#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 1.64 7.00 -0.02 0.00 -1.15 -4.88 105.19 107.78 2k0a n GLY 0 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.00 1.61 2.88 -1.26 -4.60 113.62 112.25 2k0a n SER 1 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2k0a n SER 1 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2k0a n SER 1 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2k0a n SER 2 N -0.06 0.77 -3.33 -3.46 2.88 -1.26 -5.07 113.62 104.08 2k0a n SER 2 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 2k0a n SER 2 Cb 0.00 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.54 2k0a n SER 2 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2k0a n ARG 3 N 0.00 -3.75 -4.25 -1.46 1.74 -1.26 -4.99 116.66 102.69 2k0a n ARG 3 Ca 0.00 0.85 -0.28 0.00 -0.77 0.00 0.00 57.85 57.65 2k0a n ARG 3 Cb 0.00 -5.80 -0.17 0.00 -1.02 0.00 0.00 32.46 25.47 2k0a n ARG 3 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2k0a s HIS 4 N -3.39 1.84 0.37 -1.55 -3.43 -1.26 -5.04 115.29 102.83 2k0a s HIS 4 Ca 0.30 -0.90 0.08 0.00 -0.80 0.00 0.00 55.06 53.74 2k0a s HIS 4 Cb -0.04 -1.37 -0.02 0.00 -1.43 0.00 0.00 32.58 29.72 2k0a s HIS 4 CO 0.74 -0.50 0.34 1.14 -2.00 0.00 0.00 174.74 174.46 2k0a s GLN 5 N 1.22 2.66 7.89 -0.38 -2.07 -1.26 -4.82 119.66 122.89 2k0a s GLN 5 Ca -0.03 -1.39 0.00 0.00 -1.82 0.00 0.00 55.36 52.13 2k0a s GLN 5 Cb -0.14 -2.45 0.00 0.00 -1.09 0.00 0.00 33.01 29.33 2k0a s GLN 5 CO -0.04 -0.04 0.00 0.34 -1.32 0.00 0.00 175.29 174.22 2k0a n PHE 6 N -1.47 0.00 -1.68 9.60 7.35 -1.26 -1.20 117.46 128.80 2k0a n PHE 6 Ca 0.01 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.67 2k0a n PHE 6 Cb 0.60 0.00 0.16 0.00 0.35 0.00 0.00 39.48 40.60 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 6.68 2.63 -4.76 -2.13 5.75 -1.26 -5.05 116.55 118.40 2k0a n ASP 7 Ca 0.00 -3.86 -0.38 0.00 -0.01 0.00 0.00 54.79 50.54 2k0a n ASP 7 Cb 0.00 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 39.59 2k0a n ASP 7 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2k0a s LEU 8 N -3.34 4.01 -0.33 -2.12 1.43 -0.34 -4.88 118.68 113.12 2k0a s LEU 8 Ca 0.42 2.48 0.16 0.00 -1.03 0.00 0.00 54.13 56.15 2k0a s LEU 8 Cb 0.39 -4.19 0.44 0.00 0.03 0.00 0.00 46.19 42.86 2k0a s LEU 8 CO -0.04 -1.06 1.31 2.30 0.23 0.00 0.00 176.35 179.09 2k0a n ILE 9 N -0.51 0.48 -1.93 -0.59 -6.64 -1.26 -4.76 119.36 104.16 2k0a n ILE 9 Ca 0.07 -1.90 -0.41 0.00 -1.77 0.00 0.00 62.75 58.74 2k0a n ILE 9 Cb 0.47 1.04 -0.02 0.00 -1.44 0.00 0.00 39.64 39.69 2k0a n ILE 9 CO 0.00 0.00 0.00 -0.04 -1.77 0.00 0.00 176.55 174.74 2k0a s MET 10 N -1.38 4.21 0.21 6.28 1.00 -1.26 -4.05 119.30 124.32 2k0a s MET 10 Ca 0.19 2.41 -0.11 0.00 0.00 0.00 0.00 55.69 58.18 2k0a s MET 10 Cb 0.41 -3.06 0.29 0.00 0.00 0.00 0.00 34.83 32.47 2k0a s MET 10 CO -0.07 -0.47 1.65 0.00 0.00 0.00 0.00 175.02 176.13 2k0a n LEU 12 N -5.31 -1.03 0.00 0.00 4.77 0.32 -4.57 117.00 111.18 2k0a n LEU 12 Ca 0.09 -1.20 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 2k0a n LEU 12 Cb 0.36 -1.70 0.00 0.00 -2.33 0.00 0.00 43.42 39.74 2k0a n LEU 12 CO 0.09 0.16 0.00 0.29 -1.33 0.00 0.00 177.39 176.60 2k0a n LYS 13 N -4.15 0.98 -2.70 3.23 5.02 -1.26 -2.93 118.16 116.35 2k0a n LYS 13 Ca 0.09 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.95 2k0a n LYS 13 Cb 0.47 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.45 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 -0.05 3.70 0.36 1.97 2.00 -1.26 -3.46 119.66 122.91 2k0a s GLN 14 Ca 0.00 0.47 -0.24 0.00 -2.00 0.00 0.00 55.36 53.59 2k0a s GLN 14 Cb 0.00 -3.89 -0.10 0.00 0.80 0.00 0.00 33.01 29.82 2k0a s GLN 14 CO 0.00 -1.25 0.94 -1.25 -0.50 0.00 0.00 175.29 173.23 2k0a s PRO 15 N 4.06 4.44 0.00 1.67 0.04 -1.26 -4.11 135.00 139.84 2k0a s PRO 15 Ca 0.43 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.71 2k0a s PRO 15 Cb -0.09 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.88 2k0a s PRO 15 CO 0.27 0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.89 2k0a n GLY 16 N 0.10 1.89 0.05 0.56 0.00 -0.84 -4.87 105.19 102.09 2k0a n GLY 16 Ca 0.04 -1.78 0.11 0.00 0.00 0.00 0.00 46.02 44.39 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 0.28 -1.98 1.61 0.24 -1.26 -4.61 118.33 112.60 2k0a n VAL 17 Ca 0.00 -0.42 -0.40 0.00 -2.04 0.00 0.00 64.34 61.49 2k0a n VAL 17 Cb 0.00 -0.03 -0.00 0.00 -1.47 0.00 0.00 33.84 32.34 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 -3.34 3.96 -0.18 7.34 1.11 -1.26 -4.89 119.66 122.40 2k0a s GLN 18 Ca -0.01 2.25 -0.04 0.00 0.01 0.00 0.00 55.36 57.57 2k0a s GLN 18 Cb 0.13 -2.79 -0.02 0.00 -1.01 0.00 0.00 33.01 29.32 2k0a s GLN 18 CO 0.83 -0.53 -0.02 0.99 0.01 0.00 0.00 175.29 176.57 2k0a s THR 19 N -1.22 3.87 0.32 -0.19 2.01 -1.26 -0.43 115.64 118.74 2k0a s THR 19 Ca 0.57 -0.35 -0.29 0.00 0.31 0.00 0.00 61.69 61.92 2k0a s THR 19 Cb -0.40 -2.73 -0.11 0.00 0.01 0.00 0.00 72.50 69.28 2k0a s THR 19 CO 0.52 0.46 1.44 -0.83 -0.69 0.00 0.00 174.62 175.51 2k0a s GLY 20 N 0.76 2.71 0.53 4.40 0.00 -1.26 -4.87 107.32 109.58 2k0a s GLY 20 Ca -0.01 1.42 -0.17 0.00 0.00 0.00 0.00 44.72 45.97 2k0a s GLY 20 CO 0.02 2.20 1.00 1.08 0.00 0.00 0.00 173.10 177.40 2k0a s LEU 21 N -1.39 3.61 -0.10 0.66 1.43 -1.24 -1.80 118.68 119.85 2k0a s LEU 21 Ca 0.54 1.62 0.02 0.00 -1.03 0.00 0.00 54.13 55.29 2k0a s LEU 21 Cb -0.44 -4.51 0.01 0.00 0.03 0.00 0.00 46.19 41.28 2k0a s LEU 21 CO 0.53 -0.68 -0.17 -0.22 0.23 0.00 0.00 176.35 176.04 2k0a s LEU 22 N -4.12 1.82 0.39 1.79 2.96 0.30 -0.43 118.68 121.40 2k0a s LEU 22 Ca 0.60 -0.44 -0.20 0.00 -0.22 0.00 0.00 54.13 53.87 2k0a s LEU 22 Cb -0.11 -1.13 -0.10 0.00 0.50 0.00 0.00 46.19 45.35 2k0a s LEU 22 CO 0.32 0.06 0.90 0.00 -1.32 0.00 0.00 176.35 176.31 2k0a h GLU 24 N 2.12 0.41 -0.69 0.00 5.08 -1.94 0.15 114.58 119.71 2k0a h GLU 24 Ca -0.49 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.82 2k0a h GLU 24 Cb 1.18 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 2k0a h GLU 24 CO 0.62 0.27 0.32 0.87 -1.00 0.00 0.00 179.01 180.09 2k0a h LYS 25 N 0.42 0.99 0.00 2.33 1.79 -1.96 -2.63 116.57 117.51 2k0a h LYS 25 Ca 0.46 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 2k0a h LYS 25 Cb 1.12 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 2k0a h LYS 25 CO -0.17 0.77 -1.16 0.00 -1.08 0.00 0.00 179.45 177.81 2k0a n ASP 27 N -2.27 2.63 0.00 0.00 -0.08 0.42 -0.39 116.55 116.87 2k0a n ASP 27 Ca 0.00 0.38 0.00 0.00 -1.51 0.00 0.00 54.79 53.66 2k0a n ASP 27 Cb 0.50 -1.38 0.00 0.00 2.34 0.00 0.00 41.12 42.58 2k0a n ASP 27 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k0a n GLY 28 N 6.11 1.54 3.72 0.27 0.00 -1.26 -4.99 105.19 110.58 2k0a n GLY 28 Ca 0.36 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 4.60 -0.25 1.61 1.02 0.48 -4.07 119.74 123.13 2k0a s LYS 29 Ca 0.00 1.52 -0.29 0.00 0.02 0.00 0.00 55.97 57.22 2k0a s LYS 29 Cb 0.00 -3.39 0.01 0.00 -0.52 0.00 0.00 37.83 33.93 2k0a s LYS 29 CO 0.00 0.04 1.03 0.00 -0.92 0.00 0.00 175.35 175.50 2k0a h PRO 31 N 7.64 0.68 0.27 0.00 0.11 -1.90 0.59 132.00 139.39 2k0a h PRO 31 Ca -0.20 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 2k0a h PRO 31 Cb 1.06 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2k0a h PRO 31 CO 0.98 0.45 -0.13 0.82 -0.21 0.00 0.00 178.00 179.91 2k0a h ILE 32 N 0.70 0.75 0.00 4.15 1.08 -1.91 -3.36 117.51 118.92 2k0a h ILE 32 Ca 0.43 -0.14 -0.04 0.00 -0.39 0.00 0.00 64.86 64.71 2k0a h ILE 32 Cb 0.65 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 35.23 2k0a h ILE 32 CO -0.19 0.03 -1.72 0.00 -0.69 0.00 0.00 178.15 175.58 2k0a n ASP 34 N -2.10 -6.38 -3.64 0.00 2.03 0.21 -5.02 116.55 101.65 2k0a n ASP 34 Ca -0.06 0.62 -0.08 0.00 0.52 0.00 0.00 54.79 55.79 2k0a n ASP 34 Cb 0.48 -4.20 -0.07 0.00 -0.72 0.00 0.00 41.12 36.61 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 -1.84 -0.41 -0.00 1.67 0.15 -1.25 -4.90 113.70 107.11 2k0a s SER 35 Ca 0.12 0.78 -0.04 0.00 0.70 0.00 0.00 55.95 57.51 2k0a s SER 35 Cb -0.03 0.83 -0.16 0.00 -1.71 0.00 0.00 66.02 64.95 2k0a s SER 35 CO 0.57 -0.13 2.97 -1.22 1.20 0.00 0.00 173.24 176.62 2k0a n TYR 36 N 2.31 0.02 -3.59 3.44 4.02 -1.26 -2.20 117.16 119.91 2k0a n TYR 36 Ca -0.13 -1.31 -0.33 0.00 -0.01 0.00 0.00 57.90 56.13 2k0a n TYR 36 Cb 0.56 -1.16 -0.05 0.00 -0.02 0.00 0.00 39.34 38.67 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 0.56 5.09 -0.33 -0.72 0.11 -1.26 -4.98 120.40 118.88 2k0a s VAL 37 Ca 0.40 0.26 -0.45 0.00 -2.93 0.00 0.00 61.98 59.27 2k0a s VAL 37 Cb 0.19 -3.63 -0.20 0.00 -1.53 0.00 0.00 36.38 31.21 2k0a s VAL 37 CO -0.00 0.10 1.43 0.54 -3.33 0.00 0.00 175.10 173.83 2k0a n ARG 38 N 0.31 0.02 -2.19 1.54 1.74 -1.26 -4.71 116.66 112.11 2k0a n ARG 38 Ca -0.04 0.01 -0.34 0.00 -0.77 0.00 0.00 57.85 56.71 2k0a n ARG 38 Cb 0.52 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 2k0a n ARG 38 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2k0a s PRO 39 N 2.02 3.37 0.00 5.56 0.04 -1.26 0.39 135.00 145.13 2k0a s PRO 39 Ca 1.00 1.39 0.00 0.00 0.04 0.00 0.00 61.00 63.43 2k0a s PRO 39 Cb -1.42 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 31.10 2k0a s PRO 39 CO 0.73 -0.79 0.00 1.17 0.04 0.00 0.00 177.00 178.15 2k0a n LYS 40 N -1.60 0.64 -3.65 4.56 4.81 0.51 -4.57 118.16 118.85 2k0a n LYS 40 Ca 0.10 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.39 2k0a n LYS 40 Cb 0.52 -0.78 -0.08 0.00 0.02 0.00 0.00 35.03 34.71 2k0a n LYS 40 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2k0a s ARG 41 N -1.56 0.78 0.46 1.64 1.70 -1.12 -5.00 118.95 115.85 2k0a s ARG 41 Ca 0.00 0.39 -0.25 0.00 -0.47 0.00 0.00 55.73 55.40 2k0a s ARG 41 Cb 0.00 0.37 -0.08 0.00 -0.57 0.00 0.00 34.95 34.67 2k0a s ARG 41 CO 0.00 -0.18 1.43 1.63 -1.08 0.00 0.00 175.30 177.11 2k0a n LYS 42 N 1.85 2.21 -1.67 3.89 5.02 -1.26 0.70 118.16 128.91 2k0a n LYS 42 Ca -0.17 0.79 -0.33 0.00 -2.02 0.00 0.00 58.31 56.58 2k0a n LYS 42 Cb 0.56 -2.64 0.06 0.00 -0.02 0.00 0.00 35.03 32.99 2k0a n LYS 42 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2k0a s VAL 43 N -1.20 3.07 -0.25 -0.18 -7.23 0.63 -4.62 120.40 110.63 2k0a s VAL 43 Ca 0.62 0.49 -0.01 0.00 -1.81 0.00 0.00 61.98 61.28 2k0a s VAL 43 Cb -0.44 -3.01 0.03 0.00 0.56 0.00 0.00 36.38 33.52 2k0a s VAL 43 CO 0.57 -0.31 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.84 2k0a s ARG 44 N -4.10 2.76 -0.01 4.82 3.00 -1.26 -4.06 118.95 120.09 2k0a s ARG 44 Ca 0.68 -1.02 -0.14 0.00 0.00 0.00 0.00 55.73 55.25 2k0a s ARG 44 Cb -0.22 -2.94 -0.05 0.00 0.00 0.00 0.00 34.95 31.73 2k0a s ARG 44 CO 0.43 -0.41 0.39 0.54 0.00 0.00 0.00 175.30 176.24 2k0a s VAL 45 N 1.29 5.08 0.53 3.52 0.11 0.43 -4.13 120.40 127.23 2k0a s VAL 45 Ca -0.01 0.78 -0.21 0.00 -2.93 0.00 0.00 61.98 59.62 2k0a s VAL 45 Cb -0.17 -3.69 -0.05 0.00 -1.53 0.00 0.00 36.38 30.94 2k0a s VAL 45 CO -0.05 0.57 1.23 0.00 -3.33 0.00 0.00 175.10 173.52 2k0a h GLU 47 N 1.46 0.05 -0.93 0.00 4.81 -1.91 0.10 114.58 118.16 2k0a h GLU 47 Ca -0.50 -0.00 0.09 0.00 -0.13 0.00 0.00 59.36 58.81 2k0a h GLU 47 Cb 1.28 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.57 2k0a h GLU 47 CO 0.58 0.03 0.58 -0.91 -0.73 0.00 0.00 179.01 178.56 2k0a h ASN 48 N 0.05 0.88 1.48 1.04 4.21 -1.90 0.34 115.58 121.70 2k0a h ASN 48 Ca 0.17 0.03 -0.10 0.00 1.21 0.00 0.00 56.30 57.61 2k0a h ASN 48 Cb 0.61 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.65 2k0a h ASN 48 CO -0.01 0.52 -0.52 0.00 -1.29 0.00 0.00 177.43 176.13 2k0a h SER 50 N 0.00 0.73 0.00 0.00 0.02 0.39 -2.80 113.55 111.88 2k0a h SER 50 Ca -0.01 -0.80 -0.02 0.00 -0.84 0.00 0.00 61.79 60.12 2k0a h SER 50 Cb 1.37 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 2k0a h SER 50 CO 0.06 1.44 -0.04 2.22 -1.14 0.00 0.00 176.83 179.37 2k0a n PHE 51 N -3.99 0.00 -3.47 3.45 1.16 0.95 -4.75 117.46 110.82 2k0a n PHE 51 Ca -0.12 -1.03 -0.10 0.00 -1.87 0.00 0.00 57.45 54.33 2k0a n PHE 51 Cb 0.84 -0.61 -0.02 0.00 -1.61 0.00 0.00 39.48 38.08 2k0a n PHE 51 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 2k0a s GLY 52 N 2.00 -0.53 0.10 4.97 0.00 -1.25 -5.01 107.32 107.59 2k0a s GLY 52 Ca 0.07 0.79 0.08 0.00 0.00 0.00 0.00 44.72 45.67 2k0a s GLY 52 CO 0.00 0.27 1.26 0.58 0.00 0.00 0.00 173.10 175.22 2k0a n LYS 53 N -0.28 0.05 -0.36 2.90 2.85 -1.26 -1.95 118.16 120.11 2k0a n LYS 53 Ca -0.13 0.50 0.01 0.00 -1.05 0.00 0.00 58.31 57.65 2k0a n LYS 53 Cb 0.63 -1.64 0.15 0.00 -0.65 0.00 0.00 35.03 33.52 2k0a n LYS 53 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 2k0a h GLN 54 N 0.00 1.14 -0.26 -1.58 1.08 -1.93 -1.76 115.11 111.81 2k0a h GLN 54 Ca 0.00 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.09 2k0a h GLN 54 Cb 0.05 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.21 2k0a h GLN 54 CO 0.00 0.76 -0.01 0.00 -0.95 0.00 0.00 178.83 178.63 2k0a h ALA 55 N 1.42 1.51 -0.02 3.87 0.00 -1.10 -1.98 119.26 122.95 2k0a h ALA 55 Ca 0.40 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2k0a h ALA 55 Cb 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2k0a h ALA 55 CO -0.15 0.36 -0.20 0.87 0.00 0.00 0.00 179.25 180.13 2k0a h LYS 56 N 0.38 0.04 -6.79 0.00 1.79 -1.49 -3.30 116.57 107.20 2k0a h LYS 56 Ca 0.08 -0.01 -0.50 0.00 -2.18 0.00 0.00 60.65 58.05 2k0a h LYS 56 Cb 0.27 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 2k0a h LYS 56 CO 0.01 0.23 0.43 -0.80 -1.08 0.00 0.00 179.45 178.24 2k0a s ASN 57 N -6.98 7.38 0.02 0.86 0.01 -0.75 -0.30 114.94 115.18 2k0a s ASN 57 Ca -0.04 2.16 -0.36 0.00 -0.71 0.00 0.00 52.86 53.91 2k0a s ASN 57 Cb 0.16 -2.62 -0.15 0.00 0.41 0.00 0.00 41.25 39.05 2k0a s ASN 57 CO 0.71 -0.05 1.58 0.00 -1.51 0.00 0.00 177.10 177.83 2k0a h ILE 59 N 4.12 1.00 -0.00 0.00 3.07 -1.06 0.99 117.51 125.63 2k0a h ILE 59 Ca -0.47 -1.25 -0.19 0.00 1.55 0.00 0.00 64.86 64.50 2k0a h ILE 59 Cb 1.30 1.72 0.02 0.00 -0.27 0.00 0.00 36.82 39.58 2k0a h ILE 59 CO 0.87 0.33 -0.75 0.40 -1.05 0.00 0.00 178.15 177.95 2k0a h ILE 60 N 0.00 1.38 -0.01 0.16 2.04 -1.84 -1.25 117.51 117.98 2k0a h ILE 60 Ca -0.00 -2.13 0.00 0.00 1.00 0.00 0.00 64.86 63.73 2k0a h ILE 60 Cb 0.69 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 39.29 2k0a h ILE 60 CO 0.04 0.63 -0.50 0.00 0.00 0.00 0.00 178.15 178.33 2k0a n ASN 62 N -0.66 -0.60 0.16 0.00 6.94 0.34 -2.68 115.26 118.76 2k0a n ASN 62 Ca 0.05 -1.19 0.00 0.00 -0.02 0.00 0.00 54.58 53.42 2k0a n ASN 62 Cb 0.30 -1.98 0.00 0.00 -2.36 0.00 0.00 39.78 35.74 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 -4.38 -2.13 -4.77 -4.53 -0.00 -1.26 -4.91 117.00 95.03 2k0a n LEU 63 Ca -0.15 0.59 -0.39 0.00 -0.00 0.00 0.00 56.01 56.07 2k0a n LEU 63 Cb 0.60 2.11 -0.05 0.00 -0.00 0.00 0.00 43.42 46.09 2k0a n LEU 63 CO 0.87 -0.20 0.74 0.20 -0.00 0.00 0.00 177.39 179.01 2k0a s ASN 64 N -2.93 7.19 0.31 1.96 0.01 -1.26 -4.82 114.94 115.40 2k0a s ASN 64 Ca 0.00 2.12 -0.29 0.00 -0.71 0.00 0.00 52.86 53.99 2k0a s ASN 64 Cb 0.00 -2.61 -0.10 0.00 0.41 0.00 0.00 41.25 38.95 2k0a s ASN 64 CO 0.00 -0.19 1.28 0.54 -1.51 0.00 0.00 177.10 177.22 2k0a s VAL 65 N -1.33 2.86 0.22 1.60 0.11 -1.26 -0.20 120.40 122.40 2k0a s VAL 65 Ca 0.48 0.85 -0.19 0.00 -2.93 0.00 0.00 61.98 60.20 2k0a s VAL 65 Cb -0.27 -3.54 -0.08 0.00 -1.53 0.00 0.00 36.38 30.95 2k0a s VAL 65 CO 0.35 0.20 0.70 -0.83 -3.33 0.00 0.00 175.10 172.19 2k0a s GLY 66 N -0.46 2.57 -0.05 6.54 0.00 0.58 -4.17 107.32 112.34 2k0a s GLY 66 Ca 0.49 0.12 0.01 0.00 0.00 0.00 0.00 44.72 45.34 2k0a s GLY 66 CO 0.50 0.45 -0.03 3.33 0.00 0.00 0.00 173.10 177.34 2k0a n VAL 67 N 0.63 0.27 -3.34 1.40 0.24 0.17 -4.69 118.33 113.01 2k0a n VAL 67 Ca -0.02 -0.11 -0.11 0.00 -2.04 0.00 0.00 64.34 62.05 2k0a n VAL 67 Cb 0.51 -0.70 0.02 0.00 -1.47 0.00 0.00 33.84 32.20 2k0a n VAL 67 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2k0a n ASN 68 N -2.56 1.45 -4.67 -1.34 3.02 0.23 -4.83 115.26 106.56 2k0a n ASN 68 Ca -0.08 -1.86 -0.34 0.00 -0.03 0.00 0.00 54.58 52.27 2k0a n ASN 68 Cb 0.59 -0.12 -0.09 0.00 -0.61 0.00 0.00 39.78 39.55 2k0a n ASN 68 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2k0a s ASP 69 N -2.72 5.11 0.46 6.41 1.11 -1.26 0.11 116.67 125.89 2k0a s ASP 69 Ca 0.23 0.05 -0.20 0.00 0.18 0.00 0.00 52.55 52.82 2k0a s ASP 69 Cb -0.02 -1.37 -0.10 0.00 1.07 0.00 0.00 42.92 42.50 2k0a s ASP 69 CO 0.15 0.33 0.97 0.00 1.18 0.00 0.00 175.17 177.80 2k0a s ALA 70 N -0.97 3.02 -0.03 5.23 0.00 -0.74 -4.77 121.76 123.49 2k0a s ALA 70 Ca 0.16 0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.52 2k0a s ALA 70 Cb -0.11 -3.15 -0.00 0.00 0.00 0.00 0.00 23.12 19.85 2k0a s ALA 70 CO 0.06 -0.04 -0.16 -0.06 0.00 0.00 0.00 175.76 175.57 2k0a s PHE 71 N -2.30 1.53 0.08 0.00 0.40 -1.26 -0.27 117.98 116.16 2k0a s PHE 71 Ca 0.62 -0.40 -0.31 0.00 -0.60 0.00 0.00 56.93 56.23 2k0a s PHE 71 Cb -0.10 -1.03 -0.08 0.00 0.51 0.00 0.00 43.02 42.33 2k0a s PHE 71 CO 0.19 -0.13 1.46 0.71 0.70 0.00 0.00 175.22 178.16 2k0a s TYR 72 N -0.01 2.97 0.79 0.36 2.02 0.22 -4.52 117.35 119.17 2k0a s TYR 72 Ca -0.02 0.76 -0.11 0.00 -0.37 0.00 0.00 57.07 57.33 2k0a s TYR 72 Cb -0.10 -3.76 0.07 0.00 -0.40 0.00 0.00 41.96 37.77 2k0a s TYR 72 CO 0.01 -2.81 1.09 0.00 -1.57 0.00 0.00 175.55 172.27 2k0a h TRP 74 N -1.14 0.81 0.50 0.00 7.01 -0.31 0.85 115.95 123.67 2k0a h TRP 74 Ca -0.45 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.56 2k0a h TRP 74 Cb 1.24 -0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 28.07 2k0a h TRP 74 CO 0.54 0.19 -0.30 0.93 -2.79 0.00 0.00 178.44 177.00 2k0a h GLU 75 N 0.64 -0.73 -0.79 2.65 4.39 -1.92 0.11 114.58 118.92 2k0a h GLU 75 Ca 0.48 0.05 -0.04 0.00 0.34 0.00 0.00 59.36 60.19 2k0a h GLU 75 Cb 0.69 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.47 2k0a h GLU 75 CO -0.37 -0.49 0.34 0.00 -1.16 0.00 0.00 179.01 177.34 2k0a h ARG 78 N 0.87 0.64 -0.53 0.00 2.43 -0.47 -2.72 114.38 114.59 2k0a h ARG 78 Ca 0.18 -0.14 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 2k0a h ARG 78 Cb 0.44 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2k0a h ARG 78 CO 0.01 0.64 -0.00 -0.07 -1.51 0.00 0.00 179.97 179.04 2k0a h LEU 79 N 0.52 0.88 0.00 3.80 3.38 -1.03 -3.47 115.31 119.39 2k0a h LEU 79 Ca 0.13 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2k0a h LEU 79 Cb 0.27 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2k0a h LEU 79 CO -0.00 0.94 0.00 0.61 0.09 0.00 0.00 178.44 180.08 2k0a n GLY 80 N -0.54 1.91 0.21 0.83 0.00 0.11 -5.00 105.19 102.71 2k0a n GLY 80 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.56 0.83 0.17 1.61 5.02 0.13 -2.80 118.16 122.56 2k0a n LYS 81 Ca 0.00 -0.43 0.02 0.00 -2.02 0.00 0.00 58.31 55.88 2k0a n LYS 81 Cb 0.00 -1.49 0.36 0.00 -0.02 0.00 0.00 35.03 33.88 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 1.05 0.05 -0.48 4.39 2.03 -1.85 -1.07 116.42 120.54 2k0a h ASP 82 Ca 0.00 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 2k0a h ASP 82 Cb 0.46 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.94 2k0a h ASP 82 CO 0.00 0.38 0.00 0.29 -1.03 0.00 0.00 179.24 178.88 2k0a n LYS 83 N -4.13 2.33 0.24 4.15 4.76 -1.12 -4.44 118.16 119.95 2k0a n LYS 83 Ca -0.02 -2.04 -0.11 0.00 -2.87 0.00 0.00 58.31 53.27 2k0a n LYS 83 Cb 0.38 -1.47 -0.05 0.00 -1.84 0.00 0.00 35.03 32.05 2k0a n LYS 83 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 2k0a h ASP 84 N 3.60 -0.58 0.00 4.39 3.58 -1.20 -3.50 116.42 122.71 2k0a h ASP 84 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k0a h ASP 84 Cb 0.81 0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.01 2k0a h ASP 84 CO 0.00 -0.16 0.00 0.61 -2.88 0.00 0.00 179.24 176.81 2k0a n GLY 85 N 0.00 -0.52 3.63 -0.78 0.00 -1.26 -4.90 105.19 101.36 2k0a n GLY 85 Ca -0.09 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 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 7.81 1.71 -3.11 0.00 -0.04 -1.26 -0.52 135.00 139.58 2k0a n PRO 87 Ca 0.21 -1.26 -0.39 0.00 -0.04 0.00 0.00 63.50 62.02 2k0a n PRO 87 Cb 0.44 -1.57 -0.05 0.00 -0.04 0.00 0.00 33.50 32.29 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 -1.18 4.41 -0.33 0.54 0.52 -1.26 -4.72 118.95 116.93 2k0a s ARG 88 Ca 0.30 0.78 -0.26 0.00 -0.52 0.00 0.00 55.73 56.04 2k0a s ARG 88 Cb 0.21 -3.44 0.01 0.00 0.52 0.00 0.00 34.95 32.25 2k0a s ARG 88 CO -0.03 0.11 0.90 0.42 0.02 0.00 0.00 175.30 176.71 2k0a s ILE 89 N 0.69 4.65 -0.13 1.52 -1.09 -0.47 -2.50 121.20 123.87 2k0a s ILE 89 Ca 0.35 1.29 -0.20 0.00 -2.23 0.00 0.00 60.65 59.85 2k0a s ILE 89 Cb -0.17 -4.28 -0.25 0.00 -1.58 0.00 0.00 42.46 36.18 2k0a s ILE 89 CO 0.16 -0.41 0.53 -0.07 -1.23 0.00 0.00 174.94 173.92 2k0a h LEU 90 N 9.83 0.21 0.02 2.97 3.38 -1.89 -3.42 115.31 126.41 2k0a h LEU 90 Ca -0.23 -0.80 -0.00 0.00 0.09 0.00 0.00 57.88 56.94 2k0a h LEU 90 Cb 1.08 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2k0a h LEU 90 CO 0.95 1.45 -0.01 -0.55 0.09 0.00 0.00 178.44 180.37 2k0a h ASN 91 N -0.63 -0.02 0.00 -0.43 7.08 -1.90 -3.48 115.58 116.20 2k0a h ASN 91 Ca -0.25 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.98 2k0a h ASN 91 Cb 1.48 0.01 0.00 0.00 -2.08 0.00 0.00 38.32 37.73 2k0a h ASN 91 CO -0.02 -0.01 0.00 -0.11 -2.08 0.00 0.00 177.43 175.21 2k0a n LEU 92 N -2.08 0.00 -4.69 6.14 7.94 -1.26 -5.09 117.00 117.97 2k0a n LEU 92 Ca -0.00 0.00 -0.36 0.00 -1.11 0.00 0.00 56.01 54.53 2k0a n LEU 92 Cb 0.01 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.04 2k0a n LEU 92 CO 0.01 0.00 0.77 0.61 -1.11 0.00 0.00 177.39 177.67 2k0a n GLY 93 N -0.07 0.18 2.07 -3.96 0.00 -1.09 -4.82 105.19 97.50 2k0a n GLY 93 Ca 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 46.02 45.74 2k0a n GLY 93 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k0a n SER 94 N -1.91 3.10 -0.20 1.61 7.64 -1.26 -4.21 113.62 118.40 2k0a n SER 94 Ca 0.15 -2.01 -0.09 0.00 1.01 0.00 0.00 58.87 57.92 2k0a n SER 94 Cb 0.49 -0.79 0.02 0.00 -1.01 0.00 0.00 64.21 62.91 2k0a n SER 94 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2k0a h ASN 95 N 3.71 0.95 -0.27 6.43 2.35 -1.93 -3.45 115.58 123.37 2k0a h ASN 95 Ca 0.08 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 2k0a h ASN 95 Cb 0.81 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.93 2k0a h ASN 95 CO 0.25 1.01 0.00 -2.11 -1.65 0.00 0.00 177.43 174.93 2k0a n ARG 96 N -4.27 3.91 -2.57 0.81 -4.01 -1.26 -4.81 116.66 104.46 2k0a n ARG 96 Ca 0.02 0.00 -0.17 0.00 -1.04 0.00 0.00 57.85 56.66 2k0a n ARG 96 Cb 0.32 0.00 0.01 0.00 -3.04 0.00 0.00 32.46 29.75 2k0a n ARG 96 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 2k0a n LEU 97 N 0.00 -2.08 0.01 2.89 4.77 -1.26 -4.90 117.00 116.43 2k0a n LEU 97 Ca 0.00 -0.12 -0.08 0.00 -0.03 0.00 0.00 56.01 55.78 2k0a n LEU 97 Cb 0.00 -2.41 -0.13 0.00 -2.33 0.00 0.00 43.42 38.55 2k0a n LEU 97 CO 0.00 0.00 -0.30 -2.24 -1.33 0.00 0.00 177.39 173.53 2k0a h ASP 98 N -0.53 0.01 -2.71 -1.43 3.04 -1.91 -3.46 116.42 109.44 2k0a h ASP 98 Ca -0.40 -0.02 -0.54 0.00 -3.24 0.00 0.00 57.03 52.83 2k0a h ASP 98 Cb 1.29 -0.00 0.01 0.00 -1.04 0.00 0.00 39.33 39.58 2k0a h ASP 98 CO 0.45 1.02 0.99 0.00 -2.04 0.00 0.00 179.24 179.66 2k0a s ARG 99 N -2.64 4.21 -1.32 4.15 1.70 -1.26 -4.90 118.95 118.89 2k0a s ARG 99 Ca -0.03 2.21 -0.17 0.00 -0.47 0.00 0.00 55.73 57.26 2k0a s ARG 99 Cb 0.09 -3.72 0.04 0.00 -0.57 0.00 0.00 34.95 30.78 2k0a s ARG 99 CO 0.82 -0.74 1.90 0.72 -1.08 0.00 0.00 175.30 176.93 2k0a n HIS 100 N 6.07 4.12 -0.64 5.89 8.25 -1.26 -4.81 115.22 132.84 2k0a n HIS 100 Ca 0.16 -2.76 -0.05 0.00 -0.26 0.00 0.00 57.72 54.81 2k0a n HIS 100 Cb 0.42 -2.58 -0.07 0.00 1.12 0.00 0.00 29.99 28.87 2k0a n HIS 100 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 2k0a n PHE 101 N 8.08 0.00 -0.11 4.41 1.16 -1.26 -4.36 117.46 125.37 2k0a n PHE 101 Ca 0.50 -1.05 -0.07 0.00 -1.87 0.00 0.00 57.45 54.95 2k0a n PHE 101 Cb 0.44 -0.95 0.09 0.00 -1.61 0.00 0.00 39.48 37.45 2k0a n PHE 101 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 2k0a h GLU 102 N 2.55 0.83 -6.70 3.97 4.81 -1.87 -3.17 114.58 115.01 2k0a h GLU 102 Ca 0.08 -0.30 -0.56 0.00 -0.13 0.00 0.00 59.36 58.46 2k0a h GLU 102 Cb 1.06 -0.06 0.09 0.00 0.63 0.00 0.00 28.75 30.47 2k0a h GLU 102 CO 0.14 0.92 0.69 0.36 -0.73 0.00 0.00 179.01 180.40 2k0a n LYS 103 N -4.15 2.31 0.00 1.92 -0.00 -1.26 -3.65 118.16 113.33 2k0a n LYS 103 Ca 0.01 0.82 0.00 0.00 -0.00 0.00 0.00 58.31 59.14 2k0a n LYS 103 Cb 0.39 -2.51 0.00 0.00 -0.00 0.00 0.00 35.03 32.91 2k0a n LYS 103 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2k0a n LYS 104 N 1.72 0.00 -3.28 -1.58 5.02 -1.26 -4.50 118.16 114.28 2k0a n LYS 104 Ca 0.09 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.41 2k0a n LYS 104 Cb 0.34 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.33 2k0a n LYS 104 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2k0a s LYS 105 N 0.00 0.27 0.11 1.97 2.20 -1.24 -5.05 119.74 118.01 2k0a s LYS 105 Ca 0.00 0.60 0.02 0.00 -0.36 0.00 0.00 55.97 56.23 2k0a s LYS 105 Cb 0.00 0.35 -0.20 0.00 -1.51 0.00 0.00 37.83 36.47 2k0a s LYS 105 CO 0.00 -0.18 1.25 1.57 -0.36 0.00 0.00 175.35 177.62 2k0a h LYS 106 N 7.71 0.13 0.00 4.03 -0.00 -1.70 -3.45 116.57 123.30 2k0a h LYS 106 Ca -0.16 -0.21 0.00 0.00 -0.00 0.00 0.00 60.65 60.28 2k0a h LYS 106 Cb 1.14 0.08 0.00 0.00 -0.00 0.00 0.00 32.23 33.45 2k0a h LYS 106 CO 0.04 1.07 0.00 1.33 -0.00 0.00 0.00 179.45 181.89