#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tcx s GLN 2 N 0.00 3.72 -0.09 0.54 0.74 -1.26 -5.10 119.66 118.21 1tcx s GLN 2 Ca 0.00 -0.11 0.03 0.00 0.05 0.00 0.00 55.36 55.34 1tcx s GLN 2 Cb 0.00 -3.27 0.01 0.00 1.10 0.00 0.00 33.01 30.85 1tcx s GLN 2 CO 0.00 0.62 -0.19 0.42 -0.55 0.00 0.00 175.29 175.59 1tcx s ILE 3 N -0.58 1.66 0.42 -2.34 1.01 -1.26 -5.13 121.20 114.98 1tcx s ILE 3 Ca 0.14 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 59.95 1tcx s ILE 3 Cb -0.12 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 1tcx s ILE 3 CO 0.03 0.47 0.71 0.42 0.00 0.00 0.00 174.94 176.57 1tcx s THR 4 N 0.49 4.93 -0.27 2.92 -4.23 -1.26 -5.01 115.64 113.21 1tcx s THR 4 Ca -0.17 0.15 0.12 0.00 -1.18 0.00 0.00 61.69 60.61 1tcx s THR 4 Cb -0.17 -3.82 0.66 0.00 1.34 0.00 0.00 72.50 70.50 1tcx s THR 4 CO 0.06 -0.67 1.64 0.18 -0.54 0.00 0.00 174.62 175.29 1tcx n LEU 5 N -1.83 5.14 -0.03 4.79 4.77 -1.26 -4.35 117.00 124.22 1tcx n LEU 5 Ca -0.00 -3.22 -0.05 0.00 -0.03 0.00 0.00 56.01 52.70 1tcx n LEU 5 Cb 0.55 -0.67 0.15 0.00 -2.33 0.00 0.00 43.42 41.13 1tcx n LEU 5 CO 0.51 0.82 0.72 -0.50 -1.33 0.00 0.00 177.39 177.61 1tcx h TRP 6 N 2.29 0.68 -2.29 -1.77 4.06 -2.06 -3.43 115.95 113.42 1tcx h TRP 6 Ca 0.16 -0.15 -0.60 0.00 2.06 0.00 0.00 58.89 60.36 1tcx h TRP 6 Cb 1.95 -0.17 -0.13 0.00 -1.00 0.00 0.00 29.16 29.82 1tcx h TRP 6 CO 1.00 0.79 -0.73 -0.65 -3.56 0.00 0.00 178.44 175.29 1tcx s GLN 7 N -4.55 1.87 0.36 0.49 1.11 -1.26 -5.11 119.66 112.58 1tcx s GLN 7 Ca -0.08 -1.63 -0.28 0.00 0.01 0.00 0.00 55.36 53.38 1tcx s GLN 7 Cb 0.13 -1.91 -0.11 0.00 -1.01 0.00 0.00 33.01 30.11 1tcx s GLN 7 CO 0.81 0.35 1.49 0.54 0.01 0.00 0.00 175.29 178.49 1tcx n ARG 8 N -0.63 2.65 -2.68 2.91 1.74 -1.26 -4.90 116.66 114.49 1tcx n ARG 8 Ca -0.06 0.93 -0.43 0.00 -0.77 0.00 0.00 57.85 57.51 1tcx n ARG 8 Cb 0.59 -2.66 0.00 0.00 -1.02 0.00 0.00 32.46 29.38 1tcx n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1tcx n PRO 9 N 0.67 3.36 -3.29 5.56 -0.04 -1.26 -4.96 135.00 135.04 1tcx n PRO 9 Ca 0.02 -3.60 -0.38 0.00 -0.04 0.00 0.00 63.50 59.50 1tcx n PRO 9 Cb 0.38 -3.12 -0.06 0.00 -0.04 0.00 0.00 33.50 30.66 1tcx n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1tcx s LEU 10 N 1.77 4.40 0.08 1.53 1.43 -1.26 -0.88 118.68 125.75 1tcx s LEU 10 Ca 0.45 1.05 -0.01 0.00 -1.03 0.00 0.00 54.13 54.59 1tcx s LEU 10 Cb 0.02 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 1tcx s LEU 10 CO 0.01 0.13 0.00 0.68 0.23 0.00 0.00 176.35 177.40 1tcx s VAL 11 N -0.23 0.19 -0.03 -1.59 -7.23 0.71 -4.92 120.40 107.30 1tcx s VAL 11 Ca 0.28 -1.85 -0.18 0.00 -1.81 0.00 0.00 61.98 58.42 1tcx s VAL 11 Cb -0.17 -1.73 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 1tcx s VAL 11 CO 0.15 -0.79 0.50 -0.89 -0.31 0.00 0.00 175.10 173.76 1tcx s THR 12 N -3.96 5.00 0.17 5.32 2.01 -1.26 0.10 115.64 123.02 1tcx s THR 12 Ca 0.14 1.02 0.06 0.00 0.31 0.00 0.00 61.69 63.23 1tcx s THR 12 Cb 0.08 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1tcx s THR 12 CO -0.05 0.46 -0.13 0.27 -0.69 0.00 0.00 174.62 174.48 1tcx s ILE 13 N -0.36 1.50 -0.14 1.82 -4.36 0.67 -3.46 121.20 116.87 1tcx s ILE 13 Ca 0.27 -2.06 0.00 0.00 -0.26 0.00 0.00 60.65 58.60 1tcx s ILE 13 Cb -0.17 -1.88 0.02 0.00 1.25 0.00 0.00 42.46 41.68 1tcx s ILE 13 CO 0.14 -0.59 -0.12 -0.75 0.24 0.00 0.00 174.94 173.86 1tcx s LYS 14 N -3.45 2.09 -0.05 0.37 2.20 -0.85 -0.29 119.74 119.76 1tcx s LYS 14 Ca 0.18 -0.50 -0.02 0.00 -0.36 0.00 0.00 55.97 55.27 1tcx s LYS 14 Cb -0.01 -2.00 0.03 0.00 -1.51 0.00 0.00 37.83 34.34 1tcx s LYS 14 CO 0.04 -0.26 0.04 -1.50 -0.36 0.00 0.00 175.35 173.32 1tcx s ILE 15 N 1.54 0.01 -1.24 5.43 2.07 0.11 -2.58 121.20 126.54 1tcx s ILE 15 Ca 0.05 0.34 -0.06 0.00 -1.41 0.00 0.00 60.65 59.56 1tcx s ILE 15 Cb -0.13 -0.23 -0.01 0.00 0.13 0.00 0.00 42.46 42.22 1tcx s ILE 15 CO -0.10 0.19 0.72 0.61 -1.91 0.00 0.00 174.94 174.45 1tcx n GLY 16 N 5.16 -0.57 4.52 1.50 0.00 -1.26 -0.73 105.19 113.81 1tcx n GLY 16 Ca -0.06 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1tcx n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tcx n GLY 17 N -1.60 1.30 3.76 -0.02 0.00 -1.26 -4.96 105.19 102.41 1tcx n GLY 17 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 1tcx n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tcx s GLN 18 N 0.00 4.69 0.04 1.61 -0.21 0.09 -5.06 119.66 120.82 1tcx s GLN 18 Ca 0.00 1.31 -0.10 0.00 0.02 0.00 0.00 55.36 56.60 1tcx s GLN 18 Cb 0.00 -3.30 -0.05 0.00 1.00 0.00 0.00 33.01 30.66 1tcx s GLN 18 CO 0.00 0.46 0.36 -0.51 -2.12 0.00 0.00 175.29 173.48 1tcx s LEU 19 N -0.85 4.38 0.16 2.90 1.43 -1.26 0.09 118.68 125.52 1tcx s LEU 19 Ca 0.40 0.75 -0.12 0.00 -1.03 0.00 0.00 54.13 54.12 1tcx s LEU 19 Cb -0.24 -2.80 0.01 0.00 0.03 0.00 0.00 46.19 43.19 1tcx s LEU 19 CO 0.28 0.23 0.35 -0.54 0.23 0.00 0.00 176.35 176.90 1tcx s LYS 20 N -1.70 1.17 -0.11 1.70 1.02 0.60 -4.95 119.74 117.46 1tcx s LYS 20 Ca 0.29 -1.01 -0.05 0.00 0.02 0.00 0.00 55.97 55.22 1tcx s LYS 20 Cb -0.14 0.42 -0.04 0.00 -0.52 0.00 0.00 37.83 37.56 1tcx s LYS 20 CO 0.16 -0.45 0.08 -1.21 -0.92 0.00 0.00 175.35 173.01 1tcx s GLU 21 N -3.91 3.32 -0.00 1.68 0.41 -1.26 -0.24 118.70 118.69 1tcx s GLU 21 Ca 0.12 -0.27 -0.04 0.00 -0.41 0.00 0.00 54.97 54.37 1tcx s GLU 21 Cb 0.02 -3.03 -0.00 0.00 -1.78 0.00 0.00 34.13 29.34 1tcx s GLU 21 CO -0.03 0.69 0.08 0.00 -0.49 0.00 0.00 175.26 175.51 1tcx s ALA 22 N -0.81 -0.18 -0.10 5.21 0.00 0.11 -4.49 121.76 121.50 1tcx s ALA 22 Ca 0.13 -0.15 -0.24 0.00 0.00 0.00 0.00 51.96 51.71 1tcx s ALA 22 Cb -0.12 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 1tcx s ALA 22 CO 0.03 -0.15 0.72 -1.17 0.00 0.00 0.00 175.76 175.19 1tcx s LEU 23 N -1.01 4.27 -0.53 0.00 2.96 -0.25 -0.21 118.68 123.90 1tcx s LEU 23 Ca -0.11 1.15 -0.25 0.00 -0.22 0.00 0.00 54.13 54.70 1tcx s LEU 23 Cb -0.06 -3.10 0.04 0.00 0.50 0.00 0.00 46.19 43.56 1tcx s LEU 23 CO 0.00 -0.19 0.99 -0.76 -1.32 0.00 0.00 176.35 175.07 1tcx s LEU 24 N 1.21 3.94 -0.37 -0.68 1.43 -0.06 -1.06 118.68 123.09 1tcx s LEU 24 Ca 0.37 -0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 53.29 1tcx s LEU 24 Cb -0.17 -3.00 0.07 0.00 0.03 0.00 0.00 46.19 43.11 1tcx s LEU 24 CO 0.16 -1.24 0.14 -0.62 0.23 0.00 0.00 176.35 175.03 1tcx s ASP 25 N 2.71 5.30 0.05 2.29 -1.08 -0.57 -4.79 116.67 120.59 1tcx s ASP 25 Ca 0.35 -1.45 0.26 0.00 -0.52 0.00 0.00 52.55 51.18 1tcx s ASP 25 Cb -0.11 -1.86 1.03 0.00 -1.46 0.00 0.00 42.92 40.53 1tcx s ASP 25 CO 0.23 -0.41 1.80 0.35 0.52 0.00 0.00 175.17 177.66 1tcx n THR 26 N 4.75 0.34 1.43 1.71 -2.24 -1.26 -2.28 114.28 116.73 1tcx n THR 26 Ca -0.10 0.01 0.14 0.00 -2.27 0.00 0.00 64.05 61.83 1tcx n THR 26 Cb 0.43 -0.65 0.57 0.00 -2.10 0.00 0.00 70.33 68.59 1tcx n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tcx n GLY 27 N 1.10 -0.73 3.49 3.38 0.00 -1.26 -4.80 105.19 106.37 1tcx n GLY 27 Ca 0.06 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 1tcx n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tcx s ALA 28 N -2.37 3.44 0.17 4.61 0.00 -0.97 -4.99 121.76 121.65 1tcx s ALA 28 Ca 0.31 -1.48 -0.12 0.00 0.00 0.00 0.00 51.96 50.67 1tcx s ALA 28 Cb 0.20 -3.02 0.07 0.00 0.00 0.00 0.00 23.12 20.36 1tcx s ALA 28 CO 0.46 -1.52 1.71 -0.44 0.00 0.00 0.00 175.76 175.97 1tcx h ASP 29 N 8.69 0.82 -1.94 0.00 3.32 -1.87 0.86 116.42 126.30 1tcx h ASP 29 Ca -0.27 -0.19 -0.57 0.00 0.02 0.00 0.00 57.03 56.02 1tcx h ASP 29 Cb 1.11 -0.21 -0.10 0.00 0.22 0.00 0.00 39.33 40.35 1tcx h ASP 29 CO 0.78 0.78 -0.60 -1.81 -1.72 0.00 0.00 179.24 176.67 1tcx s ASP 30 N -6.12 4.34 -0.10 6.45 1.01 -1.26 -2.52 116.67 118.48 1tcx s ASP 30 Ca -0.13 -0.90 -0.17 0.00 0.71 0.00 0.00 52.55 52.06 1tcx s ASP 30 Cb 0.13 -0.61 -0.05 0.00 1.01 0.00 0.00 42.92 43.40 1tcx s ASP 30 CO 0.80 -0.23 0.45 -0.89 0.21 0.00 0.00 175.17 175.51 1tcx s THR 31 N -2.47 5.16 -0.08 -1.27 2.01 -1.26 -3.70 115.64 114.02 1tcx s THR 31 Ca 0.35 0.90 0.02 0.00 0.31 0.00 0.00 61.69 63.27 1tcx s THR 31 Cb -0.01 -3.78 0.02 0.00 0.01 0.00 0.00 72.50 68.73 1tcx s THR 31 CO 0.20 0.38 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.76 1tcx s ILE 32 N 0.27 1.21 0.20 1.82 -1.09 -0.47 -0.63 121.20 122.51 1tcx s ILE 32 Ca 0.25 -0.49 0.10 0.00 -2.23 0.00 0.00 60.65 58.27 1tcx s ILE 32 Cb -0.15 -1.12 -0.04 0.00 -1.58 0.00 0.00 42.46 39.56 1tcx s ILE 32 CO 0.10 0.38 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.31 1tcx s LEU 33 N 0.89 2.85 0.61 2.97 1.43 0.80 -0.87 118.68 127.37 1tcx s LEU 33 Ca -0.10 -0.69 -0.17 0.00 -1.03 0.00 0.00 54.13 52.14 1tcx s LEU 33 Cb -0.15 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 1tcx s LEU 33 CO 0.01 0.09 1.12 -1.61 0.23 0.00 0.00 176.35 176.19 1tcx s GLU 34 N -2.96 3.02 -0.41 1.70 2.02 -1.26 -1.62 118.70 119.20 1tcx s GLU 34 Ca 0.25 1.51 -0.38 0.00 0.02 0.00 0.00 54.97 56.38 1tcx s GLU 34 Cb -0.08 -1.97 -0.16 0.00 0.10 0.00 0.00 34.13 32.02 1tcx s GLU 34 CO 0.15 -1.09 1.45 -1.91 0.02 0.00 0.00 175.26 173.87 1tcx n GLU 35 N -1.92 0.00 -3.88 1.61 4.07 -1.18 -4.63 120.64 114.70 1tcx n GLU 35 Ca 0.11 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.13 1tcx n GLU 35 Cb 0.51 -1.23 -0.02 0.00 -0.06 0.00 0.00 31.44 30.65 1tcx n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1tcx s MET 36 N 3.25 1.81 -0.28 5.31 0.23 -1.26 -5.03 119.30 123.33 1tcx s MET 36 Ca 0.90 -1.12 -0.14 0.00 -1.03 0.00 0.00 55.69 54.29 1tcx s MET 36 Cb -1.23 0.58 -0.04 0.00 -1.53 0.00 0.00 34.83 32.62 1tcx s MET 36 CO 0.63 -0.82 0.35 0.45 -2.03 0.00 0.00 175.02 173.60 1tcx s SER 37 N -2.97 6.22 -0.02 -1.18 0.15 -1.26 -5.04 113.70 109.60 1tcx s SER 37 Ca 0.14 0.21 0.04 0.00 0.70 0.00 0.00 55.95 57.04 1tcx s SER 37 Cb -0.05 -2.20 -0.00 0.00 -1.71 0.00 0.00 66.02 62.06 1tcx s SER 37 CO 0.08 -0.18 -0.13 -0.76 1.20 0.00 0.00 173.24 173.45 1tcx s LEU 38 N 2.04 1.92 0.47 3.45 1.43 -1.26 -5.07 118.68 121.66 1tcx s LEU 38 Ca 0.14 -0.25 -0.21 0.00 -1.03 0.00 0.00 54.13 52.78 1tcx s LEU 38 Cb -0.16 -0.71 -0.09 0.00 0.03 0.00 0.00 46.19 45.27 1tcx s LEU 38 CO 0.10 0.13 1.04 -2.16 0.23 0.00 0.00 176.35 175.70 1tcx s PRO 39 N -0.07 3.88 0.00 1.29 0.04 -1.26 -4.92 135.00 133.96 1tcx s PRO 39 Ca 0.00 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1tcx s PRO 39 Cb -0.08 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1tcx s PRO 39 CO 0.00 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.08 1tcx n GLY 40 N -0.09 -1.50 3.89 0.56 0.00 -1.26 -5.01 105.19 101.78 1tcx n GLY 40 Ca 0.08 -2.23 -0.33 0.00 0.00 0.00 0.00 46.02 43.55 1tcx n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1tcx s ARG 41 N -0.90 3.67 0.18 1.61 3.52 -1.26 -5.10 118.95 120.67 1tcx s ARG 41 Ca 0.00 0.01 0.05 0.00 -0.13 0.00 0.00 55.73 55.66 1tcx s ARG 41 Cb 0.00 -2.91 -0.05 0.00 -1.56 0.00 0.00 34.95 30.43 1tcx s ARG 41 CO 0.00 0.51 -0.10 1.67 -0.81 0.00 0.00 175.30 176.57 1tcx s TRP 42 N -1.55 1.48 0.10 5.12 1.48 -1.26 -4.62 118.94 119.69 1tcx s TRP 42 Ca 0.37 -0.73 0.08 0.00 -1.06 0.00 0.00 56.10 54.77 1tcx s TRP 42 Cb -0.13 -0.76 -0.03 0.00 -1.16 0.00 0.00 33.47 31.39 1tcx s TRP 42 CO 0.22 0.16 -0.21 -1.59 -4.06 0.00 0.00 176.95 171.46 1tcx s LYS 43 N -3.73 1.12 0.31 3.25 0.00 -0.91 -4.90 119.74 114.88 1tcx s LYS 43 Ca 0.21 -1.15 -0.19 0.00 0.00 0.00 0.00 55.97 54.84 1tcx s LYS 43 Cb 0.02 -1.37 -0.09 0.00 0.00 0.00 0.00 37.83 36.39 1tcx s LYS 43 CO 0.04 0.32 0.80 -1.25 0.00 0.00 0.00 175.35 175.26 1tcx s PRO 44 N -1.89 4.20 0.11 1.78 0.04 -1.26 -0.36 135.00 137.61 1tcx s PRO 44 Ca 0.06 0.90 -0.07 0.00 0.04 0.00 0.00 61.00 61.93 1tcx s PRO 44 Cb -0.10 -2.57 -0.01 0.00 0.04 0.00 0.00 34.50 31.86 1tcx s PRO 44 CO 0.04 0.21 0.17 0.21 0.04 0.00 0.00 177.00 177.67 1tcx s LYS 45 N -2.60 0.91 -0.10 4.56 2.20 -0.99 -4.90 119.74 118.83 1tcx s LYS 45 Ca 0.52 -1.11 0.04 0.00 -0.36 0.00 0.00 55.97 55.05 1tcx s LYS 45 Cb -0.13 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.52 1tcx s LYS 45 CO 0.18 -0.29 -0.22 -1.64 -0.36 0.00 0.00 175.35 173.03 1tcx s MET 46 N -3.92 2.80 0.08 4.03 -1.94 -1.26 -2.02 119.30 117.06 1tcx s MET 46 Ca 0.11 -0.79 0.09 0.00 -1.71 0.00 0.00 55.69 53.38 1tcx s MET 46 Cb 0.05 -2.14 -0.03 0.00 2.01 0.00 0.00 34.83 34.72 1tcx s MET 46 CO -0.06 0.14 -0.23 0.08 -0.01 0.00 0.00 175.02 174.94 1tcx s VAL 47 N 0.43 1.86 0.00 -6.03 1.01 -0.48 -4.94 120.40 112.26 1tcx s VAL 47 Ca -0.17 -1.45 0.07 0.00 0.00 0.00 0.00 61.98 60.42 1tcx s VAL 47 Cb -0.17 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1tcx s VAL 47 CO 0.07 0.11 -0.21 -0.83 0.00 0.00 0.00 175.10 174.25 1tcx s GLY 48 N -1.61 1.05 0.00 4.51 0.00 -1.26 -1.08 107.32 108.93 1tcx s GLY 48 Ca 0.09 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.86 1tcx s GLY 48 CO 0.03 -0.82 0.00 0.61 0.00 0.00 0.00 173.10 172.92 1tcx n GLY 49 N 2.34 5.52 3.77 0.20 0.00 -0.04 -4.96 105.19 112.02 1tcx n GLY 49 Ca -0.16 -1.45 -0.40 0.00 0.00 0.00 0.00 46.02 44.02 1tcx n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tcx s ILE 50 N 0.92 2.98 0.00 -0.61 1.09 -1.26 -2.09 121.20 122.22 1tcx s ILE 50 Ca 0.00 0.94 0.00 0.00 -1.10 0.00 0.00 60.65 60.49 1tcx s ILE 50 Cb 0.00 -3.58 0.00 0.00 -1.06 0.00 0.00 42.46 37.82 1tcx s ILE 50 CO 0.00 0.19 0.00 0.61 -0.10 0.00 0.00 174.94 175.64 1tcx n GLY 51 N 0.84 3.05 0.00 6.18 0.00 -1.26 -4.91 105.19 109.09 1tcx n GLY 51 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1tcx n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tcx n GLY 52 N -1.25 0.59 3.76 -0.02 0.00 -0.89 -5.09 105.19 102.28 1tcx n GLY 52 Ca 0.00 -2.13 -0.33 0.00 0.00 0.00 0.00 46.02 43.56 1tcx n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tcx s PHE 53 N -0.82 3.26 0.11 1.61 0.40 -1.26 -0.86 117.98 120.43 1tcx s PHE 53 Ca 0.00 0.21 0.06 0.00 -0.60 0.00 0.00 56.93 56.59 1tcx s PHE 53 Cb 0.00 -1.75 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 1tcx s PHE 53 CO 0.00 0.54 -0.14 0.96 0.70 0.00 0.00 175.22 177.28 1tcx s ILE 54 N -1.13 1.25 -0.10 0.64 -4.36 -0.24 -4.94 121.20 112.32 1tcx s ILE 54 Ca 0.21 -1.66 -0.13 0.00 -0.26 0.00 0.00 60.65 58.80 1tcx s ILE 54 Cb -0.12 -1.46 -0.05 0.00 1.25 0.00 0.00 42.46 42.08 1tcx s ILE 54 CO 0.11 -0.41 0.31 -0.75 0.24 0.00 0.00 174.94 174.44 1tcx s LYS 55 N -2.59 4.02 0.22 0.37 2.20 -1.26 -1.37 119.74 121.33 1tcx s LYS 55 Ca 0.07 0.17 0.02 0.00 -0.36 0.00 0.00 55.97 55.87 1tcx s LYS 55 Cb -0.05 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 1tcx s LYS 55 CO 0.03 0.46 0.05 0.14 -0.36 0.00 0.00 175.35 175.66 1tcx s VAL 56 N -0.23 0.65 -0.22 4.02 -7.23 -0.86 -4.47 120.40 112.06 1tcx s VAL 56 Ca 0.19 -1.99 -0.07 0.00 -1.81 0.00 0.00 61.98 58.30 1tcx s VAL 56 Cb -0.14 -2.38 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 1tcx s VAL 56 CO 0.07 -0.24 0.05 -0.13 -0.31 0.00 0.00 175.10 174.54 1tcx s ARG 57 N -3.97 3.71 -0.21 4.82 3.00 -0.25 -2.35 118.95 123.70 1tcx s ARG 57 Ca 0.31 -0.46 -0.16 0.00 0.00 0.00 0.00 55.73 55.41 1tcx s ARG 57 Cb 0.07 -3.24 -0.04 0.00 0.00 0.00 0.00 34.95 31.75 1tcx s ARG 57 CO 0.09 -0.04 0.42 -1.14 0.00 0.00 0.00 175.30 174.63 1tcx s GLN 58 N 1.20 4.16 -0.09 3.54 0.74 0.51 -1.72 119.66 128.00 1tcx s GLN 58 Ca 0.04 0.23 0.03 0.00 0.05 0.00 0.00 55.36 55.71 1tcx s GLN 58 Cb -0.14 -3.55 -0.02 0.00 1.10 0.00 0.00 33.01 30.40 1tcx s GLN 58 CO 0.03 -0.09 -0.17 0.71 -0.55 0.00 0.00 175.29 175.22 1tcx s TYR 59 N 1.46 2.68 0.18 1.67 1.51 -0.57 -2.15 117.35 122.13 1tcx s TYR 59 Ca 0.20 -0.54 0.04 0.00 -1.01 0.00 0.00 57.07 55.76 1tcx s TYR 59 Cb -0.15 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 39.95 1tcx s TYR 59 CO 0.08 -0.11 0.23 -0.51 -1.11 0.00 0.00 175.55 174.14 1tcx s ASP 60 N -0.09 5.94 -1.17 2.29 1.01 -1.26 -0.92 116.67 122.47 1tcx s ASP 60 Ca -0.03 -0.00 -0.24 0.00 0.71 0.00 0.00 52.55 52.98 1tcx s ASP 60 Cb -0.14 -1.67 0.01 0.00 1.01 0.00 0.00 42.92 42.12 1tcx s ASP 60 CO 0.04 0.03 0.76 0.00 0.21 0.00 0.00 175.17 176.20 1tcx n GLN 61 N -0.67 -1.02 -4.00 8.23 6.02 -1.14 -4.88 117.38 119.91 1tcx n GLN 61 Ca -0.08 0.35 -0.36 0.00 -0.01 0.00 0.00 57.00 56.90 1tcx n GLN 61 Cb 0.55 -3.72 -0.07 0.00 1.02 0.00 0.00 30.24 28.02 1tcx n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1tcx s ILE 62 N -3.50 5.17 -0.14 5.09 -1.09 -0.19 -4.79 121.20 121.75 1tcx s ILE 62 Ca 0.47 0.08 -0.11 0.00 -2.23 0.00 0.00 60.65 58.86 1tcx s ILE 62 Cb -0.19 -3.24 -0.05 0.00 -1.58 0.00 0.00 42.46 37.40 1tcx s ILE 62 CO 0.89 0.60 0.21 -0.22 -1.23 0.00 0.00 174.94 175.19 1tcx s LEU 63 N -0.85 4.30 -0.06 2.97 2.96 -1.26 -0.53 118.68 126.21 1tcx s LEU 63 Ca 0.14 0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 54.44 1tcx s LEU 63 Cb -0.12 -2.22 0.02 0.00 0.50 0.00 0.00 46.19 44.37 1tcx s LEU 63 CO 0.03 0.24 0.17 -0.51 -1.32 0.00 0.00 176.35 174.97 1tcx s ILE 64 N -0.18 0.01 -0.23 6.68 2.07 0.14 -4.70 121.20 124.99 1tcx s ILE 64 Ca 0.14 -0.07 -0.07 0.00 -1.41 0.00 0.00 60.65 59.24 1tcx s ILE 64 Cb -0.12 -0.27 -0.03 0.00 0.13 0.00 0.00 42.46 42.16 1tcx s ILE 64 CO 0.03 -0.04 0.06 -0.70 -1.91 0.00 0.00 174.94 172.38 1tcx s GLU 65 N -0.07 3.71 -0.34 3.50 2.12 -1.07 -0.33 118.70 126.22 1tcx s GLU 65 Ca -0.02 -0.46 -0.01 0.00 0.36 0.00 0.00 54.97 54.85 1tcx s GLU 65 Cb -0.02 -3.29 0.08 0.00 0.26 0.00 0.00 34.13 31.16 1tcx s GLU 65 CO 0.00 -0.09 0.08 0.42 -0.54 0.00 0.00 175.26 175.13 1tcx s ILE 66 N 1.35 2.92 -1.13 -3.70 1.09 0.81 -2.00 121.20 120.55 1tcx s ILE 66 Ca 0.05 -1.83 -0.14 0.00 -1.10 0.00 0.00 60.65 57.63 1tcx s ILE 66 Cb -0.15 -2.88 -0.03 0.00 -1.06 0.00 0.00 42.46 38.34 1tcx s ILE 66 CO 0.03 -0.41 0.83 0.00 -0.10 0.00 0.00 174.94 175.29 1tcx n GLY 68 N -1.53 2.41 3.70 0.00 0.00 -1.26 -4.95 105.19 103.56 1tcx n GLY 68 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1tcx n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1tcx s HIS 69 N -1.17 3.45 0.35 1.61 4.02 -0.74 -5.03 115.29 117.77 1tcx s HIS 69 Ca 0.00 0.77 -0.25 0.00 1.02 0.00 0.00 55.06 56.60 1tcx s HIS 69 Cb 0.00 -2.53 -0.10 0.00 -1.02 0.00 0.00 32.58 28.93 1tcx s HIS 69 CO 0.00 0.10 0.98 0.15 1.02 0.00 0.00 174.74 176.99 1tcx s LYS 70 N 0.90 4.46 -0.05 1.40 1.02 -1.26 -0.13 119.74 126.08 1tcx s LYS 70 Ca 0.23 1.39 -0.17 0.00 0.02 0.00 0.00 55.97 57.44 1tcx s LYS 70 Cb -0.15 -2.72 0.03 0.00 -0.52 0.00 0.00 37.83 34.47 1tcx s LYS 70 CO 0.09 0.15 0.39 0.00 -0.92 0.00 0.00 175.35 175.06 1tcx s ALA 71 N -1.63 -0.99 -0.00 5.17 0.00 0.55 -4.87 121.76 119.98 1tcx s ALA 71 Ca 0.52 0.68 0.03 0.00 0.00 0.00 0.00 51.96 53.19 1tcx s ALA 71 Cb -0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1tcx s ALA 71 CO 0.25 -0.26 -0.10 -1.50 0.00 0.00 0.00 175.76 174.15 1tcx s ILE 72 N -0.94 0.81 -0.60 0.00 2.07 -1.26 -0.68 121.20 120.61 1tcx s ILE 72 Ca -0.10 -0.49 0.00 0.00 -1.41 0.00 0.00 60.65 58.65 1tcx s ILE 72 Cb -0.04 -0.69 0.00 0.00 0.13 0.00 0.00 42.46 41.86 1tcx s ILE 72 CO 0.04 0.19 0.00 0.61 -1.91 0.00 0.00 174.94 173.88 1tcx n GLY 73 N 2.73 -1.28 3.75 1.50 0.00 0.31 -4.91 105.19 107.30 1tcx n GLY 73 Ca -0.14 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 1tcx n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tcx s THR 74 N -2.56 2.94 -0.05 2.61 2.01 -1.26 -1.02 115.64 118.31 1tcx s THR 74 Ca 0.00 0.86 0.02 0.00 0.31 0.00 0.00 61.69 62.89 1tcx s THR 74 Cb 0.00 -3.55 0.01 0.00 0.01 0.00 0.00 72.50 68.97 1tcx s THR 74 CO 0.00 0.17 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.31 1tcx s VAL 75 N -0.58 0.96 -0.09 3.82 1.01 -0.10 -4.42 120.40 121.01 1tcx s VAL 75 Ca 0.52 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 1tcx s VAL 75 Cb -0.38 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1tcx s VAL 75 CO 0.46 0.31 0.05 -0.76 0.00 0.00 0.00 175.10 175.15 1tcx s LEU 76 N 0.55 3.84 -0.09 3.92 1.43 0.20 -1.51 118.68 127.03 1tcx s LEU 76 Ca -0.11 0.24 0.04 0.00 -1.03 0.00 0.00 54.13 53.28 1tcx s LEU 76 Cb -0.14 -1.93 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 1tcx s LEU 76 CO 0.02 0.38 -0.23 -0.69 0.23 0.00 0.00 176.35 176.06 1tcx s VAL 77 N -0.96 1.98 -1.27 -1.59 1.01 -0.70 -0.14 120.40 118.73 1tcx s VAL 77 Ca 0.15 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1tcx s VAL 77 Cb -0.12 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.56 1tcx s VAL 77 CO 0.04 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1tcx n GLY 78 N 3.38 -1.30 2.55 4.51 0.00 -0.64 -1.09 105.19 112.60 1tcx n GLY 78 Ca -0.19 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.62 1tcx n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1tcx n PRO 79 N -0.02 2.53 -3.39 1.61 -0.04 -1.26 -3.11 135.00 131.32 1tcx n PRO 79 Ca 0.00 -1.71 -0.37 0.00 -0.04 0.00 0.00 63.50 61.38 1tcx n PRO 79 Cb 0.00 -2.59 -0.06 0.00 -0.04 0.00 0.00 33.50 30.81 1tcx n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1tcx s THR 80 N 3.13 4.88 0.23 0.52 -1.32 -1.26 -4.99 115.64 116.83 1tcx s THR 80 Ca 0.49 0.93 0.28 0.00 -1.21 0.00 0.00 61.69 62.17 1tcx s THR 80 Cb 0.13 -3.77 0.29 0.00 -1.51 0.00 0.00 72.50 67.63 1tcx s THR 80 CO -0.04 0.44 1.95 1.55 -2.21 0.00 0.00 174.62 176.31 1tcx h PRO 81 N 4.19 0.00 -3.08 7.08 0.13 -1.97 -3.43 132.00 134.92 1tcx h PRO 81 Ca -0.50 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.53 1tcx h PRO 81 Cb 1.21 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.15 1tcx h PRO 81 CO 0.64 0.14 -0.24 -1.50 -0.23 0.00 0.00 178.00 176.81 1tcx s ILE 82 N -3.82 0.06 0.12 -3.56 2.07 -1.26 -5.08 121.20 109.73 1tcx s ILE 82 Ca -0.00 -0.52 -0.30 0.00 -1.41 0.00 0.00 60.65 58.41 1tcx s ILE 82 Cb 0.11 -0.74 -0.07 0.00 0.13 0.00 0.00 42.46 41.89 1tcx s ILE 82 CO 0.59 -0.29 1.18 0.20 -1.91 0.00 0.00 174.94 174.72 1tcx s ASN 83 N -1.57 7.11 -0.09 4.50 0.01 -1.26 -4.69 114.94 118.95 1tcx s ASN 83 Ca -0.11 2.09 0.03 0.00 -0.71 0.00 0.00 52.86 54.16 1tcx s ASN 83 Cb -0.04 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.04 1tcx s ASN 83 CO 0.02 -0.40 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.42 1tcx s ILE 84 N 0.52 1.48 -0.33 0.60 1.01 -0.05 -1.09 121.20 123.34 1tcx s ILE 84 Ca 0.56 -0.67 -0.12 0.00 0.00 0.00 0.00 60.65 60.42 1tcx s ILE 84 Cb -0.30 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 40.83 1tcx s ILE 84 CO 0.32 0.43 0.22 -0.63 0.00 0.00 0.00 174.94 175.29 1tcx s ILE 85 N 0.66 5.11 0.40 2.92 -1.09 -0.22 -1.37 121.20 127.60 1tcx s ILE 85 Ca -0.14 -0.28 0.03 0.00 -2.23 0.00 0.00 60.65 58.04 1tcx s ILE 85 Cb -0.16 -3.63 0.07 0.00 -1.58 0.00 0.00 42.46 37.16 1tcx s ILE 85 CO 0.04 0.00 0.55 0.61 -1.23 0.00 0.00 174.94 174.91 1tcx n GLY 86 N 5.08 1.35 0.31 6.18 0.00 -1.24 -1.51 105.19 115.35 1tcx n GLY 86 Ca -0.13 -2.10 0.07 0.00 0.00 0.00 0.00 46.02 43.86 1tcx n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1tcx h ARG 87 N 0.00 0.40 -0.30 1.61 3.08 -0.72 -1.65 114.38 116.80 1tcx h ARG 87 Ca -0.18 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 59.91 1tcx h ARG 87 Cb 0.75 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1tcx h ARG 87 CO 0.23 0.26 0.21 -2.95 -1.07 0.00 0.00 179.97 176.65 1tcx h ASN 88 N 0.41 0.08 0.00 7.04 -1.07 -1.75 -1.56 115.58 118.73 1tcx h ASN 88 Ca 0.15 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.50 1tcx h ASN 88 Cb 0.11 -0.02 -0.00 0.00 -2.07 0.00 0.00 38.32 36.34 1tcx h ASN 88 CO -0.04 0.05 -1.56 0.18 0.07 0.00 0.00 177.43 176.13 1tcx n LEU 89 N -4.47 0.00 -0.10 6.14 4.77 -0.91 -4.43 117.00 118.00 1tcx n LEU 89 Ca 0.04 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.97 1tcx n LEU 89 Cb 0.32 0.03 0.15 0.00 -2.33 0.00 0.00 43.42 41.59 1tcx n LEU 89 CO 0.35 0.03 0.85 -0.07 -1.33 0.00 0.00 177.39 177.22 1tcx h LEU 90 N 0.00 0.75 -0.85 2.23 3.38 -0.87 -2.37 115.31 117.58 1tcx h LEU 90 Ca -0.03 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 1tcx h LEU 90 Cb 0.67 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1tcx h LEU 90 CO 0.00 0.85 0.18 0.71 0.09 0.00 0.00 178.44 180.27 1tcx h THR 91 N 0.72 1.25 0.00 0.22 1.35 -1.53 -1.86 112.91 113.06 1tcx h THR 91 Ca 0.13 -0.90 -0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1tcx h THR 91 Cb 0.50 0.55 -0.00 0.00 -1.73 0.00 0.00 68.15 67.46 1tcx h THR 91 CO 0.03 0.34 -0.01 1.56 -0.25 0.00 0.00 175.52 177.19 1tcx h GLN 92 N 0.99 0.00 -0.42 4.72 1.08 -1.64 -1.20 115.11 118.64 1tcx h GLN 92 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1tcx h GLN 92 Cb 0.32 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1tcx h GLN 92 CO -0.00 0.01 0.00 0.44 -0.95 0.00 0.00 178.83 178.32 1tcx n ILE 93 N -4.38 0.54 -0.90 2.54 -5.35 -1.09 -4.94 119.36 105.77 1tcx n ILE 93 Ca -0.03 -0.73 0.00 0.00 -0.27 0.00 0.00 62.75 61.72 1tcx n ILE 93 Cb 0.09 0.82 0.00 0.00 -1.74 0.00 0.00 39.64 38.82 1tcx n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1tcx n GLY 94 N 1.48 0.54 3.71 3.28 0.00 -0.45 -5.02 105.19 108.73 1tcx n GLY 94 Ca 0.20 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 1tcx n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tcx s THR 96 N 0.97 1.23 -0.18 0.00 -4.23 -1.26 -4.67 115.64 107.49 1tcx s THR 96 Ca 0.57 -2.07 -0.05 0.00 -1.18 0.00 0.00 61.69 58.96 1tcx s THR 96 Cb -0.28 -2.29 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 1tcx s THR 96 CO 0.29 -0.39 -0.00 -0.22 -0.54 0.00 0.00 174.62 173.76 1tcx s LEU 97 N -3.32 3.36 0.03 4.79 2.96 -1.26 -5.09 118.68 120.15 1tcx s LEU 97 Ca 0.27 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 54.09 1tcx s LEU 97 Cb 0.04 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 1tcx s LEU 97 CO 0.08 0.13 -0.09 0.20 -1.32 0.00 0.00 176.35 175.35 1tcx s ASN 98 N 0.62 1.02 0.00 3.68 -0.87 -1.26 -5.29 114.94 112.84 1tcx s ASN 98 Ca -0.01 -0.40 0.00 0.00 -1.57 0.00 0.00 52.86 50.88 1tcx s ASN 98 Cb -0.14 -0.03 0.00 0.00 -0.02 0.00 0.00 41.25 41.06 1tcx s ASN 98 CO 0.02 -0.06 0.00 2.22 -2.57 0.00 0.00 177.10 176.71