#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0a s GLY 0 N 0.00 -0.27 -1.39 -0.02 0.00 -1.26 -4.94 107.32 99.43 2k0a s GLY 0 Ca 0.00 2.57 -0.10 0.00 0.00 0.00 0.00 44.72 47.19 2k0a s GLY 0 CO 0.00 1.99 1.15 1.44 0.00 0.00 0.00 173.10 177.68 2k0a n SER 1 N 2.77 -6.04 -0.02 1.64 7.64 -1.26 -4.89 113.62 113.46 2k0a n SER 1 Ca -0.15 -0.59 -0.04 0.00 1.01 0.00 0.00 58.87 59.10 2k0a n SER 1 Cb 0.56 -4.81 -0.13 0.00 -1.01 0.00 0.00 64.21 58.83 2k0a n SER 1 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k0a n SER 2 N -2.98 0.60 -0.79 6.43 7.64 -1.26 -5.09 113.62 118.16 2k0a n SER 2 Ca 0.01 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.17 2k0a n SER 2 Cb 0.55 0.42 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 2k0a n SER 2 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k0a n ARG 3 N -2.86 -2.27 0.00 1.43 1.74 -1.26 -5.07 116.66 108.37 2k0a n ARG 3 Ca -0.17 1.69 0.00 0.00 -0.77 0.00 0.00 57.85 58.60 2k0a n ARG 3 Cb 0.96 -1.90 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 2k0a n ARG 3 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 2k0a n HIS 4 N -0.92 -0.07 -3.85 -1.55 1.44 -1.26 -5.15 115.22 103.86 2k0a n HIS 4 Ca 0.00 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.64 2k0a n HIS 4 Cb 0.00 0.01 -0.02 0.00 0.12 0.00 0.00 29.99 30.11 2k0a n HIS 4 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 2k0a s GLN 5 N -1.23 1.74 0.56 -1.40 -0.21 -1.26 -5.00 119.66 112.86 2k0a s GLN 5 Ca 0.00 -0.97 0.34 0.00 0.02 0.00 0.00 55.36 54.75 2k0a s GLN 5 Cb 0.00 0.59 1.50 0.00 1.00 0.00 0.00 33.01 36.10 2k0a s GLN 5 CO 0.00 -0.80 2.04 0.35 -2.12 0.00 0.00 175.29 174.76 2k0a h PHE 6 N 2.00 0.00 -3.88 0.91 3.57 -2.01 -3.47 116.94 114.06 2k0a h PHE 6 Ca -0.20 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.30 2k0a h PHE 6 Cb 1.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.99 2k0a h PHE 6 CO 0.46 0.03 -0.08 -0.25 -2.23 0.00 0.00 178.31 176.23 2k0a n ASP 7 N -3.16 -4.21 -4.68 0.41 8.00 -1.26 -4.97 116.55 106.68 2k0a n ASP 7 Ca -0.00 0.07 -0.42 0.00 0.71 0.00 0.00 54.79 55.15 2k0a n ASP 7 Cb 0.27 -2.64 -0.03 0.00 -0.02 0.00 0.00 41.12 38.71 2k0a n ASP 7 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2k0a s LEU 8 N -2.25 4.26 -0.29 0.64 2.01 -1.26 -4.84 118.68 116.95 2k0a s LEU 8 Ca 0.04 1.81 0.05 0.00 0.01 0.00 0.00 54.13 56.05 2k0a s LEU 8 Cb -0.01 -3.55 0.20 0.00 0.01 0.00 0.00 46.19 42.84 2k0a s LEU 8 CO 0.29 -0.64 1.14 2.30 1.01 0.00 0.00 176.35 180.44 2k0a n ILE 9 N 4.79 0.00 -1.94 -0.59 -6.64 -1.26 -4.98 119.36 108.73 2k0a n ILE 9 Ca 0.12 -0.84 -0.42 0.00 -1.77 0.00 0.00 62.75 59.84 2k0a n ILE 9 Cb 0.46 0.76 -0.03 0.00 -1.44 0.00 0.00 39.64 39.39 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 0.09 4.22 0.30 6.28 1.00 -1.25 -3.50 119.30 126.44 2k0a s MET 10 Ca 0.09 2.36 0.01 0.00 0.00 0.00 0.00 55.69 58.15 2k0a s MET 10 Cb 0.21 -3.13 0.70 0.00 0.00 0.00 0.00 34.83 32.62 2k0a s MET 10 CO -0.05 -0.55 1.59 0.00 0.00 0.00 0.00 175.02 176.01 2k0a n LEU 12 N -5.43 -1.27 0.00 0.00 4.32 0.13 -4.80 117.00 109.96 2k0a n LEU 12 Ca 0.22 -1.20 0.00 0.00 -0.02 0.00 0.00 56.01 55.01 2k0a n LEU 12 Cb 0.71 -1.80 0.00 0.00 -1.62 0.00 0.00 43.42 40.71 2k0a n LEU 12 CO -0.03 0.52 0.00 0.29 -1.22 0.00 0.00 177.39 176.95 2k0a n LYS 13 N -4.60 3.53 -3.14 3.23 5.02 -1.26 -4.48 118.16 116.46 2k0a n LYS 13 Ca -0.28 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.60 2k0a n LYS 13 Cb 0.67 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.61 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 3.45 3.59 0.17 1.97 1.11 -1.26 -3.58 119.66 125.11 2k0a s GLN 14 Ca 0.00 -0.08 -0.33 0.00 0.01 0.00 0.00 55.36 54.96 2k0a s GLN 14 Cb 0.00 -3.84 -0.13 0.00 -1.01 0.00 0.00 33.01 28.04 2k0a s GLN 14 CO 0.00 -0.77 1.68 -2.30 0.01 0.00 0.00 175.29 173.91 2k0a n PRO 15 N 6.02 2.48 0.00 2.91 -0.02 -1.26 -1.99 135.00 143.13 2k0a n PRO 15 Ca -0.02 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 2k0a n PRO 15 Cb 0.48 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 2k0a n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k0a n GLY 16 N 3.77 0.76 0.04 -1.23 0.00 0.91 -4.58 105.19 104.86 2k0a n GLY 16 Ca 0.17 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 2k0a n GLY 16 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2k0a n VAL 17 N 0.00 0.54 -1.85 1.61 3.14 -1.26 -4.84 118.33 115.67 2k0a n VAL 17 Ca 0.00 -0.25 -0.42 0.00 -2.96 0.00 0.00 64.34 60.71 2k0a n VAL 17 Cb 0.00 -0.83 -0.03 0.00 -1.06 0.00 0.00 33.84 31.92 2k0a n VAL 17 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 2k0a s GLN 18 N -2.19 4.17 0.07 1.45 -0.21 -1.26 -4.86 119.66 116.84 2k0a s GLN 18 Ca -0.10 2.43 -0.30 0.00 0.02 0.00 0.00 55.36 57.41 2k0a s GLN 18 Cb 0.03 -3.57 -0.06 0.00 1.00 0.00 0.00 33.01 30.41 2k0a s GLN 18 CO 0.25 -0.77 1.17 0.99 -2.12 0.00 0.00 175.29 174.81 2k0a s THR 19 N 2.59 4.07 0.12 -0.19 2.01 -1.26 -0.68 115.64 122.29 2k0a s THR 19 Ca 0.76 1.53 -0.31 0.00 0.31 0.00 0.00 61.69 63.98 2k0a s THR 19 Cb -0.42 -3.98 -0.08 0.00 0.01 0.00 0.00 72.50 68.03 2k0a s THR 19 CO 0.34 0.14 1.43 -0.83 -0.69 0.00 0.00 174.62 175.01 2k0a s GLY 20 N 0.87 1.87 -0.02 4.40 0.00 0.14 -4.77 107.32 109.82 2k0a s GLY 20 Ca 0.57 1.16 -0.02 0.00 0.00 0.00 0.00 44.72 46.43 2k0a s GLY 20 CO 0.30 2.43 0.13 1.08 0.00 0.00 0.00 173.10 177.04 2k0a s LEU 21 N 1.21 4.14 0.01 0.66 1.43 -1.26 -0.24 118.68 124.64 2k0a s LEU 21 Ca 0.66 0.26 0.05 0.00 -1.03 0.00 0.00 54.13 54.07 2k0a s LEU 21 Cb -0.38 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 2k0a s LEU 21 CO 0.30 0.28 -0.12 -0.76 0.23 0.00 0.00 176.35 176.28 2k0a s LEU 22 N -1.77 2.90 0.54 1.79 1.43 0.26 -1.09 118.68 122.74 2k0a s LEU 22 Ca 0.24 -0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 52.92 2k0a s LEU 22 Cb -0.12 -1.67 -0.07 0.00 0.03 0.00 0.00 46.19 44.36 2k0a s LEU 22 CO 0.15 0.28 1.01 0.00 0.23 0.00 0.00 176.35 178.02 2k0a h GLU 24 N 0.77 0.00 0.00 0.00 5.08 -1.90 0.10 114.58 118.63 2k0a h GLU 24 Ca -0.47 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.85 2k0a h GLU 24 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2k0a h GLU 24 CO 0.60 0.00 -0.19 0.87 -1.00 0.00 0.00 179.01 179.29 2k0a h LYS 25 N 0.00 0.00 -0.17 2.33 1.79 -1.96 -2.31 116.57 116.25 2k0a h LYS 25 Ca 0.08 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.49 2k0a h LYS 25 Cb 0.40 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.01 2k0a h LYS 25 CO -0.00 0.19 -0.13 0.00 -1.08 0.00 0.00 179.45 178.43 2k0a s ASP 27 N -2.64 7.02 0.00 0.00 2.15 -0.63 -3.03 116.67 119.55 2k0a s ASP 27 Ca 0.40 2.15 0.00 0.00 0.43 0.00 0.00 52.55 55.53 2k0a s ASP 27 Cb 0.35 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.39 2k0a s ASP 27 CO 0.01 -0.49 0.00 0.61 -0.17 0.00 0.00 175.17 175.13 2k0a n GLY 28 N 3.01 0.43 3.45 2.66 0.00 -1.26 -5.05 105.19 108.43 2k0a n GLY 28 Ca 0.08 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.11 3.38 -0.15 1.61 1.02 -1.17 -4.21 119.74 118.11 2k0a s LYS 29 Ca 0.00 -0.61 -0.29 0.00 0.02 0.00 0.00 55.97 55.09 2k0a s LYS 29 Cb 0.00 -2.72 -0.03 0.00 -0.52 0.00 0.00 37.83 34.56 2k0a s LYS 29 CO 0.00 0.30 1.42 0.00 -0.92 0.00 0.00 175.35 176.14 2k0a h PRO 31 N 8.92 0.95 0.54 0.00 0.13 -1.92 0.56 132.00 141.19 2k0a h PRO 31 Ca -0.31 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.74 2k0a h PRO 31 Cb 1.13 -0.21 0.01 0.00 0.13 0.00 0.00 31.00 32.05 2k0a h PRO 31 CO 0.97 0.63 -0.26 0.82 -0.23 0.00 0.00 178.00 179.93 2k0a h ILE 32 N 0.98 0.38 0.00 -3.56 1.08 -1.91 -3.37 117.51 111.11 2k0a h ILE 32 Ca 0.38 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.54 2k0a h ILE 32 Cb 0.23 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 34.47 2k0a h ILE 32 CO -0.15 0.04 -1.94 0.00 -0.69 0.00 0.00 178.15 175.42 2k0a n ASP 34 N -2.21 -5.44 -3.63 0.00 2.03 0.19 -5.05 116.55 102.44 2k0a n ASP 34 Ca -0.04 0.59 -0.05 0.00 0.52 0.00 0.00 54.79 55.80 2k0a n ASP 34 Cb 0.54 -3.50 -0.06 0.00 -0.72 0.00 0.00 41.12 37.38 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 -1.39 -0.19 -0.11 1.67 0.15 -1.25 -4.94 113.70 107.63 2k0a s SER 35 Ca 0.07 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.00 2k0a s SER 35 Cb -0.02 0.26 0.13 0.00 -1.71 0.00 0.00 66.02 64.68 2k0a s SER 35 CO 0.45 -0.12 1.47 -1.22 1.20 0.00 0.00 173.24 175.02 2k0a n TYR 36 N 1.16 0.68 -1.96 3.44 4.02 -1.26 -1.85 117.16 121.39 2k0a n TYR 36 Ca -0.07 -1.01 -0.31 0.00 -0.01 0.00 0.00 57.90 56.49 2k0a n TYR 36 Cb 0.58 -0.51 0.01 0.00 -0.02 0.00 0.00 39.34 39.40 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 -0.83 4.47 -0.01 -0.72 0.11 -1.26 -4.95 120.40 117.21 2k0a s VAL 37 Ca 0.13 0.92 -0.37 0.00 -2.93 0.00 0.00 61.98 59.73 2k0a s VAL 37 Cb 0.11 -3.71 -0.15 0.00 -1.53 0.00 0.00 36.38 31.10 2k0a s VAL 37 CO 0.02 -0.93 1.58 -1.14 -3.33 0.00 0.00 175.10 171.29 2k0a n ARG 38 N -2.48 1.54 0.00 1.54 0.63 -1.26 -4.83 116.66 111.80 2k0a n ARG 38 Ca 0.07 0.56 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 2k0a n ARG 38 Cb 0.54 -2.27 0.00 0.00 0.45 0.00 0.00 32.46 31.18 2k0a n ARG 38 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 2k0a n PRO 39 N 4.07 -0.29 0.00 -0.14 -0.02 -1.26 -1.08 135.00 136.27 2k0a n PRO 39 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2k0a n PRO 39 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.69 2k0a n PRO 39 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2k0a n LYS 40 N -0.98 0.00 -3.83 -0.52 3.00 0.18 -3.31 118.16 112.70 2k0a n LYS 40 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 2k0a n LYS 40 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 34.90 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 -1.66 0.16 0.30 1.64 6.06 -1.02 -4.99 118.95 119.43 2k0a s ARG 41 Ca 0.00 0.17 -0.30 0.00 -2.50 0.00 0.00 55.73 53.10 2k0a s ARG 41 Cb 0.00 0.08 -0.11 0.00 0.06 0.00 0.00 34.95 34.98 2k0a s ARG 41 CO 0.00 -0.02 1.52 0.15 -2.50 0.00 0.00 175.30 174.45 2k0a s LYS 42 N 0.04 4.17 0.09 5.12 1.02 -1.26 0.38 119.74 129.29 2k0a s LYS 42 Ca -0.00 2.49 -0.30 0.00 0.02 0.00 0.00 55.97 58.18 2k0a s LYS 42 Cb -0.01 -3.04 -0.06 0.00 -0.52 0.00 0.00 37.83 34.21 2k0a s LYS 42 CO 0.00 -0.54 1.12 0.08 -0.92 0.00 0.00 175.35 175.09 2k0a s VAL 43 N -0.27 4.15 -0.10 3.17 1.01 0.15 -4.74 120.40 123.77 2k0a s VAL 43 Ca 0.60 1.64 0.03 0.00 0.00 0.00 0.00 61.98 64.25 2k0a s VAL 43 Cb -0.46 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 31.88 2k0a s VAL 43 CO 0.50 0.18 -0.22 -0.13 0.00 0.00 0.00 175.10 175.43 2k0a s ARG 44 N 0.58 2.86 0.51 2.72 0.52 -1.26 0.23 118.95 125.10 2k0a s ARG 44 Ca 0.54 -0.81 -0.19 0.00 -0.52 0.00 0.00 55.73 54.75 2k0a s ARG 44 Cb -0.28 -2.21 -0.07 0.00 0.52 0.00 0.00 34.95 32.91 2k0a s ARG 44 CO 0.31 0.11 1.04 0.14 0.02 0.00 0.00 175.30 176.92 2k0a s VAL 45 N 0.51 3.85 0.75 3.52 -7.23 0.14 -4.47 120.40 117.47 2k0a s VAL 45 Ca -0.15 1.08 -0.15 0.00 -1.81 0.00 0.00 61.98 60.94 2k0a s VAL 45 Cb -0.17 -3.45 0.05 0.00 0.56 0.00 0.00 36.38 33.36 2k0a s VAL 45 CO 0.06 -0.32 1.22 0.00 -0.31 0.00 0.00 175.10 175.74 2k0a h GLU 47 N -0.39 0.70 -0.92 0.00 4.81 -1.65 -0.97 114.58 116.16 2k0a h GLU 47 Ca -0.48 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 58.77 2k0a h GLU 47 Cb 1.31 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 30.48 2k0a h GLU 47 CO 0.48 0.46 0.59 -0.91 -0.73 0.00 0.00 179.01 178.90 2k0a h ASN 48 N 0.72 0.94 0.74 1.04 4.21 -1.90 -0.52 115.58 120.81 2k0a h ASN 48 Ca 0.42 0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.85 2k0a h ASN 48 Cb 0.60 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.60 2k0a h ASN 48 CO -0.18 0.61 -0.40 0.00 -1.29 0.00 0.00 177.43 176.17 2k0a h SER 50 N 0.00 0.85 0.44 0.00 4.64 -0.72 -3.10 113.55 115.67 2k0a h SER 50 Ca -0.00 -0.75 -0.30 0.00 -0.47 0.00 0.00 61.79 60.26 2k0a h SER 50 Cb 0.88 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 62.65 2k0a h SER 50 CO 0.05 1.55 -1.76 2.22 -0.87 0.00 0.00 176.83 178.03 2k0a n PHE 51 N -3.80 1.01 -0.57 4.77 1.16 -0.82 -4.14 117.46 115.08 2k0a n PHE 51 Ca -0.12 0.34 -0.17 0.00 -1.87 0.00 0.00 57.45 55.63 2k0a n PHE 51 Cb 0.95 -1.18 0.12 0.00 -1.61 0.00 0.00 39.48 37.76 2k0a n PHE 51 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2k0a n GLY 52 N 1.61 3.78 2.39 4.97 0.00 0.30 -5.03 105.19 113.22 2k0a n GLY 52 Ca -0.19 -0.79 0.16 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.63 -2.33 -2.99 1.61 4.01 -1.17 -4.88 118.16 111.78 2k0a n LYS 53 Ca 0.42 1.54 -0.13 0.00 -0.51 0.00 0.00 58.31 59.63 2k0a n LYS 53 Cb 1.29 -2.84 0.06 0.00 -0.51 0.00 0.00 35.03 33.03 2k0a n LYS 53 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 2k0a n GLN 54 N -3.76 -2.91 0.00 1.97 3.00 -1.26 -4.52 117.38 109.90 2k0a n GLN 54 Ca 0.01 0.70 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 2k0a n GLN 54 Cb 0.53 -5.09 0.00 0.00 0.00 0.00 0.00 30.24 25.68 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 -3.10 1.13 0.11 -1.58 0.00 -1.25 -4.83 120.51 110.98 2k0a n ALA 55 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.14 2k0a n ALA 55 Cb 0.61 0.02 -0.13 0.00 0.00 0.00 0.00 19.45 19.95 2k0a n ALA 55 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2k0a h LYS 56 N 0.00 0.43 -6.98 0.00 6.56 -1.91 -3.35 116.57 111.33 2k0a h LYS 56 Ca 0.00 -0.64 -0.54 0.00 -1.06 0.00 0.00 60.65 58.41 2k0a h LYS 56 Cb 0.07 0.23 0.11 0.00 -0.57 0.00 0.00 32.23 32.06 2k0a h LYS 56 CO 0.00 1.29 0.68 0.54 -2.06 0.00 0.00 179.45 179.89 2k0a s ASN 57 N -7.30 6.02 -0.40 0.86 2.20 -1.26 0.01 114.94 115.07 2k0a s ASN 57 Ca -0.06 2.84 -0.39 0.00 -0.94 0.00 0.00 52.86 54.31 2k0a s ASN 57 Cb 0.06 -2.65 -0.15 0.00 -2.00 0.00 0.00 41.25 36.52 2k0a s ASN 57 CO 0.91 -1.07 2.12 0.00 -2.94 0.00 0.00 177.10 176.12 2k0a h ILE 59 N 6.86 0.61 0.03 0.00 3.07 -1.41 0.79 117.51 127.47 2k0a h ILE 59 Ca -0.23 -0.05 -0.20 0.00 1.55 0.00 0.00 64.86 65.93 2k0a h ILE 59 Cb 1.36 1.03 0.02 0.00 -0.27 0.00 0.00 36.82 38.96 2k0a h ILE 59 CO 1.04 0.01 -0.79 0.40 -1.05 0.00 0.00 178.15 177.76 2k0a h ILE 60 N 0.00 1.39 -0.06 0.16 2.04 -1.82 -1.06 117.51 118.17 2k0a h ILE 60 Ca -0.00 -2.22 0.00 0.00 1.00 0.00 0.00 64.86 63.64 2k0a h ILE 60 Cb 0.03 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 2k0a h ILE 60 CO 0.00 0.65 0.00 0.00 0.00 0.00 0.00 178.15 178.81 2k0a n ASN 62 N -0.05 -0.80 0.17 0.00 6.94 0.27 -4.62 115.26 117.17 2k0a n ASN 62 Ca 0.03 -1.17 0.00 0.00 -0.02 0.00 0.00 54.58 53.41 2k0a n ASN 62 Cb 0.20 -1.49 0.00 0.00 -2.36 0.00 0.00 39.78 36.14 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 -4.00 -1.78 -0.86 -4.53 -0.00 -1.26 -4.94 117.00 99.63 2k0a n LEU 63 Ca -0.03 0.61 0.03 0.00 -0.00 0.00 0.00 56.01 56.61 2k0a n LEU 63 Cb 0.50 1.80 0.13 0.00 -0.00 0.00 0.00 43.42 45.85 2k0a n LEU 63 CO 0.87 -0.32 0.49 0.59 -0.00 0.00 0.00 177.39 179.01 2k0a n ASN 64 N -3.36 2.34 -1.78 1.96 5.03 -1.26 -4.88 115.26 113.31 2k0a n ASN 64 Ca 0.00 -2.25 0.00 0.00 0.87 0.00 0.00 54.58 53.20 2k0a n ASN 64 Cb 0.00 -0.48 0.00 0.00 -1.02 0.00 0.00 39.78 38.28 2k0a n ASN 64 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2k0a n VAL 65 N 0.22 -5.72 -2.10 2.41 0.31 -1.26 -4.78 118.33 107.42 2k0a n VAL 65 Ca 0.09 2.63 -0.29 0.00 -0.01 0.00 0.00 64.34 66.76 2k0a n VAL 65 Cb 0.49 -3.57 0.02 0.00 -0.91 0.00 0.00 33.84 29.87 2k0a n VAL 65 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2k0a s GLY 66 N -3.24 1.61 0.00 2.92 0.00 0.10 -3.60 107.32 105.11 2k0a s GLY 66 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.37 2k0a s GLY 66 CO 0.00 -0.06 0.00 1.55 0.00 0.00 0.00 173.10 174.59 2k0a n VAL 67 N -2.72 0.00 -4.20 1.40 3.14 0.15 -4.82 118.33 111.29 2k0a n VAL 67 Ca 0.05 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.09 2k0a n VAL 67 Cb 0.56 -0.12 -0.10 0.00 -1.06 0.00 0.00 33.84 33.11 2k0a n VAL 67 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2k0a s ASN 68 N -2.72 5.29 0.27 6.55 0.01 -0.67 -4.85 114.94 118.82 2k0a s ASN 68 Ca 0.00 0.02 -0.31 0.00 -0.71 0.00 0.00 52.86 51.86 2k0a s ASN 68 Cb 0.00 -1.84 -0.12 0.00 0.41 0.00 0.00 41.25 39.70 2k0a s ASN 68 CO 0.00 0.20 1.65 -1.81 -1.51 0.00 0.00 177.10 175.64 2k0a s ASP 69 N 0.18 6.35 0.50 -1.22 1.01 -1.26 0.93 116.67 123.16 2k0a s ASP 69 Ca 0.02 2.95 -0.20 0.00 0.71 0.00 0.00 52.55 56.03 2k0a s ASP 69 Cb -0.13 -2.62 -0.08 0.00 1.01 0.00 0.00 42.92 41.10 2k0a s ASP 69 CO 0.01 -0.95 1.05 0.00 0.21 0.00 0.00 175.17 175.49 2k0a s ALA 70 N 0.41 2.83 -0.06 5.23 0.00 0.67 -4.80 121.76 126.05 2k0a s ALA 70 Ca 0.68 0.61 0.03 0.00 0.00 0.00 0.00 51.96 53.28 2k0a s ALA 70 Cb -0.49 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.37 2k0a s ALA 70 CO 0.43 -0.42 -0.13 -0.06 0.00 0.00 0.00 175.76 175.58 2k0a s PHE 71 N -2.00 1.44 0.08 0.00 0.40 -1.26 0.31 117.98 116.95 2k0a s PHE 71 Ca 0.68 -0.49 -0.31 0.00 -0.60 0.00 0.00 56.93 56.21 2k0a s PHE 71 Cb -0.17 -1.03 -0.08 0.00 0.51 0.00 0.00 43.02 42.25 2k0a s PHE 71 CO 0.23 -0.23 1.47 0.71 0.70 0.00 0.00 175.22 178.10 2k0a s TYR 72 N 0.46 2.96 0.69 0.36 2.02 0.16 -4.49 117.35 119.51 2k0a s TYR 72 Ca -0.11 0.75 -0.12 0.00 -0.37 0.00 0.00 57.07 57.22 2k0a s TYR 72 Cb -0.14 -3.77 0.01 0.00 -0.40 0.00 0.00 41.96 37.66 2k0a s TYR 72 CO 0.03 -2.84 1.07 0.00 -1.57 0.00 0.00 175.55 172.24 2k0a h TRP 74 N -0.54 0.27 -0.56 0.00 -0.00 -1.10 -0.13 115.95 113.88 2k0a h TRP 74 Ca -0.44 0.04 0.01 0.00 -0.00 0.00 0.00 58.89 58.49 2k0a h TRP 74 Cb 1.22 -0.02 -0.03 0.00 -0.00 0.00 0.00 29.16 30.33 2k0a h TRP 74 CO 0.60 -0.02 0.37 0.93 -0.00 0.00 0.00 178.44 180.32 2k0a h GLU 75 N 0.30 0.72 -0.47 2.65 4.39 -1.92 0.68 114.58 120.93 2k0a h GLU 75 Ca 0.35 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.96 2k0a h GLU 75 Cb 0.53 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 2k0a h GLU 75 CO -0.42 0.48 0.11 0.00 -1.16 0.00 0.00 179.01 178.01 2k0a h ARG 78 N 0.51 0.02 0.01 0.00 2.43 0.71 -3.15 114.38 114.91 2k0a h ARG 78 Ca 0.11 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 2k0a h ARG 78 Cb 0.36 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2k0a h ARG 78 CO 0.01 0.01 -0.33 -0.07 -1.51 0.00 0.00 179.97 178.08 2k0a h LEU 79 N 0.02 0.27 0.00 3.80 -0.00 -1.34 -3.48 115.31 114.58 2k0a h LEU 79 Ca 0.04 -0.81 0.00 0.00 -0.00 0.00 0.00 57.88 57.12 2k0a h LEU 79 Cb 0.06 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 2k0a h LEU 79 CO -0.09 1.05 0.00 0.61 -0.00 0.00 0.00 178.44 180.01 2k0a n GLY 80 N 1.15 0.49 0.19 0.83 0.00 0.11 -5.03 105.19 102.93 2k0a n GLY 80 Ca -0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.99 2k0a n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k0a h LYS 81 N 0.00 0.00 -0.43 1.61 1.79 -0.63 -2.07 116.57 116.84 2k0a h LYS 81 Ca 0.00 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 2k0a h LYS 81 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 2k0a h LYS 81 CO 0.00 0.30 -0.09 0.38 -1.08 0.00 0.00 179.45 178.96 2k0a h ASP 82 N 0.00 0.83 1.10 0.86 2.03 -1.87 -2.84 116.42 116.52 2k0a h ASP 82 Ca -0.00 -0.35 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 2k0a h ASP 82 Cb 1.04 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 39.31 2k0a h ASP 82 CO 0.04 0.99 -0.42 0.07 -1.03 0.00 0.00 179.24 178.89 2k0a h LYS 83 N 0.65 0.00 -0.08 4.15 2.10 -1.92 -3.36 116.57 118.11 2k0a h LYS 83 Ca 0.11 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.79 2k0a h LYS 83 Cb 0.62 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.92 2k0a h LYS 83 CO 0.04 0.00 -0.10 0.22 -2.00 0.00 0.00 179.45 177.61 2k0a h ASP 84 N 0.00 -0.30 0.00 7.07 3.58 -1.11 -3.48 116.42 122.18 2k0a h ASP 84 Ca 0.00 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2k0a h ASP 84 Cb 0.76 0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.96 2k0a h ASP 84 CO 0.00 -0.13 0.00 0.61 -2.88 0.00 0.00 179.24 176.84 2k0a n GLY 85 N -1.23 -0.59 3.62 -0.78 0.00 -1.24 -4.80 105.19 100.17 2k0a n GLY 85 Ca -0.04 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 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 7.70 1.52 -3.13 0.00 -0.04 -1.26 0.17 135.00 139.96 2k0a n PRO 87 Ca 0.17 -0.68 -0.39 0.00 -0.04 0.00 0.00 63.50 62.56 2k0a n PRO 87 Cb 0.46 -1.48 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 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 -0.04 4.40 -0.33 0.54 1.81 -1.26 -4.59 118.95 119.47 2k0a s ARG 88 Ca 0.29 0.78 -0.19 0.00 -1.72 0.00 0.00 55.73 54.89 2k0a s ARG 88 Cb 0.16 -3.42 -0.01 0.00 -0.45 0.00 0.00 34.95 31.24 2k0a s ARG 88 CO -0.02 0.16 0.58 0.42 -0.68 0.00 0.00 175.30 175.76 2k0a s ILE 89 N 0.52 4.96 -0.33 1.52 -1.09 -0.40 -1.13 121.20 125.25 2k0a s ILE 89 Ca 0.34 0.58 0.17 0.00 -2.23 0.00 0.00 60.65 59.51 2k0a s ILE 89 Cb -0.17 -3.99 0.45 0.00 -1.58 0.00 0.00 42.46 37.16 2k0a s ILE 89 CO 0.17 -0.20 0.95 0.00 -1.23 0.00 0.00 174.94 174.62 2k0a n LEU 90 N 5.85 1.29 0.00 2.97 -0.00 -1.23 -4.59 117.00 121.30 2k0a n LEU 90 Ca -0.03 -3.80 0.00 0.00 -0.00 0.00 0.00 56.01 52.18 2k0a n LEU 90 Cb 0.49 0.44 0.00 0.00 -0.00 0.00 0.00 43.42 44.35 2k0a n LEU 90 CO 0.46 1.63 0.00 -0.46 -0.00 0.00 0.00 177.39 179.02 2k0a n ASN 91 N -0.05 0.00 -0.24 1.45 0.23 -1.26 -5.03 115.26 110.36 2k0a n ASN 91 Ca 0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.15 2k0a n ASN 91 Cb 0.81 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.51 2k0a n ASN 91 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k0a n LEU 92 N 0.00 0.00 -0.27 -4.53 -0.00 -1.26 -5.13 117.00 105.80 2k0a n LEU 92 Ca 0.00 -0.73 0.00 0.00 -0.00 0.00 0.00 56.01 55.28 2k0a n LEU 92 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2k0a n LEU 92 CO 0.00 0.71 -0.08 0.61 -0.00 0.00 0.00 177.39 178.64 2k0a n GLY 93 N 0.00 -3.36 3.29 1.47 0.00 -1.26 -4.95 105.19 100.37 2k0a n GLY 93 Ca 0.00 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.92 2k0a n GLY 93 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k0a n SER 94 N -0.78 -6.89 -4.74 1.61 3.41 -1.26 -4.91 113.62 100.07 2k0a n SER 94 Ca 0.00 -0.35 -0.42 0.00 -0.26 0.00 0.00 58.87 57.84 2k0a n SER 94 Cb 0.00 -4.20 -0.02 0.00 -0.26 0.00 0.00 64.21 59.72 2k0a n SER 94 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2k0a s ASN 95 N -3.00 6.52 0.00 4.04 0.01 -1.26 -4.92 114.94 116.33 2k0a s ASN 95 Ca 0.00 2.76 0.00 0.00 -0.71 0.00 0.00 52.86 54.92 2k0a s ASN 95 Cb -0.00 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 39.04 2k0a s ASN 95 CO 0.80 -0.84 0.00 -2.11 -1.51 0.00 0.00 177.10 173.44 2k0a n ARG 96 N 2.98 0.00 -2.18 -0.60 -4.01 -1.26 -4.98 116.66 106.60 2k0a n ARG 96 Ca 0.10 0.00 -0.15 0.00 -1.04 0.00 0.00 57.85 56.77 2k0a n ARG 96 Cb 0.38 0.00 -0.01 0.00 -3.04 0.00 0.00 32.46 29.79 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 -1.60 -0.04 2.89 4.77 -1.26 -4.86 117.00 116.89 2k0a n LEU 97 Ca 0.00 0.03 -0.01 0.00 -0.03 0.00 0.00 56.01 56.00 2k0a n LEU 97 Cb 0.00 -2.22 -0.14 0.00 -2.33 0.00 0.00 43.42 38.73 2k0a n LEU 97 CO 0.00 -0.23 -0.80 -0.90 -1.33 0.00 0.00 177.39 174.14 2k0a n ASP 98 N -0.77 0.25 -3.80 -1.43 5.75 -1.26 -4.81 116.55 110.48 2k0a n ASP 98 Ca -0.17 0.11 -0.24 0.00 -0.01 0.00 0.00 54.79 54.48 2k0a n ASP 98 Cb 0.62 1.03 -0.17 0.00 -1.03 0.00 0.00 41.12 41.56 2k0a n ASP 98 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2k0a s ARG 99 N -2.90 0.84 0.00 0.11 1.81 -1.26 -4.91 118.95 112.63 2k0a s ARG 99 Ca -0.07 -0.01 0.00 0.00 -1.72 0.00 0.00 55.73 53.93 2k0a s ARG 99 Cb 0.09 -1.18 0.00 0.00 -0.45 0.00 0.00 34.95 33.41 2k0a s ARG 99 CO 0.85 -0.31 0.00 1.58 -0.68 0.00 0.00 175.30 176.73 2k0a n HIS 100 N 5.09 -0.93 -2.96 -0.53 -0.00 -1.26 -5.08 115.22 109.55 2k0a n HIS 100 Ca -0.08 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.09 2k0a n HIS 100 Cb 0.50 0.19 0.00 0.00 -0.12 0.00 0.00 29.99 30.56 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 -1.89 -2.75 -0.18 1.57 7.35 -1.06 -4.91 117.46 115.58 2k0a n PHE 101 Ca 0.00 1.04 0.02 0.00 -0.76 0.00 0.00 57.45 57.75 2k0a n PHE 101 Cb 0.00 -3.94 0.23 0.00 0.35 0.00 0.00 39.48 36.12 2k0a n PHE 101 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 2k0a n GLU 102 N -1.80 3.22 -3.64 -4.13 0.00 -1.16 -4.88 120.64 108.25 2k0a n GLU 102 Ca -0.00 -1.92 -0.23 0.00 0.00 0.00 0.00 57.16 55.00 2k0a n GLU 102 Cb 0.51 -1.95 0.06 0.00 0.00 0.00 0.00 31.44 30.06 2k0a n GLU 102 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2k0a n LYS 103 N 0.29 -6.68 -0.08 3.44 4.01 -1.26 -4.93 118.16 112.95 2k0a n LYS 103 Ca 0.19 0.75 -0.15 0.00 -0.51 0.00 0.00 58.31 58.60 2k0a n LYS 103 Cb 0.88 -5.69 -0.11 0.00 -0.51 0.00 0.00 35.03 29.59 2k0a n LYS 103 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 2k0a h LYS 104 N -2.26 0.00 -1.02 1.97 3.64 -1.90 -3.43 116.57 113.57 2k0a h LYS 104 Ca -0.58 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.44 2k0a h LYS 104 Cb 1.36 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 32.90 2k0a h LYS 104 CO 0.57 0.88 -0.85 1.63 -2.27 0.00 0.00 179.45 179.41 2k0a n LYS 105 N -4.58 1.02 -2.91 1.90 4.76 -1.26 -4.88 118.16 112.20 2k0a n LYS 105 Ca -0.15 -2.70 -0.21 0.00 -2.87 0.00 0.00 58.31 52.38 2k0a n LYS 105 Cb 0.48 -1.31 0.03 0.00 -1.84 0.00 0.00 35.03 32.39 2k0a n LYS 105 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k0a n LYS 106 N 0.24 -4.32 0.00 1.97 5.02 -1.26 -5.17 118.16 114.64 2k0a n LYS 106 Ca 0.15 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.30 2k0a n LYS 106 Cb 0.70 -5.58 0.00 0.00 -0.02 0.00 0.00 35.03 30.13 2k0a n LYS 106 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43