#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 3.14 -0.16 0.54 0.74 -1.26 -5.11 119.66 117.55 1tcx s GLN 2 Ca 0.00 -0.81 0.01 0.00 0.05 0.00 0.00 55.36 54.61 1tcx s GLN 2 Cb 0.00 -2.45 0.01 0.00 1.10 0.00 0.00 33.01 31.67 1tcx s GLN 2 CO 0.00 0.12 -0.18 0.42 -0.55 0.00 0.00 175.29 175.10 1tcx s ILE 3 N 0.52 2.31 0.68 -2.34 1.01 -1.26 -5.12 121.20 117.00 1tcx s ILE 3 Ca -0.13 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 59.60 1tcx s ILE 3 Cb -0.17 -1.96 0.07 0.00 0.01 0.00 0.00 42.46 40.42 1tcx s ILE 3 CO 0.05 0.53 0.96 0.42 0.00 0.00 0.00 174.94 176.90 1tcx s THR 4 N 1.00 2.34 -0.27 2.92 -4.23 -1.26 -5.04 115.64 111.11 1tcx s THR 4 Ca -0.02 -0.42 0.09 0.00 -1.18 0.00 0.00 61.69 60.16 1tcx s THR 4 Cb -0.15 -2.92 0.48 0.00 1.34 0.00 0.00 72.50 71.25 1tcx s THR 4 CO -0.05 0.00 1.39 0.18 -0.54 0.00 0.00 174.62 175.60 1tcx n LEU 5 N -2.80 3.70 0.21 4.79 4.77 -1.26 -4.54 117.00 121.87 1tcx n LEU 5 Ca 0.10 -3.83 0.08 0.00 -0.03 0.00 0.00 56.01 52.33 1tcx n LEU 5 Cb 0.60 -0.60 0.44 0.00 -2.33 0.00 0.00 43.42 41.53 1tcx n LEU 5 CO 0.48 1.31 0.77 -0.50 -1.33 0.00 0.00 177.39 178.12 1tcx h TRP 6 N 1.00 0.00 -1.62 -1.77 4.06 -2.06 -3.44 115.95 112.12 1tcx h TRP 6 Ca 0.16 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.49 1tcx h TRP 6 Cb 1.46 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.49 1tcx h TRP 6 CO 0.96 0.28 -0.58 -0.65 -3.56 0.00 0.00 178.44 174.88 1tcx s GLN 7 N -3.73 1.96 0.13 0.49 1.11 -1.26 -5.10 119.66 113.26 1tcx s GLN 7 Ca -0.00 -2.14 -0.31 0.00 0.01 0.00 0.00 55.36 52.92 1tcx s GLN 7 Cb 0.11 -1.48 -0.08 0.00 -1.01 0.00 0.00 33.01 30.56 1tcx s GLN 7 CO 0.65 -0.14 1.31 1.03 0.01 0.00 0.00 175.29 178.15 1tcx s ARG 8 N -3.77 4.38 -1.14 2.91 0.52 -1.26 -4.91 118.95 115.68 1tcx s ARG 8 Ca 0.29 1.99 -0.21 0.00 -0.52 0.00 0.00 55.73 57.29 1tcx s ARG 8 Cb 0.08 -3.25 -0.06 0.00 0.52 0.00 0.00 34.95 32.24 1tcx s ARG 8 CO 0.15 -0.32 1.92 -0.35 0.02 0.00 0.00 175.30 176.72 1tcx n PRO 9 N 3.45 2.06 -3.41 3.54 -0.04 -1.26 -4.96 135.00 134.38 1tcx n PRO 9 Ca 0.09 -2.53 -0.38 0.00 -0.04 0.00 0.00 63.50 60.65 1tcx n PRO 9 Cb 0.43 -3.45 -0.06 0.00 -0.04 0.00 0.00 33.50 30.38 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 6.42 4.33 0.27 1.53 1.43 -1.26 -0.82 118.68 130.58 1tcx s LEU 10 Ca 0.61 0.81 0.03 0.00 -1.03 0.00 0.00 54.13 54.54 1tcx s LEU 10 Cb 0.05 -2.61 -0.06 0.00 0.03 0.00 0.00 46.19 43.61 1tcx s LEU 10 CO 0.10 0.12 0.04 0.68 0.23 0.00 0.00 176.35 177.52 1tcx s VAL 11 N 0.08 0.94 -0.12 -1.59 -7.23 0.44 -4.92 120.40 108.00 1tcx s VAL 11 Ca 0.24 -2.01 -0.12 0.00 -1.81 0.00 0.00 61.98 58.27 1tcx s VAL 11 Cb -0.15 -2.56 -0.05 0.00 0.56 0.00 0.00 36.38 34.18 1tcx s VAL 11 CO 0.10 -0.13 0.27 -0.89 -0.31 0.00 0.00 175.10 174.13 1tcx s THR 12 N -3.48 5.30 0.15 5.32 2.01 -1.26 -1.28 115.64 122.40 1tcx s THR 12 Ca 0.34 0.50 0.10 0.00 0.31 0.00 0.00 61.69 62.94 1tcx s THR 12 Cb 0.07 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1tcx s THR 12 CO 0.12 0.49 -0.23 0.27 -0.69 0.00 0.00 174.62 174.59 1tcx s ILE 13 N -0.26 2.05 -0.16 1.82 -4.36 0.56 -3.34 121.20 117.51 1tcx s ILE 13 Ca 0.17 -1.81 0.01 0.00 -0.26 0.00 0.00 60.65 58.76 1tcx s ILE 13 Cb -0.13 -1.88 0.00 0.00 1.25 0.00 0.00 42.46 41.70 1tcx s ILE 13 CO 0.06 -0.09 -0.17 -0.75 0.24 0.00 0.00 174.94 174.23 1tcx s LYS 14 N -2.33 3.14 -0.11 0.37 2.20 -0.74 -1.38 119.74 120.90 1tcx s LYS 14 Ca 0.14 -0.78 -0.05 0.00 -0.36 0.00 0.00 55.97 54.92 1tcx s LYS 14 Cb -0.09 -2.59 0.05 0.00 -1.51 0.00 0.00 37.83 33.69 1tcx s LYS 14 CO 0.07 -0.04 0.23 -1.50 -0.36 0.00 0.00 175.35 173.75 1tcx s ILE 15 N 0.93 -0.16 -0.97 5.43 2.07 0.48 -2.54 121.20 126.44 1tcx s ILE 15 Ca -0.03 0.21 0.00 0.00 -1.41 0.00 0.00 60.65 59.41 1tcx s ILE 15 Cb -0.15 -0.37 0.00 0.00 0.13 0.00 0.00 42.46 42.07 1tcx s ILE 15 CO -0.03 0.09 0.00 0.61 -1.91 0.00 0.00 174.94 173.70 1tcx n GLY 16 N 4.63 0.49 2.43 1.50 0.00 -1.26 -1.13 105.19 111.85 1tcx n GLY 16 Ca -0.18 -0.50 -0.02 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.33 0.42 3.54 -0.02 0.00 -1.26 -5.03 105.19 101.51 1tcx n GLY 17 Ca -0.11 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.26 2.48 0.06 1.61 -0.21 -0.28 -5.12 119.66 116.93 1tcx s GLN 18 Ca 0.00 -0.74 -0.03 0.00 0.02 0.00 0.00 55.36 54.61 1tcx s GLN 18 Cb 0.00 -2.42 -0.05 0.00 1.00 0.00 0.00 33.01 31.54 1tcx s GLN 18 CO 0.00 0.61 0.26 -0.51 -2.12 0.00 0.00 175.29 173.52 1tcx s LEU 19 N -1.15 4.34 0.19 2.90 1.43 -1.26 -0.38 118.68 124.74 1tcx s LEU 19 Ca 0.14 0.41 -0.10 0.00 -1.03 0.00 0.00 54.13 53.55 1tcx s LEU 19 Cb -0.11 -2.95 -0.01 0.00 0.03 0.00 0.00 46.19 43.15 1tcx s LEU 19 CO 0.04 0.17 0.34 -0.54 0.23 0.00 0.00 176.35 176.59 1tcx s LYS 20 N -2.34 1.27 -0.11 1.70 1.02 -0.48 -4.96 119.74 115.85 1tcx s LYS 20 Ca 0.34 -1.21 -0.00 0.00 0.02 0.00 0.00 55.97 55.12 1tcx s LYS 20 Cb -0.13 0.40 -0.02 0.00 -0.52 0.00 0.00 37.83 37.56 1tcx s LYS 20 CO 0.24 -0.49 -0.10 -2.00 -0.92 0.00 0.00 175.35 172.09 1tcx s GLU 21 N -3.99 3.16 0.04 1.68 2.12 -1.26 -0.32 118.70 120.13 1tcx s GLU 21 Ca 0.20 -0.62 -0.01 0.00 0.36 0.00 0.00 54.97 54.90 1tcx s GLU 21 Cb 0.02 -2.65 -0.03 0.00 0.26 0.00 0.00 34.13 31.74 1tcx s GLU 21 CO 0.03 0.39 -0.02 0.00 -0.54 0.00 0.00 175.26 175.12 1tcx s ALA 22 N -0.10 0.31 -0.16 6.30 0.00 -0.40 -4.52 121.76 123.19 1tcx s ALA 22 Ca -0.00 -0.91 -0.16 0.00 0.00 0.00 0.00 51.96 50.89 1tcx s ALA 22 Cb -0.13 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 1tcx s ALA 22 CO 0.03 -0.28 0.38 -1.17 0.00 0.00 0.00 175.76 174.72 1tcx s LEU 23 N -2.29 4.23 -0.41 0.00 2.96 -0.74 -0.42 118.68 122.01 1tcx s LEU 23 Ca -0.03 0.60 -0.27 0.00 -0.22 0.00 0.00 54.13 54.21 1tcx s LEU 23 Cb 0.00 -2.51 0.02 0.00 0.50 0.00 0.00 46.19 44.20 1tcx s LEU 23 CO -0.06 0.02 1.01 -0.76 -1.32 0.00 0.00 176.35 175.24 1tcx s LEU 24 N 0.76 3.88 -0.34 -0.68 1.43 -0.00 -1.51 118.68 122.22 1tcx s LEU 24 Ca 0.20 0.53 0.02 0.00 -1.03 0.00 0.00 54.13 53.85 1tcx s LEU 24 Cb -0.14 -3.38 0.09 0.00 0.03 0.00 0.00 46.19 42.79 1tcx s LEU 24 CO 0.07 -1.02 0.07 -0.62 0.23 0.00 0.00 176.35 175.08 1tcx s ASP 25 N 2.09 4.87 0.52 2.29 -1.08 -0.66 -4.80 116.67 119.90 1tcx s ASP 25 Ca 0.42 -1.94 0.33 0.00 -0.52 0.00 0.00 52.55 50.84 1tcx s ASP 25 Cb -0.10 -1.68 1.33 0.00 -1.46 0.00 0.00 42.92 41.01 1tcx s ASP 25 CO 0.24 -0.39 1.96 0.71 0.52 0.00 0.00 175.17 178.21 1tcx h THR 26 N 6.55 0.00 -0.08 1.71 1.35 -1.94 -2.30 112.91 118.20 1tcx h THR 26 Ca -0.10 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1tcx h THR 26 Cb 1.03 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 1tcx h THR 26 CO 0.56 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.44 1tcx n GLY 27 N 0.04 -0.22 3.36 5.82 0.00 -1.26 -4.80 105.19 108.13 1tcx n GLY 27 Ca 0.01 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.90 3.02 0.38 4.61 0.00 -0.86 -5.01 121.76 122.01 1tcx s ALA 28 Ca 0.33 -1.30 0.11 0.00 0.00 0.00 0.00 51.96 51.10 1tcx s ALA 28 Cb 0.17 -2.02 0.75 0.00 0.00 0.00 0.00 23.12 22.02 1tcx s ALA 28 CO 0.27 -0.70 1.86 -0.44 0.00 0.00 0.00 175.76 176.75 1tcx h ASP 29 N 8.20 0.09 -1.78 0.00 3.32 -1.87 0.01 116.42 124.39 1tcx h ASP 29 Ca -0.36 -0.03 -0.61 0.00 0.02 0.00 0.00 57.03 56.06 1tcx h ASP 29 Cb 1.15 -0.02 -0.13 0.00 0.22 0.00 0.00 39.33 40.54 1tcx h ASP 29 CO 0.60 0.38 -0.59 -1.81 -1.72 0.00 0.00 179.24 176.09 1tcx s ASP 30 N -6.93 3.67 -0.29 6.45 1.01 -1.26 -2.60 116.67 116.73 1tcx s ASP 30 Ca -0.04 -1.41 -0.11 0.00 0.71 0.00 0.00 52.55 51.71 1tcx s ASP 30 Cb 0.15 -0.24 -0.04 0.00 1.01 0.00 0.00 42.92 43.79 1tcx s ASP 30 CO 0.73 -0.52 0.19 -0.89 0.21 0.00 0.00 175.17 174.88 1tcx s THR 31 N -2.82 5.25 -0.09 -1.27 2.01 -1.26 -3.43 115.64 114.03 1tcx s THR 31 Ca 0.32 0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.47 1tcx s THR 31 Cb 0.09 -3.52 -0.00 0.00 0.01 0.00 0.00 72.50 69.08 1tcx s THR 31 CO 0.16 0.23 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.45 1tcx s ILE 32 N 1.75 2.00 0.14 1.82 1.01 -0.58 -1.61 121.20 125.73 1tcx s ILE 32 Ca 0.07 -0.99 0.09 0.00 0.00 0.00 0.00 60.65 59.81 1tcx s ILE 32 Cb -0.16 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 1tcx s ILE 32 CO 0.10 0.55 -0.15 -0.76 0.00 0.00 0.00 174.94 174.68 1tcx s LEU 33 N 0.27 2.80 0.94 2.97 1.43 -0.14 -0.15 118.68 126.81 1tcx s LEU 33 Ca -0.16 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.27 1tcx s LEU 33 Cb -0.17 -1.59 0.16 0.00 0.03 0.00 0.00 46.19 44.62 1tcx s LEU 33 CO 0.08 0.15 1.10 -1.61 0.23 0.00 0.00 176.35 176.30 1tcx s GLU 34 N -2.37 0.85 0.03 1.70 2.02 -1.26 -2.31 118.70 117.36 1tcx s GLU 34 Ca 0.20 1.13 -0.37 0.00 0.02 0.00 0.00 54.97 55.96 1tcx s GLU 34 Cb -0.10 -1.74 -0.16 0.00 0.10 0.00 0.00 34.13 32.24 1tcx s GLU 34 CO 0.12 -2.61 1.49 -1.91 0.02 0.00 0.00 175.26 172.37 1tcx n GLU 35 N -4.18 1.41 -3.77 1.61 4.07 -1.24 -4.61 120.64 113.93 1tcx n GLU 35 Ca 0.08 0.51 -0.07 0.00 -0.06 0.00 0.00 57.16 57.62 1tcx n GLU 35 Cb 0.54 -2.20 -0.02 0.00 -0.06 0.00 0.00 31.44 29.70 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 1.31 1.59 -0.32 5.31 0.23 -1.26 -5.06 119.30 121.10 1tcx s MET 36 Ca 0.86 -0.85 -0.13 0.00 -1.03 0.00 0.00 55.69 54.55 1tcx s MET 36 Cb -0.90 0.57 -0.03 0.00 -1.53 0.00 0.00 34.83 32.94 1tcx s MET 36 CO 0.48 -0.73 0.24 -1.12 -2.03 0.00 0.00 175.02 171.87 1tcx s SER 37 N -2.89 6.06 0.09 -1.18 0.01 -1.26 -5.06 113.70 109.47 1tcx s SER 37 Ca 0.10 -0.30 0.09 0.00 1.31 0.00 0.00 55.95 57.15 1tcx s SER 37 Cb -0.04 -2.14 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 1tcx s SER 37 CO 0.03 -0.19 -0.22 -0.76 0.41 0.00 0.00 173.24 172.51 1tcx s LEU 38 N 1.75 2.49 0.39 2.44 1.43 -1.26 -5.06 118.68 120.86 1tcx s LEU 38 Ca 0.07 -0.57 -0.27 0.00 -1.03 0.00 0.00 54.13 52.32 1tcx s LEU 38 Cb -0.17 -1.42 -0.10 0.00 0.03 0.00 0.00 46.19 44.54 1tcx s LEU 38 CO 0.11 0.21 1.37 -2.16 0.23 0.00 0.00 176.35 176.11 1tcx s PRO 39 N -1.77 4.05 0.00 1.29 0.04 -1.26 -4.92 135.00 132.43 1tcx s PRO 39 Ca 0.15 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1tcx s PRO 39 Cb -0.10 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.57 1tcx s PRO 39 CO 0.06 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.03 1tcx n GLY 40 N 0.64 -1.75 3.95 0.56 0.00 -1.26 -4.96 105.19 102.36 1tcx n GLY 40 Ca 0.02 -2.03 -0.23 0.00 0.00 0.00 0.00 46.02 43.78 1tcx n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tcx s ARG 41 N 0.00 3.39 0.11 1.61 0.52 -1.26 -5.12 118.95 118.19 1tcx s ARG 41 Ca 0.00 -0.74 0.04 0.00 -0.52 0.00 0.00 55.73 54.51 1tcx s ARG 41 Cb 0.00 -2.88 -0.04 0.00 0.52 0.00 0.00 34.95 32.55 1tcx s ARG 41 CO 0.00 0.46 -0.09 1.67 0.02 0.00 0.00 175.30 177.35 1tcx s TRP 42 N -1.91 1.08 0.16 -0.53 1.48 -1.26 -4.69 118.94 113.26 1tcx s TRP 42 Ca 0.34 -0.73 0.06 0.00 -1.06 0.00 0.00 56.10 54.71 1tcx s TRP 42 Cb -0.10 -0.58 -0.04 0.00 -1.16 0.00 0.00 33.47 31.59 1tcx s TRP 42 CO 0.28 -0.01 -0.13 -1.59 -4.06 0.00 0.00 176.95 171.45 1tcx s LYS 43 N -3.22 1.16 0.33 3.25 -2.85 -1.02 -4.90 119.74 112.49 1tcx s LYS 43 Ca 0.09 -1.44 -0.18 0.00 -1.00 0.00 0.00 55.97 53.44 1tcx s LYS 43 Cb -0.00 -0.92 -0.09 0.00 -2.06 0.00 0.00 37.83 34.76 1tcx s LYS 43 CO -0.01 0.15 0.80 -1.25 0.10 0.00 0.00 175.35 175.15 1tcx s PRO 44 N -3.37 4.15 -0.04 1.78 0.04 -1.26 -1.04 135.00 135.25 1tcx s PRO 44 Ca 0.17 0.87 -0.11 0.00 0.04 0.00 0.00 61.00 61.96 1tcx s PRO 44 Cb -0.01 -2.48 0.02 0.00 0.04 0.00 0.00 34.50 32.07 1tcx s PRO 44 CO 0.04 0.16 0.26 0.21 0.04 0.00 0.00 177.00 177.71 1tcx s LYS 45 N -2.78 0.49 -0.11 4.56 2.20 -1.09 -4.87 119.74 118.15 1tcx s LYS 45 Ca 0.54 -0.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.13 1tcx s LYS 45 Cb -0.12 0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 36.40 1tcx s LYS 45 CO 0.17 -0.11 -0.11 1.41 -0.36 0.00 0.00 175.35 176.35 1tcx s MET 46 N -0.77 3.19 -0.01 4.03 -2.45 -1.26 -0.50 119.30 121.53 1tcx s MET 46 Ca -0.09 -0.65 0.01 0.00 -1.25 0.00 0.00 55.69 53.72 1tcx s MET 46 Cb -0.05 -2.62 -0.00 0.00 1.25 0.00 0.00 34.83 33.42 1tcx s MET 46 CO 0.02 0.35 -0.04 0.54 1.05 0.00 0.00 175.02 176.94 1tcx s VAL 47 N 0.02 0.30 -0.09 10.11 0.11 -0.53 -4.97 120.40 125.35 1tcx s VAL 47 Ca -0.03 -0.15 0.03 0.00 -2.93 0.00 0.00 61.98 58.90 1tcx s VAL 47 Cb -0.14 -0.27 -0.01 0.00 -1.53 0.00 0.00 36.38 34.43 1tcx s VAL 47 CO 0.04 0.09 -0.19 -0.83 -3.33 0.00 0.00 175.10 170.88 1tcx s GLY 48 N -0.02 1.43 0.00 6.54 0.00 -1.26 -0.73 107.32 113.28 1tcx s GLY 48 Ca 0.01 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.76 1tcx s GLY 48 CO -0.00 -0.47 0.00 0.61 0.00 0.00 0.00 173.10 173.23 1tcx n GLY 49 N 3.10 5.01 0.27 0.20 0.00 0.73 -4.96 105.19 109.53 1tcx n GLY 49 Ca -0.18 -1.82 -0.05 0.00 0.00 0.00 0.00 46.02 43.97 1tcx n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1tcx h ILE 50 N 0.00 1.26 -0.53 -0.61 6.09 -2.02 -3.13 117.51 118.56 1tcx h ILE 50 Ca 0.00 -1.17 0.00 0.00 -1.37 0.00 0.00 64.86 62.32 1tcx h ILE 50 Cb 0.00 1.11 0.00 0.00 0.47 0.00 0.00 36.82 38.40 1tcx h ILE 50 CO 0.00 0.39 0.00 0.61 -3.07 0.00 0.00 178.15 176.08 1tcx n GLY 51 N -0.45 1.72 0.00 8.18 0.00 -1.26 -5.06 105.19 108.33 1tcx n GLY 51 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 1.46 0.41 3.49 -0.02 0.00 -1.18 -5.09 105.19 104.26 1tcx n GLY 52 Ca 0.20 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.42 2.61 0.17 1.61 0.40 -1.26 -0.19 117.98 120.91 1tcx s PHE 53 Ca 0.00 -0.22 0.08 0.00 -0.60 0.00 0.00 56.93 56.19 1tcx s PHE 53 Cb 0.00 -1.45 -0.04 0.00 0.51 0.00 0.00 43.02 42.04 1tcx s PHE 53 CO 0.00 0.32 -0.16 0.96 0.70 0.00 0.00 175.22 177.04 1tcx s ILE 54 N -1.01 1.70 -0.15 0.64 -4.36 0.09 -4.95 121.20 113.16 1tcx s ILE 54 Ca 0.16 -2.01 -0.05 0.00 -0.26 0.00 0.00 60.65 58.49 1tcx s ILE 54 Cb -0.11 -1.88 -0.04 0.00 1.25 0.00 0.00 42.46 41.69 1tcx s ILE 54 CO 0.08 -0.45 0.04 -0.75 0.24 0.00 0.00 174.94 174.10 1tcx s LYS 55 N -3.14 3.61 0.37 0.37 2.36 -1.26 -1.45 119.74 120.60 1tcx s LYS 55 Ca 0.17 -0.35 0.04 0.00 -2.55 0.00 0.00 55.97 53.28 1tcx s LYS 55 Cb -0.03 -3.06 -0.03 0.00 -1.05 0.00 0.00 37.83 33.65 1tcx s LYS 55 CO 0.06 0.45 0.16 0.14 1.55 0.00 0.00 175.35 177.71 1tcx s VAL 56 N -0.15 0.45 -0.13 4.02 -7.23 0.34 -4.69 120.40 113.02 1tcx s VAL 56 Ca 0.06 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.23 1tcx s VAL 56 Cb -0.12 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 1tcx s VAL 56 CO 0.01 0.00 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.57 1tcx s ARG 57 N -3.70 3.35 -0.23 4.82 0.52 -0.36 -2.66 118.95 120.70 1tcx s ARG 57 Ca 0.30 -0.64 -0.11 0.00 -0.52 0.00 0.00 55.73 54.76 1tcx s ARG 57 Cb 0.03 -2.67 -0.05 0.00 0.52 0.00 0.00 34.95 32.78 1tcx s ARG 57 CO 0.17 0.28 0.16 -1.14 0.02 0.00 0.00 175.30 174.79 1tcx s GLN 58 N 0.21 4.11 -0.05 3.54 0.74 -0.20 -0.93 119.66 127.07 1tcx s GLN 58 Ca -0.07 -0.24 0.06 0.00 0.05 0.00 0.00 55.36 55.17 1tcx s GLN 58 Cb -0.15 -3.51 -0.01 0.00 1.10 0.00 0.00 33.01 30.44 1tcx s GLN 58 CO 0.04 0.13 -0.25 0.71 -0.55 0.00 0.00 175.29 175.37 1tcx s TYR 59 N 0.86 2.36 0.17 1.67 1.51 -0.26 -2.44 117.35 121.23 1tcx s TYR 59 Ca 0.08 -0.65 0.05 0.00 -1.01 0.00 0.00 57.07 55.54 1tcx s TYR 59 Cb -0.13 -1.55 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 1tcx s TYR 59 CO 0.03 -0.18 0.12 -0.51 -1.11 0.00 0.00 175.55 173.90 1tcx s ASP 60 N -0.24 5.41 -1.30 2.29 1.01 -1.26 -1.71 116.67 120.88 1tcx s ASP 60 Ca -0.01 -0.17 -0.08 0.00 0.71 0.00 0.00 52.55 53.00 1tcx s ASP 60 Cb -0.13 -1.38 0.01 0.00 1.01 0.00 0.00 42.92 42.43 1tcx s ASP 60 CO 0.03 0.07 1.13 0.00 0.21 0.00 0.00 175.17 176.61 1tcx n GLN 61 N -0.33 -7.60 -3.27 8.23 1.13 -1.04 -4.91 117.38 109.59 1tcx n GLN 61 Ca -0.08 0.81 -0.39 0.00 -1.94 0.00 0.00 57.00 55.40 1tcx n GLN 61 Cb 0.55 -5.79 -0.06 0.00 0.11 0.00 0.00 30.24 25.04 1tcx n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1tcx s ILE 62 N -3.32 4.88 -0.01 5.09 -1.09 0.97 -4.67 121.20 123.06 1tcx s ILE 62 Ca 0.49 1.17 -0.20 0.00 -2.23 0.00 0.00 60.65 59.88 1tcx s ILE 62 Cb -0.22 -3.89 -0.05 0.00 -1.58 0.00 0.00 42.46 36.72 1tcx s ILE 62 CO 0.71 0.48 0.58 -0.22 -1.23 0.00 0.00 174.94 175.26 1tcx s LEU 63 N -0.55 4.41 -0.11 2.97 2.96 -1.26 -0.84 118.68 126.26 1tcx s LEU 63 Ca 0.29 1.14 -0.09 0.00 -0.22 0.00 0.00 54.13 55.25 1tcx s LEU 63 Cb -0.18 -2.90 0.03 0.00 0.50 0.00 0.00 46.19 43.65 1tcx s LEU 63 CO 0.17 0.11 0.29 -0.51 -1.32 0.00 0.00 176.35 175.08 1tcx s ILE 64 N -0.19 -0.01 -0.18 6.68 2.07 -0.56 -4.71 121.20 124.30 1tcx s ILE 64 Ca 0.30 0.04 -0.05 0.00 -1.41 0.00 0.00 60.65 59.54 1tcx s ILE 64 Cb -0.18 -0.42 -0.03 0.00 0.13 0.00 0.00 42.46 41.97 1tcx s ILE 64 CO 0.17 0.02 -0.01 -1.61 -1.91 0.00 0.00 174.94 171.60 1tcx s GLU 65 N 0.52 3.70 -0.23 3.50 2.02 -1.05 -0.30 118.70 126.86 1tcx s GLU 65 Ca -0.03 -0.49 0.02 0.00 0.02 0.00 0.00 54.97 54.49 1tcx s GLU 65 Cb -0.05 -3.02 0.05 0.00 0.10 0.00 0.00 34.13 31.21 1tcx s GLU 65 CO -0.03 0.17 -0.14 0.42 0.02 0.00 0.00 175.26 175.70 1tcx s ILE 66 N 0.59 2.10 -1.43 -1.63 1.01 0.99 -1.78 121.20 121.05 1tcx s ILE 66 Ca -0.01 -1.36 -0.01 0.00 0.00 0.00 0.00 60.65 59.27 1tcx s ILE 66 Cb -0.14 -2.10 0.01 0.00 0.01 0.00 0.00 42.46 40.24 1tcx s ILE 66 CO 0.02 0.18 0.44 0.00 0.00 0.00 0.00 174.94 175.58 1tcx n GLY 68 N -1.95 0.81 3.26 0.00 0.00 -1.26 -5.01 105.19 101.05 1tcx n GLY 68 Ca -0.28 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.09 2.86 -0.08 1.61 4.02 0.30 -5.10 115.29 116.82 1tcx s HIS 69 Ca 0.00 -1.09 -0.26 0.00 1.02 0.00 0.00 55.06 54.73 1tcx s HIS 69 Cb 0.00 -1.98 -0.03 0.00 -1.02 0.00 0.00 32.58 29.55 1tcx s HIS 69 CO 0.00 -0.55 0.82 0.15 1.02 0.00 0.00 174.74 176.18 1tcx s LYS 70 N 1.15 4.43 0.18 1.40 1.02 -1.26 -0.01 119.74 126.65 1tcx s LYS 70 Ca 0.01 1.08 0.10 0.00 0.02 0.00 0.00 55.97 57.19 1tcx s LYS 70 Cb -0.14 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.63 1tcx s LYS 70 CO -0.04 -0.09 -0.22 0.00 -0.92 0.00 0.00 175.35 174.08 1tcx s ALA 71 N 1.28 2.33 -0.18 5.17 0.00 0.59 -4.95 121.76 126.01 1tcx s ALA 71 Ca 0.42 -1.58 -0.05 0.00 0.00 0.00 0.00 51.96 50.75 1tcx s ALA 71 Cb -0.18 -0.28 0.06 0.00 0.00 0.00 0.00 23.12 22.72 1tcx s ALA 71 CO 0.19 0.36 0.09 0.42 0.00 0.00 0.00 175.76 176.82 1tcx s ILE 72 N -1.78 -0.03 0.00 0.00 1.01 -1.25 -1.50 121.20 117.66 1tcx s ILE 72 Ca 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.58 1tcx s ILE 72 Cb -0.07 -0.65 0.00 0.00 0.01 0.00 0.00 42.46 41.75 1tcx s ILE 72 CO 0.09 -0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.32 1tcx n GLY 73 N 5.26 1.96 3.69 6.18 0.00 -0.02 -4.80 105.19 117.46 1tcx n GLY 73 Ca -0.07 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.66 4.85 -0.06 2.61 2.01 -1.26 -0.02 115.64 121.12 1tcx s THR 74 Ca 0.00 1.90 0.04 0.00 0.31 0.00 0.00 61.69 63.94 1tcx s THR 74 Cb 0.00 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 68.26 1tcx s THR 74 CO 0.00 0.07 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.15 1tcx s VAL 75 N 1.66 1.43 -0.13 3.82 1.01 -0.69 -4.55 120.40 122.96 1tcx s VAL 75 Ca 0.46 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 1tcx s VAL 75 Cb -0.19 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1tcx s VAL 75 CO 0.19 0.42 0.09 -0.76 0.00 0.00 0.00 175.10 175.04 1tcx s LEU 76 N 0.28 4.09 -0.05 3.92 1.43 -0.63 -1.10 118.68 126.61 1tcx s LEU 76 Ca -0.09 0.31 0.06 0.00 -1.03 0.00 0.00 54.13 53.38 1tcx s LEU 76 Cb -0.14 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 1tcx s LEU 76 CO 0.04 0.35 -0.24 -0.69 0.23 0.00 0.00 176.35 176.04 1tcx s VAL 77 N -0.67 2.21 -1.29 -1.59 1.01 -0.11 -0.97 120.40 119.00 1tcx s VAL 77 Ca 0.12 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1tcx s VAL 77 Cb -0.12 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1tcx s VAL 77 CO 0.02 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1tcx n GLY 78 N 2.72 -1.50 2.70 4.51 0.00 -0.98 -1.22 105.19 111.42 1tcx n GLY 78 Ca -0.17 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.20 3.00 -3.67 1.61 -0.04 -1.26 -3.69 135.00 130.76 1tcx n PRO 79 Ca 0.00 -2.64 -0.35 0.00 -0.04 0.00 0.00 63.50 60.47 1tcx n PRO 79 Cb 0.00 -3.21 -0.05 0.00 -0.04 0.00 0.00 33.50 30.19 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 2.85 5.20 0.37 0.52 -1.32 -1.26 -4.99 115.64 117.01 1tcx s THR 80 Ca 0.49 0.36 0.32 0.00 -1.21 0.00 0.00 61.69 61.64 1tcx s THR 80 Cb 0.14 -3.60 0.34 0.00 -1.51 0.00 0.00 72.50 67.86 1tcx s THR 80 CO -0.08 0.37 2.09 1.55 -2.21 0.00 0.00 174.62 176.34 1tcx h PRO 81 N 4.02 0.00 -3.26 7.08 0.13 -1.99 -3.45 132.00 134.53 1tcx h PRO 81 Ca -0.50 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 1tcx h PRO 81 Cb 1.20 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 1tcx h PRO 81 CO 0.65 0.08 -0.11 -1.50 -0.23 0.00 0.00 178.00 176.90 1tcx s ILE 82 N -4.02 0.07 0.03 -3.56 2.07 -1.26 -5.09 121.20 109.44 1tcx s ILE 82 Ca -0.02 -0.56 -0.30 0.00 -1.41 0.00 0.00 60.65 58.36 1tcx s ILE 82 Cb 0.12 -1.08 -0.05 0.00 0.13 0.00 0.00 42.46 41.58 1tcx s ILE 82 CO 0.55 -0.31 1.15 0.20 -1.91 0.00 0.00 174.94 174.62 1tcx s ASN 83 N -2.46 7.13 -0.18 4.50 0.01 -1.26 -4.67 114.94 118.01 1tcx s ASN 83 Ca -0.01 1.92 0.00 0.00 -0.71 0.00 0.00 52.86 54.06 1tcx s ASN 83 Cb 0.01 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.10 1tcx s ASN 83 CO -0.08 -0.44 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.28 1tcx s ILE 84 N 1.20 2.45 -0.35 0.60 1.01 0.79 -1.79 121.20 125.11 1tcx s ILE 84 Ca 0.57 -0.82 -0.14 0.00 0.00 0.00 0.00 60.65 60.26 1tcx s ILE 84 Cb -0.27 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 1tcx s ILE 84 CO 0.28 0.51 0.29 -0.63 0.00 0.00 0.00 174.94 175.39 1tcx s ILE 85 N 1.15 5.24 0.72 2.92 -1.09 -0.57 -1.52 121.20 128.05 1tcx s ILE 85 Ca 0.01 -0.16 0.02 0.00 -2.23 0.00 0.00 60.65 58.30 1tcx s ILE 85 Cb -0.14 -3.77 0.14 0.00 -1.58 0.00 0.00 42.46 37.11 1tcx s ILE 85 CO -0.07 -0.06 0.99 -0.83 -1.23 0.00 0.00 174.94 173.74 1tcx s GLY 86 N 1.73 1.73 0.42 6.18 0.00 -1.22 -1.65 107.32 114.50 1tcx s GLY 86 Ca 0.08 -1.96 0.10 0.00 0.00 0.00 0.00 44.72 42.94 1tcx s GLY 86 CO 0.11 -1.35 2.02 3.21 0.00 0.00 0.00 173.10 177.09 1tcx h ARG 87 N -0.46 0.49 -0.31 2.90 3.08 -0.98 -0.75 114.38 118.35 1tcx h ARG 87 Ca -0.33 -0.03 0.08 0.00 0.07 0.00 0.00 59.98 59.78 1tcx h ARG 87 Cb 1.27 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 1tcx h ARG 87 CO 0.37 0.32 0.22 -2.95 -1.07 0.00 0.00 179.97 176.87 1tcx h ASN 88 N 0.51 0.03 0.00 7.04 -1.07 -1.77 -1.63 115.58 118.69 1tcx h ASN 88 Ca 0.21 0.00 -0.32 0.00 0.07 0.00 0.00 56.30 56.26 1tcx h ASN 88 Cb 0.20 -0.01 -0.06 0.00 -2.07 0.00 0.00 38.32 36.39 1tcx h ASN 88 CO -0.06 0.02 -2.19 0.18 0.07 0.00 0.00 177.43 175.45 1tcx n LEU 89 N -4.45 0.28 0.03 6.14 4.77 -0.80 -4.24 117.00 118.73 1tcx n LEU 89 Ca 0.04 -0.01 0.03 0.00 -0.03 0.00 0.00 56.01 56.04 1tcx n LEU 89 Cb 0.37 0.32 0.41 0.00 -2.33 0.00 0.00 43.42 42.19 1tcx n LEU 89 CO 0.35 0.47 1.08 -0.07 -1.33 0.00 0.00 177.39 177.89 1tcx h LEU 90 N 0.00 0.41 -0.92 2.23 3.38 -0.84 -2.49 115.31 117.08 1tcx h LEU 90 Ca -0.47 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.36 1tcx h LEU 90 Cb 2.04 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.67 1tcx h LEU 90 CO 0.02 0.36 -0.53 0.71 0.09 0.00 0.00 178.44 179.09 1tcx h THR 91 N 0.47 1.33 -0.00 0.22 1.35 -1.50 -1.76 112.91 113.02 1tcx h THR 91 Ca 0.12 -1.83 -0.15 0.00 -0.55 0.00 0.00 66.41 63.99 1tcx h THR 91 Cb 0.07 2.00 -0.02 0.00 -1.73 0.00 0.00 68.15 68.47 1tcx h THR 91 CO -0.02 0.52 -0.73 1.56 -0.25 0.00 0.00 175.52 176.60 1tcx h GLN 92 N 0.00 0.02 -0.52 4.72 4.20 -1.62 -3.07 115.11 118.83 1tcx h GLN 92 Ca -0.01 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1tcx h GLN 92 Cb 0.96 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1tcx h GLN 92 CO 0.07 0.74 0.00 0.44 -0.67 0.00 0.00 178.83 179.41 1tcx n ILE 93 N -3.68 0.70 -1.79 2.54 -5.35 -1.15 -4.94 119.36 105.70 1tcx n ILE 93 Ca -0.01 -0.70 -0.01 0.00 -0.27 0.00 0.00 62.75 61.76 1tcx n ILE 93 Cb 0.71 0.36 -0.00 0.00 -1.74 0.00 0.00 39.64 38.97 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 1.34 0.36 3.72 3.28 0.00 -1.14 -5.04 105.19 107.71 1tcx n GLY 94 Ca 0.18 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 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 0.44 1.01 -0.17 0.00 -4.23 -1.26 -4.75 115.64 106.67 1tcx s THR 96 Ca 0.49 -2.03 -0.07 0.00 -1.18 0.00 0.00 61.69 58.89 1tcx s THR 96 Cb -0.22 -2.19 -0.04 0.00 1.34 0.00 0.00 72.50 71.38 1tcx s THR 96 CO 0.29 -0.45 0.08 -0.76 -0.54 0.00 0.00 174.62 173.24 1tcx s LEU 97 N -3.25 3.91 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.17 1tcx s LEU 97 Ca 0.25 0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.50 1tcx s LEU 97 Cb 0.05 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.29 1tcx s LEU 97 CO 0.06 0.21 -0.05 0.20 0.23 0.00 0.00 176.35 176.99 1tcx s ASN 98 N 0.18 0.79 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.77 1tcx s ASN 98 Ca 0.05 -0.11 0.00 0.00 -1.57 0.00 0.00 52.86 51.23 1tcx s ASN 98 Cb -0.12 -0.23 0.00 0.00 -0.02 0.00 0.00 41.25 40.88 1tcx s ASN 98 CO 0.00 0.02 0.00 2.22 -2.57 0.00 0.00 177.10 176.77