE 59 Cb 1.30 2.65 0.00 0.00 -0.27 0.00 0.00 36.82 40.50 2k0a h ILE 59 CO 0.71 0.84 -0.11 0.40 -1.05 0.00 0.00 178.15 178.93 2k0a h ILE 60 N 0.08 1.49 -0.42 0.16 2.04 -1.80 -1.83 117.51 117.23 2k0a h ILE 60 Ca -0.06 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.19 2k0a h ILE 60 Cb 1.66 2.50 0.00 0.00 -0.74 0.00 0.00 36.82 40.24 2k0a h ILE 60 CO 0.15 0.44 0.00 0.00 0.00 0.00 0.00 178.15 178.73 2k0a n ASN 62 N 0.61 0.00 -0.09 0.00 6.94 0.12 -4.31 115.26 118.53 2k0a n ASN 62 Ca 0.16 0.00 -0.23 0.00 -0.02 0.00 0.00 54.58 54.49 2k0a n ASN 62 Cb 0.56 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.87 2k0a n ASN 62 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k0a n LEU 63 N 0.00 2.17 -4.75 -4.53 -0.00 -1.26 -4.40 117.00 104.23 2k0a n LEU 63 Ca 0.00 0.30 -0.41 0.00 -0.00 0.00 0.00 56.01 55.90 2k0a n LEU 63 Cb 0.00 -0.97 -0.03 0.00 -0.00 0.00 0.00 43.42 42.43 2k0a n LEU 63 CO 0.00 0.54 1.02 0.20 -0.00 0.00 0.00 177.39 179.15 2k0a s ASN 64 N -7.01 6.80 0.29 1.45 0.02 -1.26 -4.71 114.94 110.51 2k0a s ASN 64 Ca -0.30 2.54 -0.30 0.00 -1.02 0.00 0.00 52.86 53.78 2k0a s ASN 64 Cb 0.08 -2.62 -0.12 0.00 0.02 0.00 0.00 41.25 38.62 2k0a s ASN 64 CO 0.61 -0.58 1.59 0.55 0.02 0.00 0.00 177.10 179.29 2k0a n VAL 65 N 2.22 0.99 -3.15 1.60 3.14 -1.26 0.11 118.33 121.99 2k0a n VAL 65 Ca 0.05 -0.25 -0.36 0.00 -2.96 0.00 0.00 64.34 60.83 2k0a n VAL 65 Cb 0.42 -1.94 -0.06 0.00 -1.06 0.00 0.00 33.84 31.19 2k0a n VAL 65 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2k0a s GLY 66 N 0.51 2.58 -0.01 7.55 0.00 0.86 -4.08 107.32 114.72 2k0a s GLY 66 Ca 0.64 0.11 -0.00 0.00 0.00 0.00 0.00 44.72 45.47 2k0a s GLY 66 CO 0.48 0.45 -0.01 3.33 0.00 0.00 0.00 173.10 177.35 2k0a n VAL 67 N 0.72 0.07 -4.83 1.40 0.24 0.83 -4.78 118.33 111.99 2k0a n VAL 67 Ca -0.03 -0.03 -0.33 0.00 -2.04 0.00 0.00 64.34 61.92 2k0a n VAL 67 Cb 0.51 -0.80 -0.13 0.00 -1.47 0.00 0.00 33.84 31.96 2k0a n VAL 67 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2k0a s ASN 68 N -4.38 4.15 0.32 -1.34 0.01 -0.69 -4.87 114.94 108.14 2k0a s ASN 68 Ca -0.02 -0.17 -0.29 0.00 -0.71 0.00 0.00 52.86 51.67 2k0a s ASN 68 Cb 0.01 -0.97 -0.10 0.00 0.41 0.00 0.00 41.25 40.59 2k0a s ASN 68 CO 0.03 0.34 1.41 -1.81 -1.51 0.00 0.00 177.10 175.56 2k0a s ASP 69 N -0.66 6.60 0.44 -1.22 1.01 -1.26 0.11 116.67 121.69 2k0a s ASP 69 Ca 0.10 2.79 -0.14 0.00 0.71 0.00 0.00 52.55 56.01 2k0a s ASP 69 Cb -0.11 -2.65 -0.07 0.00 1.01 0.00 0.00 42.92 41.10 2k0a s ASP 69 CO 0.01 -0.70 0.86 0.00 0.21 0.00 0.00 175.17 175.56 2k0a s ALA 70 N -0.71 3.22 -0.03 5.23 0.00 0.53 -4.79 121.76 125.20 2k0a s ALA 70 Ca 0.54 0.00 0.02 0.00 0.00 0.00 0.00 51.96 52.53 2k0a s ALA 70 Cb -0.43 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2k0a s ALA 70 CO 0.52 -0.07 -0.09 -0.06 0.00 0.00 0.00 175.76 176.06 2k0a s PHE 71 N -2.43 1.01 0.07 0.00 0.40 -1.26 -1.10 117.98 114.67 2k0a s PHE 71 Ca 0.55 -0.27 -0.31 0.00 -0.60 0.00 0.00 56.93 56.31 2k0a s PHE 71 Cb -0.10 -0.73 -0.07 0.00 0.51 0.00 0.00 43.02 42.63 2k0a s PHE 71 CO 0.29 -0.12 1.45 0.71 0.70 0.00 0.00 175.22 178.25 2k0a s TYR 72 N 0.25 2.97 0.68 0.36 2.02 0.23 -4.58 117.35 119.28 2k0a s TYR 72 Ca -0.04 0.79 -0.13 0.00 -0.37 0.00 0.00 57.07 57.31 2k0a s TYR 72 Cb -0.09 -3.74 0.01 0.00 -0.40 0.00 0.00 41.96 37.74 2k0a s TYR 72 CO 0.01 -2.71 1.09 0.00 -1.57 0.00 0.00 175.55 172.37 2k0a h TRP 74 N -0.29 -1.81 -0.55 0.00 -0.00 -0.39 -1.59 115.95 111.32 2k0a h TRP 74 Ca -0.46 0.12 -0.01 0.00 -0.00 0.00 0.00 58.89 58.54 2k0a h TRP 74 Cb 1.24 0.90 -0.03 0.00 -0.00 0.00 0.00 29.16 31.27 2k0a h TRP 74 CO 0.57 -0.38 0.29 1.05 -0.00 0.00 0.00 178.44 179.97 2k0a h GLU 75 N -0.08 0.75 -0.49 2.65 4.11 -1.92 0.39 114.58 119.99 2k0a h GLU 75 Ca 0.14 -0.08 -0.04 0.00 0.07 0.00 0.00 59.36 59.46 2k0a h GLU 75 Cb 0.44 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2k0a h GLU 75 CO -0.85 0.56 0.16 0.00 0.07 0.00 0.00 179.01 178.95 2k0a h ARG 78 N 0.56 0.10 -0.26 0.00 1.12 -0.20 -2.54 114.38 113.15 2k0a h ARG 78 Ca 0.02 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2k0a h ARG 78 Cb 1.09 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 31.02 2k0a h ARG 78 CO 0.11 0.18 0.16 -0.07 -3.11 0.00 0.00 179.97 177.25 2k0a h LEU 79 N -0.01 0.30 -1.39 3.80 3.38 0.01 -3.47 115.31 117.94 2k0a h LEU 79 Ca 0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k0a h LEU 79 Cb 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2k0a h LEU 79 CO -0.00 0.23 -0.00 0.61 0.09 0.00 0.00 178.44 179.36 2k0a n GLY 80 N -1.47 0.75 0.10 0.83 0.00 0.07 -4.98 105.19 100.48 2k0a n GLY 80 Ca 0.01 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 2k0a n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k0a n LYS 81 N -0.72 0.67 0.16 1.61 5.02 -0.44 -4.19 118.16 120.28 2k0a n LYS 81 Ca -0.00 0.14 0.02 0.00 -2.02 0.00 0.00 58.31 56.46 2k0a n LYS 81 Cb 0.50 -1.65 0.38 0.00 -0.02 0.00 0.00 35.03 34.24 2k0a n LYS 81 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2k0a h ASP 82 N 0.00 0.10 0.42 4.39 2.03 -1.91 -2.80 116.42 118.65 2k0a h ASP 82 Ca -0.43 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 2k0a h ASP 82 Cb 2.12 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 40.59 2k0a h ASP 82 CO 0.05 0.37 0.00 0.07 -1.03 0.00 0.00 179.24 178.70 2k0a h LYS 83 N 0.09 0.00 -0.53 4.15 5.09 -1.90 -2.82 116.57 120.66 2k0a h LYS 83 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 60.70 2k0a h LYS 83 Cb 0.53 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.83 2k0a h LYS 83 CO 0.04 0.00 0.13 0.22 -2.09 0.00 0.00 179.45 177.74 2k0a h ASP 84 N 0.00 0.81 0.00 7.07 3.58 -1.73 -3.49 116.42 122.66 2k0a h ASP 84 Ca 0.00 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.22 2k0a h ASP 84 Cb 0.21 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2k0a h ASP 84 CO 0.00 0.83 0.00 0.61 -2.88 0.00 0.00 179.24 177.80 2k0a n GLY 85 N -0.61 0.21 3.62 -0.78 0.00 -1.06 -4.60 105.19 101.97 2k0a n GLY 85 Ca 0.02 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 2k0a n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k0a n PRO 87 N 8.35 1.82 -3.63 0.00 -0.04 -1.26 0.11 135.00 140.34 2k0a n PRO 87 Ca 0.26 -1.36 -0.36 0.00 -0.04 0.00 0.00 63.50 62.00 2k0a n PRO 87 Cb 0.44 -1.68 -0.08 0.00 -0.04 0.00 0.00 33.50 32.13 2k0a n PRO 87 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2k0a s ARG 88 N -1.01 4.16 -0.30 0.54 0.52 -1.26 -4.48 118.95 117.12 2k0a s ARG 88 Ca 0.37 -0.13 -0.29 0.00 -0.52 0.00 0.00 55.73 55.16 2k0a s ARG 88 Cb 0.24 -3.47 -0.00 0.00 0.52 0.00 0.00 34.95 32.23 2k0a s ARG 88 CO -0.06 0.17 1.40 0.42 0.02 0.00 0.00 175.30 177.25 2k0a s ILE 89 N 0.71 4.00 0.00 1.52 -1.09 -0.69 0.66 121.20 126.31 2k0a s ILE 89 Ca 0.11 1.11 0.00 0.00 -2.23 0.00 0.00 60.65 59.64 2k0a s ILE 89 Cb -0.13 -4.05 0.00 0.00 -1.58 0.00 0.00 42.46 36.70 2k0a s ILE 89 CO 0.02 -0.47 0.00 0.00 -1.23 0.00 0.00 174.94 173.26 2k0a n LEU 90 N 8.01 0.00 0.00 2.97 -0.00 0.68 -4.63 117.00 124.03 2k0a n LEU 90 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.17 2k0a n LEU 90 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 2k0a n LEU 90 CO 0.64 0.22 0.00 0.59 -0.00 0.00 0.00 177.39 178.84 2k0a n ASN 91 N 0.00 0.00 -3.59 1.45 3.02 0.28 -4.45 115.26 111.98 2k0a n ASN 91 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2k0a n ASN 91 Cb 0.23 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.34 2k0a n ASN 91 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2k0a s LEU 92 N 0.00 -0.38 0.00 3.41 2.96 -1.24 -4.59 118.68 118.83 2k0a s LEU 92 Ca 0.00 0.59 0.00 0.00 -0.22 0.00 0.00 54.13 54.50 2k0a s LEU 92 Cb 0.00 1.53 0.00 0.00 0.50 0.00 0.00 46.19 48.22 2k0a s LEU 92 CO 0.00 -0.09 0.00 0.61 -1.32 0.00 0.00 176.35 175.55 2k0a n GLY 93 N 3.76 -1.07 3.64 7.98 0.00 -1.26 -3.07 105.19 115.16 2k0a n GLY 93 Ca -0.16 0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2k0a n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k0a s SER 94 N -4.00 6.39 0.00 1.61 0.01 -1.26 -3.95 113.70 112.51 2k0a s SER 94 Ca 0.00 1.79 0.00 0.00 1.31 0.00 0.00 55.95 59.05 2k0a s SER 94 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2k0a s SER 94 CO 0.00 -1.22 0.00 -3.20 0.41 0.00 0.00 173.24 169.23 2k0a n ASN 95 N 8.32 0.00 -3.89 2.44 2.85 -1.26 -5.09 115.26 118.63 2k0a n ASN 95 Ca 0.19 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.55 2k0a n ASN 95 Cb 0.45 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.35 2k0a n ASN 95 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k0a s ARG 96 N 0.00 0.29 0.00 1.20 1.04 -1.25 -4.98 118.95 115.25 2k0a s ARG 96 Ca 0.00 -0.25 0.00 0.00 -1.04 0.00 0.00 55.73 54.44 2k0a s ARG 96 Cb 0.00 0.12 0.00 0.00 -2.04 0.00 0.00 34.95 33.03 2k0a s ARG 96 CO 0.00 -0.06 0.00 1.28 -0.04 0.00 0.00 175.30 176.48 2k0a n LEU 97 N 2.11 0.00 -3.29 -1.89 4.77 -1.26 -4.88 117.00 112.55 2k0a n LEU 97 Ca -0.19 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.61 2k0a n LEU 97 Cb 0.57 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.74 2k0a n LEU 97 CO 0.22 0.00 0.14 -0.67 -1.33 0.00 0.00 177.39 175.74 2k0a n ASP 98 N 0.00 -3.20 0.00 -1.43 2.03 -1.26 -4.97 116.55 107.72 2k0a n ASP 98 Ca 0.00 -0.56 0.00 0.00 0.52 0.00 0.00 54.79 54.75 2k0a n ASP 98 Cb 0.00 -4.78 0.00 0.00 -0.72 0.00 0.00 41.12 35.62 2k0a n ASP 98 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2k0a n ARG 99 N -4.14 0.00 -3.34 -0.67 1.74 -1.26 -4.95 116.66 104.04 2k0a n ARG 99 Ca -0.19 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.65 2k0a n ARG 99 Cb 0.63 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.10 2k0a n ARG 99 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2k0a n HIS 100 N 0.00 -2.13 0.00 -1.55 -0.00 -1.26 -1.94 115.22 108.34 2k0a n HIS 100 Ca 0.00 0.65 0.00 0.00 0.46 0.00 0.00 57.72 58.83 2k0a n HIS 100 Cb 0.00 -4.12 0.00 0.00 -0.12 0.00 0.00 29.99 25.75 2k0a n HIS 100 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2k0a n PHE 101 N -4.48 0.00 -1.67 1.57 7.35 -1.26 -4.94 117.46 114.03 2k0a n PHE 101 Ca -0.04 0.00 -0.45 0.00 -0.76 0.00 0.00 57.45 56.19 2k0a n PHE 101 Cb 0.58 -0.03 -0.03 0.00 0.35 0.00 0.00 39.48 40.34 2k0a n PHE 101 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2k0a n GLU 102 N -0.23 2.04 0.00 -4.13 2.13 -0.82 -2.93 120.64 116.70 2k0a n GLU 102 Ca 0.00 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.55 2k0a n GLU 102 Cb 0.00 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.28 2k0a n GLU 102 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2k0a n LYS 103 N 2.54 0.00 0.00 5.31 4.76 -1.26 -4.45 118.16 125.05 2k0a n LYS 103 Ca 0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 2k0a n LYS 103 Cb 0.30 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.49 2k0a n LYS 103 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k0a n LYS 104 N 0.00 1.73 -3.89 1.97 5.02 -1.15 -5.13 118.16 116.70 2k0a n LYS 104 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 2k0a n LYS 104 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.03 2k0a n LYS 104 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2k0a s LYS 105 N 0.00 1.32 -0.11 1.97 0.00 -1.24 -5.00 119.74 116.67 2k0a s LYS 105 Ca 0.00 -0.86 -0.05 0.00 0.00 0.00 0.00 55.97 55.06 2k0a s LYS 105 Cb 0.00 0.37 0.05 0.00 0.00 0.00 0.00 37.83 38.25 2k0a s LYS 105 CO 0.00 -0.62 0.26 0.21 0.00 0.00 0.00 175.35 175.20 2k0a s LYS 106 N -2.12 0.20 0.00 1.78 2.20 -1.26 -4.84 119.74 115.71 2k0a s LYS 106 Ca 0.22 0.60 0.19 0.00 -0.36 0.00 0.00 55.97 56.62 2k0a s LYS 106 Cb -0.03 -0.09 1.12 0.00 -1.51 0.00 0.00 37.83 37.32 2k0a s LYS 106 CO 0.05 -0.19 1.51 0.28 -0.36 0.00 0.00 175.35 176.65