#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 1.66 3.57 -0.02 0.00 -1.26 -5.11 105.19 104.03 2k0a n GLY 0 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2k0a n GLY 0 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k0a s SER 1 N -2.00 -0.74 -0.06 1.61 0.01 -1.26 -5.16 113.70 106.10 2k0a s SER 1 Ca 0.00 1.36 -0.01 0.00 1.31 0.00 0.00 55.95 58.60 2k0a s SER 1 Cb 0.00 1.33 0.03 0.00 0.21 0.00 0.00 66.02 67.59 2k0a s SER 1 CO 0.00 -0.23 0.01 -0.44 0.41 0.00 0.00 173.24 172.98 2k0a s SER 2 N 0.71 1.42 -0.02 2.44 0.01 -1.26 -4.96 113.70 112.05 2k0a s SER 2 Ca -0.03 -0.06 0.16 0.00 1.31 0.00 0.00 55.95 57.33 2k0a s SER 2 Cb -0.05 -0.39 -0.24 0.00 0.21 0.00 0.00 66.02 65.55 2k0a s SER 2 CO -0.05 -0.19 0.43 0.54 0.41 0.00 0.00 173.24 174.38 2k0a n ARG 3 N 5.03 0.78 0.00 12.44 1.74 -1.26 -5.02 116.66 130.37 2k0a n ARG 3 Ca -0.09 -0.12 0.00 0.00 -0.77 0.00 0.00 57.85 56.87 2k0a n ARG 3 Cb 0.50 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 2k0a n ARG 3 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2k0a n HIS 4 N -1.91 0.00 -2.65 -1.55 -0.00 -1.26 -5.09 115.22 102.76 2k0a n HIS 4 Ca -0.02 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.73 2k0a n HIS 4 Cb 0.38 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.23 2k0a n HIS 4 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 2k0a s GLN 5 N 4.71 4.04 -0.07 1.57 0.74 -1.26 -4.88 119.66 124.51 2k0a s GLN 5 Ca 0.00 1.02 0.01 0.00 0.05 0.00 0.00 55.36 56.43 2k0a s GLN 5 Cb 0.00 -3.75 0.11 0.00 1.10 0.00 0.00 33.01 30.47 2k0a s GLN 5 CO 0.00 -0.93 1.11 0.34 -0.55 0.00 0.00 175.29 175.26 2k0a n PHE 6 N 6.92 0.47 -4.15 1.67 7.35 -1.26 -4.85 117.46 123.61 2k0a n PHE 6 Ca 0.12 -0.66 -0.34 0.00 -0.76 0.00 0.00 57.45 55.80 2k0a n PHE 6 Cb 0.47 -0.34 -0.05 0.00 0.35 0.00 0.00 39.48 39.91 2k0a n PHE 6 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 2k0a n ASP 7 N 0.23 -0.78 -0.23 -2.13 5.68 -1.26 -4.83 116.55 113.23 2k0a n ASP 7 Ca 0.09 -1.20 -0.08 0.00 -0.50 0.00 0.00 54.79 53.10 2k0a n ASP 7 Cb 0.66 -1.48 0.03 0.00 -1.14 0.00 0.00 41.12 39.20 2k0a n ASP 7 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2k0a h LEU 8 N -1.85 0.92 -2.41 -2.12 -0.00 -1.95 -3.43 115.31 104.47 2k0a h LEU 8 Ca -0.63 -0.21 -0.04 0.00 -0.00 0.00 0.00 57.88 57.00 2k0a h LEU 8 Cb 1.31 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 41.73 2k0a h LEU 8 CO 0.60 0.88 -0.45 -0.38 -0.00 0.00 0.00 178.44 179.09 2k0a n ILE 9 N -4.37-10.30 -3.04 1.22 -0.00 -1.26 -1.58 119.36 100.03 2k0a n ILE 9 Ca 0.04 0.58 -0.36 0.00 -0.00 0.00 0.00 62.75 63.01 2k0a n ILE 9 Cb 0.21 -6.90 -0.06 0.00 -0.00 0.00 0.00 39.64 32.89 2k0a n ILE 9 CO 0.00 0.00 0.00 -0.04 -0.00 0.00 0.00 176.55 176.51 2k0a s MET 10 N -2.73 4.27 0.15 0.38 1.00 -1.26 -1.77 119.30 119.33 2k0a s MET 10 Ca 0.20 0.93 -0.24 0.00 0.00 0.00 0.00 55.69 56.58 2k0a s MET 10 Cb -0.05 -2.76 0.02 0.00 0.00 0.00 0.00 34.83 32.04 2k0a s MET 10 CO 0.78 0.31 1.61 0.00 0.00 0.00 0.00 175.02 177.72 2k0a n LEU 12 N -5.40 -1.93 0.00 0.00 4.77 0.16 -4.84 117.00 109.75 2k0a n LEU 12 Ca -0.01 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 2k0a n LEU 12 Cb 0.32 -2.20 0.00 0.00 -2.33 0.00 0.00 43.42 39.20 2k0a n LEU 12 CO 0.13 0.34 0.00 0.29 -1.33 0.00 0.00 177.39 176.82 2k0a n LYS 13 N -4.46 1.79 -2.74 3.23 5.02 -1.26 -4.36 118.16 115.37 2k0a n LYS 13 Ca 0.04 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.90 2k0a n LYS 13 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.49 2k0a n LYS 13 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2k0a s GLN 14 N 0.00 3.67 0.18 1.97 -1.52 -1.26 -3.06 119.66 119.64 2k0a s GLN 14 Ca 0.00 0.40 -0.29 0.00 -1.95 0.00 0.00 55.36 53.52 2k0a s GLN 14 Cb 0.00 -3.89 -0.08 0.00 -0.22 0.00 0.00 33.01 28.82 2k0a s GLN 14 CO 0.00 -1.20 0.91 -1.25 -0.25 0.00 0.00 175.29 173.49 2k0a s PRO 15 N 3.91 4.75 0.00 2.91 0.04 -1.26 -4.43 135.00 140.91 2k0a s PRO 15 Ca 0.41 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2k0a s PRO 15 Cb -0.10 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.14 2k0a s PRO 15 CO 0.26 0.44 0.00 0.41 0.04 0.00 0.00 177.00 178.15 2k0a n GLY 16 N 1.75 1.54 0.08 0.56 0.00 -0.96 -4.88 105.19 103.28 2k0a n GLY 16 Ca -0.02 -1.53 0.12 0.00 0.00 0.00 0.00 46.02 44.59 2k0a n GLY 16 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2k0a h VAL 17 N 0.00 0.00 -2.72 1.61 3.04 -1.98 -3.43 116.25 112.77 2k0a h VAL 17 Ca 0.00 -0.69 -0.56 0.00 -1.01 0.00 0.00 66.70 64.44 2k0a h VAL 17 Cb 0.00 1.22 0.07 0.00 -2.01 0.00 0.00 31.29 30.57 2k0a h VAL 17 CO 0.00 0.00 0.79 0.00 -1.01 0.00 0.00 177.57 177.35 2k0a n GLN 18 N -2.33 2.35 -4.16 4.17 1.13 -1.26 -4.87 117.38 112.41 2k0a n GLN 18 Ca 0.02 0.84 -0.34 0.00 -1.94 0.00 0.00 57.00 55.57 2k0a n GLN 18 Cb 0.48 -2.59 -0.12 0.00 0.11 0.00 0.00 30.24 28.13 2k0a n GLN 18 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2k0a s THR 19 N 0.39 4.12 -0.25 5.09 2.01 -1.26 -0.03 115.64 125.71 2k0a s THR 19 Ca 0.71 -0.27 -0.29 0.00 0.31 0.00 0.00 61.69 62.15 2k0a s THR 19 Cb -0.60 -2.85 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 2k0a s THR 19 CO 0.44 0.45 1.52 -0.83 -0.69 0.00 0.00 174.62 175.50 2k0a s GLY 20 N 0.68 1.26 0.37 4.40 0.00 -1.23 -4.78 107.32 108.03 2k0a s GLY 20 Ca 0.00 0.33 -0.10 0.00 0.00 0.00 0.00 44.72 44.95 2k0a s GLY 20 CO 0.02 2.87 0.73 1.08 0.00 0.00 0.00 173.10 177.81 2k0a s LEU 21 N 4.99 3.90 -0.13 0.66 1.43 -1.26 -1.38 118.68 126.89 2k0a s LEU 21 Ca 0.67 1.09 -0.00 0.00 -1.03 0.00 0.00 54.13 54.85 2k0a s LEU 21 Cb -0.22 -3.95 -0.02 0.00 0.03 0.00 0.00 46.19 42.04 2k0a s LEU 21 CO 0.27 -0.34 -0.12 -0.76 0.23 0.00 0.00 176.35 175.63 2k0a s LEU 22 N -3.67 2.75 0.63 1.79 1.43 0.27 -0.30 118.68 121.58 2k0a s LEU 22 Ca 0.50 -0.31 -0.14 0.00 -1.03 0.00 0.00 54.13 53.16 2k0a s LEU 22 Cb -0.10 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 2k0a s LEU 22 CO 0.29 0.17 1.05 0.00 0.23 0.00 0.00 176.35 178.09 2k0a h GLU 24 N -0.02 0.00 0.00 0.00 5.08 -1.96 1.00 114.58 118.67 2k0a h GLU 24 Ca -0.45 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.80 2k0a h GLU 24 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2k0a h GLU 24 CO 0.58 0.00 -0.50 0.87 -1.00 0.00 0.00 179.01 178.96 2k0a h LYS 25 N 0.00 0.00 -0.32 2.33 1.57 -1.94 -2.87 116.57 115.35 2k0a h LYS 25 Ca 0.20 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.79 2k0a h LYS 25 Cb 0.90 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.08 2k0a h LYS 25 CO -0.00 0.50 -0.29 0.00 -0.57 0.00 0.00 179.45 179.08 2k0a s ASP 27 N -2.90 7.13 -0.78 0.00 2.15 -0.12 -3.58 116.67 118.57 2k0a s ASP 27 Ca 0.44 2.14 -0.01 0.00 0.43 0.00 0.00 52.55 55.56 2k0a s ASP 27 Cb 0.40 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.42 2k0a s ASP 27 CO -0.02 -0.36 0.12 0.61 -0.17 0.00 0.00 175.17 175.35 2k0a n GLY 28 N 2.43 0.04 3.15 2.66 0.00 -1.26 -5.03 105.19 107.18 2k0a n GLY 28 Ca 0.05 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 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 -4.74 3.03 -0.04 1.61 1.02 -1.23 -4.20 119.74 115.19 2k0a s LYS 29 Ca 0.06 -0.83 -0.30 0.00 0.02 0.00 0.00 55.97 54.93 2k0a s LYS 29 Cb -0.03 -2.54 -0.07 0.00 -0.52 0.00 0.00 37.83 34.67 2k0a s LYS 29 CO 0.08 -0.13 1.86 0.00 -0.92 0.00 0.00 175.35 176.23 2k0a h PRO 31 N 10.66 0.85 -0.26 0.00 0.11 -1.91 0.50 132.00 141.95 2k0a h PRO 31 Ca -0.44 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2k0a h PRO 31 Cb 1.21 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2k0a h PRO 31 CO 0.95 0.56 0.08 0.82 -0.21 0.00 0.00 178.00 180.20 2k0a h ILE 32 N 0.87 1.20 0.00 4.15 1.08 -1.89 -3.37 117.51 119.55 2k0a h ILE 32 Ca 0.35 -0.64 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 2k0a h ILE 32 Cb 0.24 1.12 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 2k0a h ILE 32 CO -0.12 0.21 0.00 0.00 -0.69 0.00 0.00 178.15 177.55 2k0a n ASP 34 N -0.69 -7.65 -3.73 0.00 2.03 0.18 -4.83 116.55 101.87 2k0a n ASP 34 Ca 0.00 0.31 -0.13 0.00 0.52 0.00 0.00 54.79 55.49 2k0a n ASP 34 Cb 0.01 -5.18 -0.09 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 -2.68 -0.38 -0.27 1.67 0.15 -1.24 -4.63 113.70 106.31 2k0a s SER 35 Ca 0.15 0.62 0.08 0.00 0.70 0.00 0.00 55.95 57.51 2k0a s SER 35 Cb -0.04 0.68 0.63 0.00 -1.71 0.00 0.00 66.02 65.58 2k0a s SER 35 CO 0.73 -0.25 1.63 -1.22 1.20 0.00 0.00 173.24 175.32 2k0a n TYR 36 N 2.32 2.06 -1.65 3.44 4.02 -1.26 -1.15 117.16 124.95 2k0a n TYR 36 Ca -0.16 -1.00 -0.31 0.00 -0.01 0.00 0.00 57.90 56.42 2k0a n TYR 36 Cb 0.57 -0.60 0.05 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 -2.57 3.82 -0.29 -0.72 0.11 -1.26 -4.91 120.40 114.57 2k0a s VAL 37 Ca 0.46 0.59 -0.41 0.00 -2.93 0.00 0.00 61.98 59.69 2k0a s VAL 37 Cb 0.37 -3.40 -0.16 0.00 -1.53 0.00 0.00 36.38 31.65 2k0a s VAL 37 CO 0.12 -0.77 1.73 -1.14 -3.33 0.00 0.00 175.10 171.70 2k0a n ARG 38 N -3.14 1.05 -2.13 1.54 3.00 -1.26 -4.74 116.66 110.98 2k0a n ARG 38 Ca 0.07 0.38 -0.29 0.00 -0.00 0.00 0.00 57.85 58.01 2k0a n ARG 38 Cb 0.55 -2.05 0.01 0.00 0.00 0.00 0.00 32.46 30.97 2k0a n ARG 38 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2k0a s PRO 39 N 3.46 3.41 0.19 -0.14 0.04 -1.26 -0.17 135.00 140.53 2k0a s PRO 39 Ca 0.99 0.49 0.00 0.00 0.04 0.00 0.00 61.00 62.51 2k0a s PRO 39 Cb -1.11 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 31.26 2k0a s PRO 39 CO 0.67 -0.55 0.00 1.63 0.04 0.00 0.00 177.00 178.79 2k0a n LYS 40 N -2.64 0.00 -5.02 4.56 4.76 0.45 -4.67 118.16 115.60 2k0a n LYS 40 Ca 0.05 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.16 2k0a n LYS 40 Cb 0.55 -0.24 -0.15 0.00 -1.84 0.00 0.00 35.03 33.35 2k0a n LYS 40 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2k0a s ARG 41 N -2.00 2.63 0.26 1.97 0.52 -1.17 -4.94 118.95 116.23 2k0a s ARG 41 Ca 0.00 -0.78 -0.30 0.00 -0.52 0.00 0.00 55.73 54.14 2k0a s ARG 41 Cb 0.00 -2.32 -0.10 0.00 0.52 0.00 0.00 34.95 33.05 2k0a s ARG 41 CO 0.00 0.48 1.33 0.21 0.02 0.00 0.00 175.30 177.34 2k0a s LYS 42 N -0.37 4.36 0.47 3.54 2.20 -1.26 0.46 119.74 129.13 2k0a s LYS 42 Ca 0.03 2.17 -0.19 0.00 -0.36 0.00 0.00 55.97 57.62 2k0a s LYS 42 Cb -0.12 -3.13 -0.10 0.00 -1.51 0.00 0.00 37.83 32.97 2k0a s LYS 42 CO 0.02 -0.25 0.97 0.14 -0.36 0.00 0.00 175.35 175.86 2k0a s VAL 43 N -0.41 4.45 -0.10 4.02 -7.23 0.32 -4.80 120.40 116.65 2k0a s VAL 43 Ca 0.54 1.37 0.02 0.00 -1.81 0.00 0.00 61.98 62.11 2k0a s VAL 43 Cb -0.39 -3.65 0.01 0.00 0.56 0.00 0.00 36.38 32.91 2k0a s VAL 43 CO 0.45 -0.48 -0.17 -0.13 -0.31 0.00 0.00 175.10 174.46 2k0a s ARG 44 N -3.56 2.35 0.26 4.82 0.52 -1.26 -3.48 118.95 118.60 2k0a s ARG 44 Ca 0.61 -0.62 -0.05 0.00 -0.52 0.00 0.00 55.73 55.14 2k0a s ARG 44 Cb -0.09 -1.91 -0.05 0.00 0.52 0.00 0.00 34.95 33.41 2k0a s ARG 44 CO 0.21 0.02 0.53 0.54 0.02 0.00 0.00 175.30 176.62 2k0a s VAL 45 N 0.74 5.03 0.47 3.52 0.11 0.96 -4.23 120.40 127.01 2k0a s VAL 45 Ca -0.11 0.09 -0.22 0.00 -2.93 0.00 0.00 61.98 58.82 2k0a s VAL 45 Cb -0.16 -3.71 -0.08 0.00 -1.53 0.00 0.00 36.38 30.91 2k0a s VAL 45 CO 0.02 -0.25 1.09 0.00 -3.33 0.00 0.00 175.10 172.63 2k0a h GLU 47 N 1.80 0.00 0.00 0.00 4.81 -1.93 0.13 114.58 119.39 2k0a h GLU 47 Ca -0.49 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.71 2k0a h GLU 47 Cb 1.23 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 2k0a h GLU 47 CO 0.60 0.00 -0.13 -0.91 -0.73 0.00 0.00 179.01 177.84 2k0a h ASN 48 N 0.00 0.00 -0.90 1.04 2.35 -1.91 0.27 115.58 116.43 2k0a h ASN 48 Ca 0.12 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.36 2k0a h ASN 48 Cb 0.58 0.00 -0.28 0.00 0.05 0.00 0.00 38.32 38.67 2k0a h ASN 48 CO -0.00 0.13 0.55 0.00 -1.65 0.00 0.00 177.43 176.46 2k0a n SER 50 N -1.07 -0.36 0.00 0.00 3.41 -0.95 -4.82 113.62 109.83 2k0a n SER 50 Ca 0.56 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 2k0a n SER 50 Cb 1.29 0.77 0.00 0.00 -0.26 0.00 0.00 64.21 66.01 2k0a n SER 50 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2k0a n PHE 51 N -2.56 0.00 -2.12 7.33 3.72 0.91 -2.76 117.46 121.98 2k0a n PHE 51 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 2k0a n PHE 51 Cb 0.00 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 2k0a n PHE 51 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k0a n GLY 52 N 0.00 2.91 5.19 1.37 0.00 -1.26 -4.74 105.19 108.65 2k0a n GLY 52 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2k0a n GLY 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k0a n LYS 53 N 7.56 0.00 -1.01 1.61 5.02 -1.26 -1.44 118.16 128.66 2k0a n LYS 53 Ca 0.49 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.75 2k0a n LYS 53 Cb 0.43 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.40 2k0a n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k0a n GLN 54 N 0.00 0.00 -2.14 1.97 0.00 -1.26 -4.27 117.38 111.68 2k0a n GLN 54 Ca 0.00 -1.05 -0.04 0.00 0.00 0.00 0.00 57.00 55.90 2k0a n GLN 54 Cb 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 30.24 30.53 2k0a n GLN 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2k0a n ALA 55 N 0.10 -0.70 -4.39 2.61 0.00 -0.52 -1.34 120.51 116.26 2k0a n ALA 55 Ca -0.17 0.05 -0.36 0.00 0.00 0.00 0.00 53.44 52.96 2k0a n ALA 55 Cb 0.76 -0.80 -0.08 0.00 0.00 0.00 0.00 19.45 19.32 2k0a n ALA 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2k0a n LYS 56 N -2.28 -1.15 -4.00 0.00 4.01 -1.26 -4.93 118.16 108.55 2k0a n LYS 56 Ca -0.05 0.15 -0.13 0.00 -0.51 0.00 0.00 58.31 57.77 2k0a n LYS 56 Cb 0.44 -4.26 -0.14 0.00 -0.51 0.00 0.00 35.03 30.56 2k0a n LYS 56 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2k0a s ASN 57 N -3.80 0.30 0.21 4.39 6.03 -0.45 -3.48 114.94 118.14 2k0a s ASN 57 Ca 0.43 -0.10 -0.30 0.00 -1.03 0.00 0.00 52.86 51.86 2k0a s ASN 57 Cb -0.25 -0.02 -0.09 0.00 -3.03 0.00 0.00 41.25 37.87 2k0a s ASN 57 CO 1.00 -0.01 1.29 0.00 -2.03 0.00 0.00 177.10 177.35 2k0a h ILE 59 N 3.66 1.40 0.07 0.00 3.07 -0.98 0.28 117.51 125.01 2k0a h ILE 59 Ca -0.45 -2.00 -0.00 0.00 1.55 0.00 0.00 64.86 63.96 2k0a h ILE 59 Cb 1.22 2.03 0.00 0.00 -0.27 0.00 0.00 36.82 39.80 2k0a h ILE 59 CO 0.76 0.58 -0.03 0.40 -1.05 0.00 0.00 178.15 178.81 2k0a h ILE 60 N 0.12 1.21 -0.00 0.16 2.04 -1.86 -3.10 117.51 116.08 2k0a h ILE 60 Ca -0.01 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.74 2k0a h ILE 60 Cb 1.09 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 2k0a h ILE 60 CO 0.09 0.27 -0.42 0.00 0.00 0.00 0.00 178.15 178.09 2k0a n ASN 62 N -1.02 -3.42 0.22 0.00 6.94 0.96 -4.56 115.26 114.38 2k0a n ASN 62 Ca 0.09 -0.99 0.00 0.00 -0.02 0.00 0.00 54.58 53.65 2k0a n ASN 62 Cb 0.35 -2.85 0.00 0.00 -2.36 0.00 0.00 39.78 34.92 2k0a n ASN 62 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2k0a n LEU 63 N -4.41 -3.69 -4.76 -4.53 -0.00 -1.16 -4.91 117.00 93.55 2k0a n LEU 63 Ca 0.07 0.85 -0.39 0.00 -0.00 0.00 0.00 56.01 56.54 2k0a n LEU 63 Cb 0.49 3.46 0.03 0.00 -0.00 0.00 0.00 43.42 47.40 2k0a n LEU 63 CO 0.85 0.16 1.04 0.20 -0.00 0.00 0.00 177.39 179.64 2k0a s ASN 64 N -2.33 5.53 0.00 1.96 0.02 -1.26 -4.54 114.94 114.33 2k0a s ASN 64 Ca 0.00 2.87 -0.30 0.00 -1.02 0.00 0.00 52.86 54.41 2k0a s ASN 64 Cb 0.00 -2.65 -0.08 0.00 0.02 0.00 0.00 41.25 38.54 2k0a s ASN 64 CO 0.00 -1.40 1.92 -0.69 0.02 0.00 0.00 177.10 176.95 2k0a s VAL 65 N -1.24 3.13 0.31 1.60 1.01 -1.26 0.94 120.40 124.88 2k0a s VAL 65 Ca 0.67 0.15 -0.27 0.00 0.00 0.00 0.00 61.98 62.53 2k0a s VAL 65 Cb -0.43 -3.10 -0.09 0.00 0.00 0.00 0.00 36.38 32.76 2k0a s VAL 65 CO 0.53 -0.02 0.99 -0.83 0.00 0.00 0.00 175.10 175.77 2k0a s GLY 66 N 4.46 2.92 0.00 4.51 0.00 -1.23 -4.13 107.32 113.85 2k0a s GLY 66 Ca 0.86 0.64 0.00 0.00 0.00 0.00 0.00 44.72 46.22 2k0a s GLY 66 CO 0.39 1.14 0.00 3.33 0.00 0.00 0.00 173.10 177.96 2k0a n VAL 67 N 0.80 0.00 -4.23 1.40 0.24 0.62 -4.75 118.33 112.41 2k0a n VAL 67 Ca 0.01 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.97 2k0a n VAL 67 Cb 0.48 -0.87 -0.12 0.00 -1.47 0.00 0.00 33.84 31.86 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 -4.43 4.91 0.30 -1.34 0.01 -0.39 -4.82 114.94 109.19 2k0a s ASN 68 Ca 0.00 -0.13 -0.30 0.00 -0.71 0.00 0.00 52.86 51.72 2k0a s ASN 68 Cb 0.00 -1.82 -0.12 0.00 0.41 0.00 0.00 41.25 39.72 2k0a s ASN 68 CO 0.00 0.13 1.47 0.47 -1.51 0.00 0.00 177.10 177.65 2k0a n ASP 69 N 3.81 3.33 -4.79 -1.22 9.92 -1.26 0.95 116.55 127.30 2k0a n ASP 69 Ca -0.17 1.17 -0.36 0.00 -0.53 0.00 0.00 54.79 54.90 2k0a n ASP 69 Cb 0.52 -1.53 -0.05 0.00 -0.64 0.00 0.00 41.12 39.42 2k0a n ASP 69 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k0a s ALA 70 N -0.43 3.10 -0.04 2.24 0.00 -0.48 -4.77 121.76 121.38 2k0a s ALA 70 Ca 0.62 0.62 0.04 0.00 0.00 0.00 0.00 51.96 53.23 2k0a s ALA 70 Cb -0.55 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.34 2k0a s ALA 70 CO 0.54 -0.08 -0.15 -0.06 0.00 0.00 0.00 175.76 176.01 2k0a s PHE 71 N -1.73 1.54 0.09 0.00 0.40 -1.26 -0.52 117.98 116.50 2k0a s PHE 71 Ca 0.57 -0.46 -0.31 0.00 -0.60 0.00 0.00 56.93 56.14 2k0a s PHE 71 Cb -0.19 -1.06 -0.09 0.00 0.51 0.00 0.00 43.02 42.19 2k0a s PHE 71 CO 0.25 -0.17 1.73 0.71 0.70 0.00 0.00 175.22 178.43 2k0a s TYR 72 N 0.16 2.28 0.81 0.36 2.02 0.17 -4.59 117.35 118.56 2k0a s TYR 72 Ca -0.05 0.16 -0.11 0.00 -0.37 0.00 0.00 57.07 56.70 2k0a s TYR 72 Cb -0.12 -4.06 0.08 0.00 -0.40 0.00 0.00 41.96 37.47 2k0a s TYR 72 CO 0.02 -4.30 1.09 0.00 -1.57 0.00 0.00 175.55 170.79 2k0a h TRP 74 N -1.28 -0.39 -0.32 0.00 -0.00 -0.83 0.40 115.95 113.53 2k0a h TRP 74 Ca -0.45 0.06 -0.03 0.00 -0.00 0.00 0.00 58.89 58.47 2k0a h TRP 74 Cb 1.25 0.27 -0.01 0.00 -0.00 0.00 0.00 29.16 30.66 2k0a h TRP 74 CO 0.54 -0.29 0.09 0.93 -0.00 0.00 0.00 178.44 179.71 2k0a h GLU 75 N -0.01 0.51 -0.23 2.65 5.08 -1.92 0.25 114.58 120.91 2k0a h GLU 75 Ca 0.31 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 2k0a h GLU 75 Cb 0.48 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2k0a h GLU 75 CO -0.67 0.56 -0.11 0.00 -1.00 0.00 0.00 179.01 177.78 2k0a h ARG 78 N 0.83 0.68 -0.13 0.00 1.12 0.09 -2.16 114.38 114.81 2k0a h ARG 78 Ca 0.12 -0.08 -0.10 0.00 -1.11 0.00 0.00 59.98 58.81 2k0a h ARG 78 Cb 0.71 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.52 2k0a h ARG 78 CO 0.05 0.54 -0.36 -0.07 -3.11 0.00 0.00 179.97 177.03 2k0a h LEU 79 N 0.64 0.27 -0.89 3.80 3.38 -0.77 -3.47 115.31 118.27 2k0a h LEU 79 Ca 0.17 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2k0a h LEU 79 Cb 0.06 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2k0a h LEU 79 CO -0.03 0.61 0.00 0.61 0.09 0.00 0.00 178.44 179.73 2k0a n GLY 80 N -0.30 0.63 0.13 0.83 0.00 0.16 -4.97 105.19 101.66 2k0a n GLY 80 Ca -0.01 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.44 0.23 0.11 1.61 4.76 0.17 -2.96 118.16 121.64 2k0a n LYS 81 Ca 0.00 0.36 0.02 0.00 -2.87 0.00 0.00 58.31 55.82 2k0a n LYS 81 Cb 0.26 -1.87 0.38 0.00 -1.84 0.00 0.00 35.03 31.96 2k0a n LYS 81 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 2k0a h ASP 82 N 0.00 0.23 1.21 4.39 2.03 -1.92 -2.51 116.42 119.86 2k0a h ASP 82 Ca 0.00 -0.05 -0.02 0.00 -0.73 0.00 0.00 57.03 56.23 2k0a h ASP 82 Cb 0.51 -0.06 -0.00 0.00 -0.83 0.00 0.00 39.33 38.94 2k0a h ASP 82 CO 0.00 0.40 -0.11 0.07 -1.03 0.00 0.00 179.24 178.57 2k0a h LYS 83 N 0.23 0.00 0.40 4.15 5.09 -1.94 -3.22 116.57 121.29 2k0a h LYS 83 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.78 2k0a h LYS 83 Cb 0.39 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.71 2k0a h LYS 83 CO 0.02 0.11 -0.28 -0.44 -2.09 0.00 0.00 179.45 176.77 2k0a h ASP 84 N 0.00 -0.72 0.00 7.07 5.19 -1.62 -3.49 116.42 122.85 2k0a h ASP 84 Ca -0.00 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 2k0a h ASP 84 Cb 0.74 0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.48 2k0a h ASP 84 CO 0.01 -0.43 0.00 0.61 -3.12 0.00 0.00 179.24 176.31 2k0a n GLY 85 N -1.41 0.43 3.62 2.75 0.00 -1.22 -4.61 105.19 104.75 2k0a n GLY 85 Ca -0.10 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 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 8.16 1.17 -2.66 0.00 -0.04 -1.26 0.35 135.00 140.72 2k0a n PRO 87 Ca 0.24 -0.39 -0.40 0.00 -0.04 0.00 0.00 63.50 62.90 2k0a n PRO 87 Cb 0.45 -1.15 -0.05 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.44 4.78 -0.10 0.54 1.81 -1.26 -4.77 118.95 119.52 2k0a s ARG 88 Ca 0.08 1.59 -0.17 0.00 -1.72 0.00 0.00 55.73 55.50 2k0a s ARG 88 Cb 0.06 -3.26 -0.05 0.00 -0.45 0.00 0.00 34.95 31.26 2k0a s ARG 88 CO 0.01 0.40 0.43 0.42 -0.68 0.00 0.00 175.30 175.89 2k0a s ILE 89 N -1.08 5.17 -0.39 1.52 -1.09 -1.18 -1.12 121.20 123.03 2k0a s ILE 89 Ca 0.43 0.87 0.06 0.00 -2.23 0.00 0.00 60.65 59.77 2k0a s ILE 89 Cb -0.28 -3.77 0.30 0.00 -1.58 0.00 0.00 42.46 37.14 2k0a s ILE 89 CO 0.35 0.39 1.24 0.00 -1.23 0.00 0.00 174.94 175.68 2k0a n LEU 90 N 3.27 -1.80 0.14 2.97 -0.00 -0.73 -4.85 117.00 115.99 2k0a n LEU 90 Ca -0.09 -3.00 -0.01 0.00 -0.00 0.00 0.00 56.01 52.91 2k0a n LEU 90 Cb 0.52 0.60 0.18 0.00 -0.00 0.00 0.00 43.42 44.72 2k0a n LEU 90 CO 0.41 1.77 0.51 -0.55 -0.00 0.00 0.00 177.39 179.54 2k0a h ASN 91 N 2.19 0.00 0.00 1.45 7.08 -1.25 -3.45 115.58 121.60 2k0a h ASN 91 Ca -0.28 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.94 2k0a h ASN 91 Cb 1.21 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.45 2k0a h ASN 91 CO -0.02 0.60 0.00 -0.11 -2.08 0.00 0.00 177.43 175.82 2k0a n LEU 92 N -3.82 -3.87 -1.75 6.14 7.94 -1.26 -4.96 117.00 115.41 2k0a n LEU 92 Ca -0.01 0.85 -0.19 0.00 -1.11 0.00 0.00 56.01 55.54 2k0a n LEU 92 Cb 0.60 3.64 -0.06 0.00 0.53 0.00 0.00 43.42 48.13 2k0a n LEU 92 CO 0.42 0.25 -0.20 0.61 -1.11 0.00 0.00 177.39 177.36 2k0a n GLY 93 N -1.48 1.28 3.84 -3.96 0.00 -1.26 -0.89 105.19 102.71 2k0a n GLY 93 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2k0a n GLY 93 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k0a n SER 94 N -1.35 -5.13 0.20 1.61 2.88 -1.26 -4.70 113.62 105.87 2k0a n SER 94 Ca -0.20 -0.72 0.00 0.00 -1.33 0.00 0.00 58.87 56.62 2k0a n SER 94 Cb 0.64 -4.16 0.00 0.00 -0.75 0.00 0.00 64.21 59.93 2k0a n SER 94 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2k0a n ASN 95 N -2.88 -3.57 -4.70 -3.46 5.15 -0.53 -5.00 115.26 100.28 2k0a n ASN 95 Ca 0.03 0.76 -0.42 0.00 -0.60 0.00 0.00 54.58 54.35 2k0a n ASN 95 Cb 0.54 3.39 -0.03 0.00 -0.53 0.00 0.00 39.78 43.15 2k0a n ASN 95 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k0a s ARG 96 N -2.00 4.33 -1.42 1.20 1.04 -0.07 -2.69 118.95 119.34 2k0a s ARG 96 Ca 0.00 1.90 -0.11 0.00 -1.04 0.00 0.00 55.73 56.48 2k0a s ARG 96 Cb 0.00 -3.46 0.08 0.00 -2.04 0.00 0.00 34.95 29.53 2k0a s ARG 96 CO 0.00 -0.46 0.65 1.28 -0.04 0.00 0.00 175.30 176.73 2k0a n LEU 97 N 4.77 -1.91 0.05 -1.89 4.77 -1.26 -4.56 117.00 116.96 2k0a n LEU 97 Ca 0.12 -0.53 -0.20 0.00 -0.03 0.00 0.00 56.01 55.36 2k0a n LEU 97 Cb 0.44 -2.31 -0.12 0.00 -2.33 0.00 0.00 43.42 39.11 2k0a n LEU 97 CO 0.57 0.25 0.08 -2.24 -1.33 0.00 0.00 177.39 174.72 2k0a h ASP 98 N -1.33 0.75 0.00 -1.43 3.04 -1.85 -3.47 116.42 112.13 2k0a h ASP 98 Ca -0.49 -0.79 0.00 0.00 -3.24 0.00 0.00 57.03 52.51 2k0a h ASP 98 Cb 1.33 -0.23 0.00 0.00 -1.04 0.00 0.00 39.33 39.38 2k0a h ASP 98 CO 0.60 1.46 0.00 -1.14 -2.04 0.00 0.00 179.24 178.12 2k0a n ARG 99 N -3.97 0.00 -1.93 4.15 0.63 -1.26 -5.07 116.66 109.21 2k0a n ARG 99 Ca -0.12 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.40 2k0a n ARG 99 Cb 0.85 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.74 2k0a n ARG 99 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2k0a s HIS 100 N 0.00 2.88 -0.17 -0.14 3.76 -1.26 -5.02 115.29 115.34 2k0a s HIS 100 Ca 0.00 1.07 -0.07 0.00 -0.15 0.00 0.00 55.06 55.91 2k0a s HIS 100 Cb 0.00 -3.89 0.08 0.00 1.11 0.00 0.00 32.58 29.87 2k0a s HIS 100 CO 0.00 -2.80 0.37 -0.59 -0.85 0.00 0.00 174.74 170.87 2k0a s PHE 101 N -0.43 -0.64 0.00 1.40 -0.12 -1.26 -4.70 117.98 112.23 2k0a s PHE 101 Ca 0.57 1.30 0.00 0.00 -0.05 0.00 0.00 56.93 58.75 2k0a s PHE 101 Cb -0.44 0.19 0.00 0.00 -0.63 0.00 0.00 43.02 42.15 2k0a s PHE 101 CO 0.50 -0.41 0.00 0.39 -0.05 0.00 0.00 175.22 175.65 2k0a n GLU 102 N 5.12 0.00 -2.32 1.99 1.02 -1.17 -4.82 120.64 120.45 2k0a n GLU 102 Ca -0.11 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.67 2k0a n GLU 102 Cb 0.51 -0.34 -0.04 0.00 -0.02 0.00 0.00 31.44 31.55 2k0a n GLU 102 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2k0a s LYS 103 N -1.22 3.09 0.00 3.49 1.02 -1.26 -4.49 119.74 120.37 2k0a s LYS 103 Ca 0.00 -0.61 0.00 0.00 0.02 0.00 0.00 55.97 55.38 2k0a s LYS 103 Cb 0.00 -5.08 0.00 0.00 -0.52 0.00 0.00 37.83 32.23 2k0a s LYS 103 CO 0.00 -2.70 0.00 1.63 -0.92 0.00 0.00 175.35 173.36 2k0a n LYS 104 N 8.94 0.00 0.00 1.68 5.02 -1.26 -4.16 118.16 128.37 2k0a n LYS 104 Ca 0.32 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 2k0a n LYS 104 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 2k0a n LYS 104 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k0a n LYS 105 N 0.00 0.02 -1.17 1.97 5.02 -1.26 -5.00 118.16 117.74 2k0a n LYS 105 Ca 0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 2k0a n LYS 105 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.90 2k0a n LYS 105 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k0a n LYS 106 N 0.00 2.77 0.00 1.97 4.76 -1.26 -3.06 118.16 123.34 2k0a n LYS 106 Ca 0.00 -1.60 0.00 0.00 -2.87 0.00 0.00 58.31 53.84 2k0a n LYS 106 Cb 0.00 -2.34 0.00 0.00 -1.84 0.00 0.00 35.03 30.85 2k0a n LYS 106 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31