#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1npa s GLN 2 N 0.00 3.95 -0.20 0.54 0.74 -1.26 -5.06 119.66 118.37 1npa s GLN 2 Ca 0.00 -0.19 -0.07 0.00 0.05 0.00 0.00 55.36 55.15 1npa s GLN 2 Cb 0.00 -3.67 -0.03 0.00 1.10 0.00 0.00 33.01 30.41 1npa s GLN 2 CO 0.00 -0.24 0.05 0.42 -0.55 0.00 0.00 175.29 174.98 1npa s ILE 3 N 1.89 4.50 0.45 -2.34 1.01 -1.26 -5.11 121.20 120.33 1npa s ILE 3 Ca 0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.59 1npa s ILE 3 Cb -0.16 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 1npa s ILE 3 CO 0.11 0.42 0.73 0.42 0.00 0.00 0.00 174.94 176.61 1npa s THR 4 N 0.80 4.96 -0.25 2.92 -4.23 -1.26 -5.02 115.64 113.56 1npa s THR 4 Ca 0.03 0.03 0.13 0.00 -1.18 0.00 0.00 61.69 60.70 1npa s THR 4 Cb -0.14 -3.86 0.65 0.00 1.34 0.00 0.00 72.50 70.49 1npa s THR 4 CO 0.02 -0.78 1.62 0.18 -0.54 0.00 0.00 174.62 175.12 1npa n LEU 5 N -2.14 4.99 0.15 4.79 4.77 -1.26 -4.37 117.00 123.93 1npa n LEU 5 Ca -0.01 -3.18 0.01 0.00 -0.03 0.00 0.00 56.01 52.80 1npa n LEU 5 Cb 0.55 -0.65 0.32 0.00 -2.33 0.00 0.00 43.42 41.31 1npa n LEU 5 CO 0.52 0.79 0.72 -0.50 -1.33 0.00 0.00 177.39 177.59 1npa h TRP 6 N 2.35 0.12 -2.89 -1.77 4.06 -2.06 -3.44 115.95 112.31 1npa h TRP 6 Ca 0.12 -0.03 -0.45 0.00 2.06 0.00 0.00 58.89 60.60 1npa h TRP 6 Cb 1.88 -0.03 -0.14 0.00 -1.00 0.00 0.00 29.16 29.86 1npa h TRP 6 CO 0.94 0.45 -0.69 -0.65 -3.56 0.00 0.00 178.44 174.93 1npa s GLN 7 N -4.25 1.42 0.22 0.49 1.11 -1.26 -5.10 119.66 112.28 1npa s GLN 7 Ca -0.04 -1.69 -0.32 0.00 0.01 0.00 0.00 55.36 53.32 1npa s GLN 7 Cb 0.14 -0.99 -0.13 0.00 -1.01 0.00 0.00 33.01 31.02 1npa s GLN 7 CO 0.74 0.04 1.58 0.54 0.01 0.00 0.00 175.29 178.21 1npa n ARG 8 N -0.47 2.40 -2.54 2.91 1.74 -1.26 -4.87 116.66 114.57 1npa n ARG 8 Ca -0.06 0.86 -0.42 0.00 -0.77 0.00 0.00 57.85 57.46 1npa n ARG 8 Cb 0.63 -2.63 -0.01 0.00 -1.02 0.00 0.00 32.46 29.43 1npa n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1npa s PRO 9 N 0.36 3.82 0.02 5.56 0.04 -1.26 -4.95 135.00 138.58 1npa s PRO 9 Ca 0.72 -1.77 -0.09 0.00 0.04 0.00 0.00 61.00 59.90 1npa s PRO 9 Cb -0.59 -5.48 -0.05 0.00 0.04 0.00 0.00 34.50 28.41 1npa s PRO 9 CO 0.42 -2.36 0.33 -0.51 0.04 0.00 0.00 177.00 174.92 1npa s LEU 10 N 4.81 4.38 0.18 -3.56 1.43 -1.26 -1.03 118.68 123.64 1npa s LEU 10 Ca 0.53 0.70 -0.03 0.00 -1.03 0.00 0.00 54.13 54.30 1npa s LEU 10 Cb 0.03 -2.71 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 1npa s LEU 10 CO 0.05 0.25 0.17 0.68 0.23 0.00 0.00 176.35 177.73 1npa s VAL 11 N -1.27 0.03 -0.15 -1.59 -7.23 0.55 -4.95 120.40 105.79 1npa s VAL 11 Ca 0.28 -1.83 -0.10 0.00 -1.81 0.00 0.00 61.98 58.51 1npa s VAL 11 Cb -0.14 -2.27 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 1npa s VAL 11 CO 0.15 -0.15 0.20 -0.89 -0.31 0.00 0.00 175.10 174.10 1npa s THR 12 N -4.09 5.38 0.27 5.32 2.01 -1.26 -0.56 115.64 122.71 1npa s THR 12 Ca 0.31 0.35 0.09 0.00 0.31 0.00 0.00 61.69 62.74 1npa s THR 12 Cb 0.06 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 1npa s THR 12 CO 0.08 0.50 -0.13 0.27 -0.69 0.00 0.00 174.62 174.64 1npa s ILE 13 N -0.18 2.02 -0.09 1.82 -4.36 0.49 -3.17 121.20 117.73 1npa s ILE 13 Ca 0.14 -2.25 -0.01 0.00 -0.26 0.00 0.00 60.65 58.28 1npa s ILE 13 Cb -0.12 -2.33 0.03 0.00 1.25 0.00 0.00 42.46 41.28 1npa s ILE 13 CO 0.03 -0.39 -0.04 -0.75 0.24 0.00 0.00 174.94 174.02 1npa s LYS 14 N -3.62 1.12 -0.05 0.37 2.20 -0.99 0.15 119.74 118.92 1npa s LYS 14 Ca 0.28 -0.10 -0.03 0.00 -0.36 0.00 0.00 55.97 55.76 1npa s LYS 14 Cb -0.00 -1.29 0.02 0.00 -1.51 0.00 0.00 37.83 35.05 1npa s LYS 14 CO 0.12 -0.26 0.13 -1.50 -0.36 0.00 0.00 175.35 173.47 1npa s ILE 15 N 1.75 -0.02 -1.71 5.43 2.07 0.24 -2.68 121.20 126.27 1npa s ILE 15 Ca 0.04 0.09 -0.01 0.00 -1.41 0.00 0.00 60.65 59.36 1npa s ILE 15 Cb -0.13 -0.20 0.00 0.00 0.13 0.00 0.00 42.46 42.27 1npa s ILE 15 CO -0.06 0.04 0.11 0.61 -1.91 0.00 0.00 174.94 173.72 1npa n GLY 16 N 3.60 -0.50 1.62 1.50 0.00 -1.26 -2.07 105.19 108.08 1npa n GLY 16 Ca -0.19 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1npa n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1npa n GLY 17 N -1.10 2.47 3.86 -0.02 0.00 -1.26 -5.02 105.19 104.13 1npa n GLY 17 Ca -0.22 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 1npa n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1npa s GLN 18 N 0.00 3.88 0.01 1.61 -2.07 -0.88 -5.07 119.66 117.14 1npa s GLN 18 Ca 0.00 0.49 -0.09 0.00 -1.82 0.00 0.00 55.36 53.94 1npa s GLN 18 Cb 0.00 -2.48 -0.05 0.00 -1.09 0.00 0.00 33.01 29.39 1npa s GLN 18 CO 0.00 0.15 0.31 -0.51 -1.32 0.00 0.00 175.29 173.92 1npa s LEU 19 N -3.20 4.39 0.17 2.60 1.43 -1.26 -0.59 118.68 122.22 1npa s LEU 19 Ca 0.51 0.69 -0.03 0.00 -1.03 0.00 0.00 54.13 54.27 1npa s LEU 19 Cb -0.10 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 1npa s LEU 19 CO 0.22 0.27 0.15 -0.54 0.23 0.00 0.00 176.35 176.69 1npa s LYS 20 N -1.56 1.10 -0.21 1.70 1.02 0.12 -4.96 119.74 116.95 1npa s LYS 20 Ca 0.26 -1.44 -0.07 0.00 0.02 0.00 0.00 55.97 54.75 1npa s LYS 20 Cb -0.14 0.29 -0.03 0.00 -0.52 0.00 0.00 37.83 37.43 1npa s LYS 20 CO 0.14 -0.36 0.04 -2.00 -0.92 0.00 0.00 175.35 172.26 1npa s GLU 21 N -4.07 3.74 0.11 1.68 2.12 -1.26 -0.38 118.70 120.64 1npa s GLU 21 Ca 0.27 -0.45 0.04 0.00 0.36 0.00 0.00 54.97 55.19 1npa s GLU 21 Cb 0.06 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 1npa s GLU 21 CO 0.05 0.03 -0.10 0.00 -0.54 0.00 0.00 175.26 174.69 1npa s ALA 22 N 1.02 1.20 -0.23 6.30 0.00 0.28 -4.41 121.76 125.92 1npa s ALA 22 Ca 0.03 -1.26 -0.10 0.00 0.00 0.00 0.00 51.96 50.63 1npa s ALA 22 Cb -0.14 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 1npa s ALA 22 CO 0.03 -0.05 0.15 -1.17 0.00 0.00 0.00 175.76 174.72 1npa s LEU 23 N -2.61 4.13 -0.23 0.00 2.96 -0.62 -0.33 118.68 121.98 1npa s LEU 23 Ca 0.08 0.14 -0.28 0.00 -0.22 0.00 0.00 54.13 53.85 1npa s LEU 23 Cb -0.02 -2.10 0.01 0.00 0.50 0.00 0.00 46.19 44.59 1npa s LEU 23 CO 0.00 0.10 1.01 -0.76 -1.32 0.00 0.00 176.35 175.38 1npa s LEU 24 N 0.85 4.09 -0.29 -0.68 1.43 -0.19 -1.28 118.68 122.61 1npa s LEU 24 Ca 0.08 1.32 0.01 0.00 -1.03 0.00 0.00 54.13 54.50 1npa s LEU 24 Cb -0.13 -3.49 0.09 0.00 0.03 0.00 0.00 46.19 42.70 1npa s LEU 24 CO 0.03 -0.65 0.05 -0.62 0.23 0.00 0.00 176.35 175.39 1npa s ASP 25 N 1.23 4.11 0.60 2.29 3.68 -0.56 -4.78 116.67 123.24 1npa s ASP 25 Ca 0.43 -1.62 0.38 0.00 2.13 0.00 0.00 52.55 53.86 1npa s ASP 25 Cb -0.15 -1.10 1.83 0.00 -1.45 0.00 0.00 42.92 42.05 1npa s ASP 25 CO 0.06 -0.36 2.16 0.71 0.13 0.00 0.00 175.17 177.87 1npa h THR 26 N 6.56 0.05 0.00 1.71 1.35 -1.95 -2.59 112.91 118.04 1npa h THR 26 Ca -0.12 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1npa h THR 26 Cb 1.03 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1npa h THR 26 CO 0.46 0.01 0.00 1.23 -0.25 0.00 0.00 175.52 176.97 1npa h GLY 27 N 1.09 0.00 -6.35 5.82 0.00 -1.95 -3.45 103.07 98.23 1npa h GLY 27 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1npa h GLY 27 CO 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.52 1npa s ALA 28 N -3.13 3.56 0.17 3.60 0.00 -0.98 -4.97 121.76 120.00 1npa s ALA 28 Ca 0.10 -0.45 -0.09 0.00 0.00 0.00 0.00 51.96 51.52 1npa s ALA 28 Cb 0.11 -2.84 0.02 0.00 0.00 0.00 0.00 23.12 20.41 1npa s ALA 28 CO 0.61 -0.52 1.55 -0.44 0.00 0.00 0.00 175.76 176.95 1npa h ASP 29 N 7.60 0.99 -5.36 0.00 3.45 -1.87 0.17 116.42 121.40 1npa h ASP 29 Ca -0.32 -0.39 -0.44 0.00 0.43 0.00 0.00 57.03 56.31 1npa h ASP 29 Cb 1.15 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 39.61 1npa h ASP 29 CO 0.74 1.18 -0.20 0.47 -1.57 0.00 0.00 179.24 179.86 1npa n ASP 30 N -4.10 2.29 -4.16 6.45 8.00 -1.26 -2.17 116.55 121.59 1npa n ASP 30 Ca -0.00 -2.43 -0.31 0.00 0.71 0.00 0.00 54.79 52.75 1npa n ASP 30 Cb 0.47 -0.06 -0.17 0.00 -0.02 0.00 0.00 41.12 41.35 1npa n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1npa s THR 31 N -2.07 1.94 -0.06 -3.53 2.01 -1.26 -2.52 115.64 110.15 1npa s THR 31 Ca 0.26 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.39 1npa s THR 31 Cb -0.02 -1.70 -0.00 0.00 0.01 0.00 0.00 72.50 70.78 1npa s THR 31 CO 0.16 0.53 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.72 1npa s VAL 32 N 0.66 1.79 0.17 3.82 1.01 -0.61 -0.45 120.40 126.80 1npa s VAL 32 Ca -0.12 -0.91 0.11 0.00 0.00 0.00 0.00 61.98 61.07 1npa s VAL 32 Cb -0.16 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1npa s VAL 32 CO 0.02 0.50 -0.23 -0.76 0.00 0.00 0.00 175.10 174.64 1npa s LEU 33 N 0.04 2.48 0.78 3.92 1.43 0.13 -0.69 118.68 126.77 1npa s LEU 33 Ca -0.07 -0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 52.11 1npa s LEU 33 Cb -0.14 -1.25 0.07 0.00 0.03 0.00 0.00 46.19 44.90 1npa s LEU 33 CO 0.04 0.14 1.14 -1.61 0.23 0.00 0.00 176.35 176.28 1npa s GLU 34 N -2.52 1.99 -0.48 1.70 2.02 -1.26 -1.46 118.70 118.68 1npa s GLU 34 Ca 0.20 1.44 -0.44 0.00 0.02 0.00 0.00 54.97 56.18 1npa s GLU 34 Cb -0.09 -1.85 -0.19 0.00 0.10 0.00 0.00 34.13 32.11 1npa s GLU 34 CO 0.10 -1.88 1.70 0.39 0.02 0.00 0.00 175.26 175.58 1npa n GLU 35 N -3.34 0.00 -3.78 1.61 -0.58 -1.09 -4.53 120.64 108.93 1npa n GLU 35 Ca 0.11 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.77 1npa n GLU 35 Cb 0.52 -1.45 -0.03 0.00 -0.57 0.00 0.00 31.44 29.92 1npa n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1npa s MET 36 N 3.74 1.61 -0.24 3.49 0.23 -1.26 -5.03 119.30 121.85 1npa s MET 36 Ca 1.05 -0.91 -0.10 0.00 -1.03 0.00 0.00 55.69 54.70 1npa s MET 36 Cb -1.45 0.58 -0.05 0.00 -1.53 0.00 0.00 34.83 32.38 1npa s MET 36 CO 0.75 -0.72 0.14 0.45 -2.03 0.00 0.00 175.02 173.61 1npa s SER 37 N -2.90 5.93 0.13 -1.18 0.15 -1.26 -5.01 113.70 109.56 1npa s SER 37 Ca 0.10 0.06 0.08 0.00 0.70 0.00 0.00 55.95 56.90 1npa s SER 37 Cb -0.04 -2.07 -0.04 0.00 -1.71 0.00 0.00 66.02 62.17 1npa s SER 37 CO 0.02 0.06 -0.20 -0.76 1.20 0.00 0.00 173.24 173.57 1npa s LEU 38 N 1.08 2.35 0.69 3.45 1.43 -1.26 -5.05 118.68 121.38 1npa s LEU 38 Ca 0.07 -0.75 -0.09 0.00 -1.03 0.00 0.00 54.13 52.32 1npa s LEU 38 Cb -0.14 -0.85 0.03 0.00 0.03 0.00 0.00 46.19 45.26 1npa s LEU 38 CO 0.04 0.02 1.04 -2.16 0.23 0.00 0.00 176.35 175.52 1npa s PRO 39 N -2.26 2.60 0.00 1.29 0.04 -1.26 -4.95 135.00 130.46 1npa s PRO 39 Ca 0.10 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1npa s PRO 39 Cb -0.08 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1npa s PRO 39 CO 0.05 -1.08 0.00 0.41 0.04 0.00 0.00 177.00 176.43 1npa n GLY 40 N -2.92 0.16 3.94 0.56 0.00 -1.26 -4.99 105.19 100.67 1npa n GLY 40 Ca 0.07 -2.01 -0.20 0.00 0.00 0.00 0.00 46.02 43.87 1npa n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1npa s ARG 41 N -1.05 3.15 0.26 1.61 3.00 -1.26 -5.12 118.95 119.53 1npa s ARG 41 Ca 0.00 -0.97 0.02 0.00 0.00 0.00 0.00 55.73 54.79 1npa s ARG 41 Cb 0.00 -2.76 -0.05 0.00 0.00 0.00 0.00 34.95 32.14 1npa s ARG 41 CO 0.00 0.25 0.06 1.67 0.00 0.00 0.00 175.30 177.28 1npa s TRP 42 N -2.12 1.59 -0.01 -0.53 1.48 -1.26 -4.65 118.94 113.43 1npa s TRP 42 Ca 0.39 -1.08 0.05 0.00 -1.06 0.00 0.00 56.10 54.40 1npa s TRP 42 Cb -0.09 -0.95 -0.01 0.00 -1.16 0.00 0.00 33.47 31.26 1npa s TRP 42 CO 0.29 -0.21 -0.17 0.15 -4.06 0.00 0.00 176.95 172.95 1npa s LYS 43 N -3.96 1.37 0.57 3.25 -0.14 -0.91 -4.89 119.74 115.03 1npa s LYS 43 Ca 0.34 -0.60 -0.17 0.00 -1.36 0.00 0.00 55.97 54.19 1npa s LYS 43 Cb 0.07 -1.32 -0.05 0.00 -1.68 0.00 0.00 37.83 34.85 1npa s LYS 43 CO 0.12 0.36 1.05 -2.14 -0.76 0.00 0.00 175.35 173.98 1npa s PRO 44 N -0.38 3.42 0.04 -1.68 0.02 -1.26 -0.20 135.00 134.96 1npa s PRO 44 Ca 0.06 1.23 -0.22 0.00 0.02 0.00 0.00 61.00 62.10 1npa s PRO 44 Cb -0.07 -2.05 0.05 0.00 0.02 0.00 0.00 34.50 32.46 1npa s PRO 44 CO -0.01 -0.73 0.50 0.21 -0.33 0.00 0.00 177.00 176.65 1npa s LYS 45 N -3.91 1.01 -0.13 5.54 2.20 -0.73 -4.85 119.74 118.86 1npa s LYS 45 Ca 0.64 -0.25 0.02 0.00 -0.36 0.00 0.00 55.97 56.03 1npa s LYS 45 Cb -0.16 0.46 0.00 0.00 -1.51 0.00 0.00 37.83 36.62 1npa s LYS 45 CO 0.33 -0.36 -0.20 -1.64 -0.36 0.00 0.00 175.35 173.13 1npa s MET 46 N -2.41 3.12 0.07 4.03 -1.94 -1.26 -0.79 119.30 120.13 1npa s MET 46 Ca -0.06 -0.81 0.10 0.00 -1.71 0.00 0.00 55.69 53.21 1npa s MET 46 Cb -0.01 -2.48 -0.03 0.00 2.01 0.00 0.00 34.83 34.32 1npa s MET 46 CO -0.01 0.06 -0.27 0.96 -0.01 0.00 0.00 175.02 175.75 1npa s ILE 47 N 0.66 2.17 0.05 2.53 -4.36 -0.23 -4.94 121.20 117.10 1npa s ILE 47 Ca -0.10 -1.52 0.01 0.00 -0.26 0.00 0.00 60.65 58.79 1npa s ILE 47 Cb -0.16 -1.88 -0.03 0.00 1.25 0.00 0.00 42.46 41.64 1npa s ILE 47 CO 0.02 0.27 -0.06 -0.83 0.24 0.00 0.00 174.94 174.58 1npa s GLY 48 N -1.53 0.51 0.00 6.27 0.00 -1.26 -0.40 107.32 110.91 1npa s GLY 48 Ca 0.12 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.90 1npa s GLY 48 CO 0.03 -1.02 0.00 0.61 0.00 0.00 0.00 173.10 172.72 1npa n GLY 49 N 0.91 3.51 3.74 0.20 0.00 -0.53 -4.97 105.19 108.04 1npa n GLY 49 Ca -0.19 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1npa n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1npa s ILE 50 N -0.22 2.76 0.00 -0.61 -1.09 -1.26 -2.10 121.20 118.68 1npa s ILE 50 Ca 0.00 0.61 0.00 0.00 -2.23 0.00 0.00 60.65 59.03 1npa s ILE 50 Cb 0.00 -3.39 0.00 0.00 -1.58 0.00 0.00 42.46 37.49 1npa s ILE 50 CO 0.00 0.08 0.00 0.61 -1.23 0.00 0.00 174.94 174.40 1npa n GLY 51 N 2.65 3.17 0.00 6.18 0.00 -1.26 -4.93 105.19 111.00 1npa n GLY 51 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1npa n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1npa n GLY 52 N -1.07 0.54 3.65 -0.02 0.00 -0.89 -5.09 105.19 102.31 1npa n GLY 52 Ca 0.00 -1.98 -0.28 0.00 0.00 0.00 0.00 46.02 43.77 1npa n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1npa s PHE 53 N -1.38 2.85 0.06 1.61 0.08 -1.26 -1.46 117.98 118.47 1npa s PHE 53 Ca 0.00 -0.12 0.03 0.00 0.12 0.00 0.00 56.93 56.95 1npa s PHE 53 Cb 0.00 -1.41 -0.03 0.00 -0.57 0.00 0.00 43.02 41.01 1npa s PHE 53 CO 0.00 0.50 -0.08 0.96 -0.10 0.00 0.00 175.22 176.49 1npa s ILE 54 N -1.57 0.65 -0.09 0.64 -4.36 0.46 -4.96 121.20 111.96 1npa s ILE 54 Ca 0.26 -1.28 -0.16 0.00 -0.26 0.00 0.00 60.65 59.22 1npa s ILE 54 Cb -0.10 -0.88 -0.05 0.00 1.25 0.00 0.00 42.46 42.69 1npa s ILE 54 CO 0.18 -0.46 0.40 -0.75 0.24 0.00 0.00 174.94 174.55 1npa s LYS 55 N -2.04 4.17 0.21 0.37 2.20 -1.26 -1.06 119.74 122.34 1npa s LYS 55 Ca -0.05 0.33 0.03 0.00 -0.36 0.00 0.00 55.97 55.93 1npa s LYS 55 Cb -0.07 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 1npa s LYS 55 CO -0.00 0.35 -0.01 0.14 -0.36 0.00 0.00 175.35 175.47 1npa s VAL 56 N 0.03 0.98 -0.20 4.02 -7.23 0.03 -4.46 120.40 113.57 1npa s VAL 56 Ca 0.22 -2.03 -0.06 0.00 -1.81 0.00 0.00 61.98 58.31 1npa s VAL 56 Cb -0.15 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 1npa s VAL 56 CO 0.09 -0.38 0.03 -0.13 -0.31 0.00 0.00 175.10 174.40 1npa s ARG 57 N -3.86 3.73 -0.26 4.82 0.52 0.47 -1.78 118.95 122.58 1npa s ARG 57 Ca 0.27 -0.46 -0.15 0.00 -0.52 0.00 0.00 55.73 54.87 1npa s ARG 57 Cb 0.05 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.34 1npa s ARG 57 CO 0.07 0.07 0.36 -1.14 0.02 0.00 0.00 175.30 174.69 1npa s GLN 58 N 0.88 4.03 -0.10 3.54 0.74 0.72 -1.02 119.66 128.43 1npa s GLN 58 Ca 0.02 0.03 0.00 0.00 0.05 0.00 0.00 55.36 55.46 1npa s GLN 58 Cb -0.14 -3.65 -0.02 0.00 1.10 0.00 0.00 33.01 30.30 1npa s GLN 58 CO 0.02 -0.25 -0.10 0.71 -0.55 0.00 0.00 175.29 175.12 1npa s TYR 59 N 1.99 2.85 0.31 1.67 1.51 -0.41 -2.13 117.35 123.13 1npa s TYR 59 Ca 0.15 -0.33 0.07 0.00 -1.01 0.00 0.00 57.07 55.94 1npa s TYR 59 Cb -0.16 -1.79 -0.02 0.00 -0.11 0.00 0.00 41.96 39.88 1npa s TYR 59 CO 0.10 0.02 0.35 -0.51 -1.11 0.00 0.00 175.55 174.40 1npa s ASP 60 N -0.14 5.72 -1.56 2.29 1.01 -1.26 -0.71 116.67 122.02 1npa s ASP 60 Ca 0.00 -0.26 -0.14 0.00 0.71 0.00 0.00 52.55 52.86 1npa s ASP 60 Cb -0.13 -1.27 0.09 0.00 1.01 0.00 0.00 42.92 42.62 1npa s ASP 60 CO 0.03 -0.28 0.91 0.00 0.21 0.00 0.00 175.17 176.04 1npa n GLN 61 N -1.44 -4.94 -3.22 8.23 6.02 -1.19 -4.90 117.38 115.94 1npa n GLN 61 Ca -0.03 0.55 -0.39 0.00 -0.01 0.00 0.00 57.00 57.11 1npa n GLN 61 Cb 0.58 -5.36 -0.06 0.00 1.02 0.00 0.00 30.24 26.42 1npa n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1npa s ILE 62 N -3.34 4.74 -0.21 5.09 -1.09 0.19 -4.74 121.20 121.83 1npa s ILE 62 Ca 0.63 1.28 -0.14 0.00 -2.23 0.00 0.00 60.65 60.19 1npa s ILE 62 Cb -0.32 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.58 1npa s ILE 62 CO 0.85 0.52 0.30 -0.22 -1.23 0.00 0.00 174.94 175.16 1npa s LEU 63 N -0.90 4.16 0.05 2.97 1.98 -1.26 -0.89 118.68 124.79 1npa s LEU 63 Ca 0.30 0.37 0.05 0.00 -2.89 0.00 0.00 54.13 51.97 1npa s LEU 63 Cb -0.20 -2.35 -0.02 0.00 0.66 0.00 0.00 46.19 44.28 1npa s LEU 63 CO 0.19 0.00 -0.14 -0.63 -1.89 0.00 0.00 176.35 173.89 1npa s ILE 64 N 1.07 1.13 -0.22 6.68 1.01 0.26 -4.68 121.20 126.44 1npa s ILE 64 Ca 0.15 -1.12 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 1npa s ILE 64 Cb -0.14 -1.04 -0.01 0.00 0.01 0.00 0.00 42.46 41.28 1npa s ILE 64 CO 0.06 -0.07 -0.03 -1.61 0.00 0.00 0.00 174.94 173.28 1npa s GLU 65 N -1.36 3.40 -0.35 2.79 2.02 -1.09 0.45 118.70 124.55 1npa s GLU 65 Ca 0.00 -0.61 -0.03 0.00 0.02 0.00 0.00 54.97 54.35 1npa s GLU 65 Cb -0.09 -3.04 0.07 0.00 0.10 0.00 0.00 34.13 31.18 1npa s GLU 65 CO 0.02 -0.20 0.11 0.42 0.02 0.00 0.00 175.26 175.63 1npa s ILE 66 N 1.49 3.30 -1.34 -1.63 1.01 0.10 -2.34 121.20 121.80 1npa s ILE 66 Ca 0.06 -1.60 -0.06 0.00 0.00 0.00 0.00 60.65 59.05 1npa s ILE 66 Cb -0.14 -3.04 0.02 0.00 0.01 0.00 0.00 42.46 39.30 1npa s ILE 66 CO -0.03 -0.36 1.02 0.00 0.00 0.00 0.00 174.94 175.57 1npa n GLY 68 N -1.63 2.64 3.62 0.00 0.00 -1.26 -4.95 105.19 103.60 1npa n GLY 68 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 1npa n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1npa s HIS 69 N -0.64 2.47 0.48 1.61 4.02 -0.41 -4.98 115.29 117.85 1npa s HIS 69 Ca 0.00 0.75 -0.21 0.00 1.02 0.00 0.00 55.06 56.61 1npa s HIS 69 Cb 0.00 -4.05 -0.08 0.00 -1.02 0.00 0.00 32.58 27.43 1npa s HIS 69 CO 0.00 -2.04 1.09 0.15 1.02 0.00 0.00 174.74 174.97 1npa s LYS 70 N 4.53 3.74 0.01 1.40 1.02 -1.26 0.01 119.74 129.19 1npa s LYS 70 Ca 0.61 1.55 -0.11 0.00 0.02 0.00 0.00 55.97 58.05 1npa s LYS 70 Cb -0.17 -2.23 0.01 0.00 -0.52 0.00 0.00 37.83 34.92 1npa s LYS 70 CO 0.27 -0.52 0.22 0.00 -0.92 0.00 0.00 175.35 174.41 1npa s ALA 71 N -1.76 -0.50 -0.02 5.17 0.00 0.17 -4.83 121.76 119.99 1npa s ALA 71 Ca 0.66 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.62 1npa s ALA 71 Cb -0.22 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.06 1npa s ALA 71 CO 0.27 -0.28 -0.08 -1.50 0.00 0.00 0.00 175.76 174.17 1npa s ILE 72 N -1.78 0.65 -0.81 0.00 2.07 -1.26 -0.58 121.20 119.49 1npa s ILE 72 Ca -0.11 -0.30 0.00 0.00 -1.41 0.00 0.00 60.65 58.83 1npa s ILE 72 Cb -0.05 -0.58 0.00 0.00 0.13 0.00 0.00 42.46 41.97 1npa s ILE 72 CO 0.01 0.20 0.00 0.61 -1.91 0.00 0.00 174.94 173.85 1npa n GLY 73 N 3.23 -1.28 3.73 1.50 0.00 -0.07 -4.92 105.19 107.38 1npa n GLY 73 Ca -0.17 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 1npa n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1npa s THR 74 N -2.90 3.75 -0.06 2.61 2.01 -1.26 -0.64 115.64 119.15 1npa s THR 74 Ca 0.00 1.39 0.03 0.00 0.31 0.00 0.00 61.69 63.42 1npa s THR 74 Cb 0.00 -3.89 0.01 0.00 0.01 0.00 0.00 72.50 68.63 1npa s THR 74 CO 0.00 0.19 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.30 1npa s VAL 75 N 0.31 1.12 -0.10 3.82 1.01 0.11 -4.52 120.40 122.14 1npa s VAL 75 Ca 0.55 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.98 1npa s VAL 75 Cb -0.31 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1npa s VAL 75 CO 0.34 0.35 0.12 -0.76 0.00 0.00 0.00 175.10 175.14 1npa s LEU 76 N 0.53 4.23 -0.11 3.92 1.43 0.41 -1.29 118.68 127.80 1npa s LEU 76 Ca -0.12 0.39 0.03 0.00 -1.03 0.00 0.00 54.13 53.40 1npa s LEU 76 Cb -0.14 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.01 1npa s LEU 76 CO 0.03 0.39 -0.20 -0.69 0.23 0.00 0.00 176.35 176.11 1npa s VAL 77 N -1.03 1.81 -0.00 -1.59 1.01 -0.19 0.21 120.40 120.61 1npa s VAL 77 Ca 0.16 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 1npa s VAL 77 Cb -0.12 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.68 1npa s VAL 77 CO 0.05 0.50 0.22 0.61 0.00 0.00 0.00 175.10 176.48 1npa n GLY 78 N 3.90 0.55 2.41 4.51 0.00 -0.54 -0.40 105.19 115.63 1npa n GLY 78 Ca -0.20 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 44.82 1npa n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1npa n PRO 79 N -0.16 1.57 -3.19 1.61 -0.04 -1.26 -2.65 135.00 130.88 1npa n PRO 79 Ca 0.01 -0.98 -0.35 0.00 -0.04 0.00 0.00 63.50 62.13 1npa n PRO 79 Cb 0.10 -2.10 -0.06 0.00 -0.04 0.00 0.00 33.50 31.40 1npa n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1npa s THR 80 N 2.63 4.67 0.15 0.52 -1.32 -1.26 -4.97 115.64 116.06 1npa s THR 80 Ca 0.38 1.10 0.26 0.00 -1.21 0.00 0.00 61.69 62.22 1npa s THR 80 Cb 0.14 -3.79 0.27 0.00 -1.51 0.00 0.00 72.50 67.61 1npa s THR 80 CO -0.02 0.18 1.87 -0.65 -2.21 0.00 0.00 174.62 173.79 1npa h PRO 81 N 3.33 0.00 -3.24 7.08 0.11 -1.98 -3.43 132.00 133.87 1npa h PRO 81 Ca -0.48 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 1npa h PRO 81 Cb 1.19 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.10 1npa h PRO 81 CO 0.65 0.17 -0.34 0.54 -0.21 0.00 0.00 178.00 178.81 1npa s VAL 82 N -3.69 0.07 0.17 3.15 0.11 -1.26 -5.09 120.40 113.86 1npa s VAL 82 Ca 0.00 -0.59 -0.30 0.00 -2.93 0.00 0.00 61.98 58.16 1npa s VAL 82 Cb 0.10 -0.62 -0.08 0.00 -1.53 0.00 0.00 36.38 34.26 1npa s VAL 82 CO 0.61 -0.33 1.16 0.20 -3.33 0.00 0.00 175.10 173.42 1npa s ASN 83 N -1.48 7.16 -0.08 3.54 0.01 -1.26 -4.70 114.94 118.13 1npa s ASN 83 Ca -0.12 2.16 0.02 0.00 -0.71 0.00 0.00 52.86 54.20 1npa s ASN 83 Cb -0.05 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.02 1npa s ASN 83 CO 0.02 -0.32 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.55 1npa s ILE 84 N -0.07 1.16 -0.33 0.60 1.01 0.13 -1.58 121.20 122.12 1npa s ILE 84 Ca 0.52 -0.46 -0.11 0.00 0.00 0.00 0.00 60.65 60.60 1npa s ILE 84 Cb -0.31 -1.09 -0.00 0.00 0.01 0.00 0.00 42.46 41.07 1npa s ILE 84 CO 0.36 0.37 0.20 -0.63 0.00 0.00 0.00 174.94 175.23 1npa s ILE 85 N 0.97 4.88 0.25 2.92 -1.09 -0.40 -1.57 121.20 127.15 1npa s ILE 85 Ca -0.09 -0.42 0.01 0.00 -2.23 0.00 0.00 60.65 57.93 1npa s ILE 85 Cb -0.15 -3.53 0.05 0.00 -1.58 0.00 0.00 42.46 37.24 1npa s ILE 85 CO -0.00 -0.02 0.34 0.61 -1.23 0.00 0.00 174.94 174.64 1npa n GLY 86 N 5.04 1.02 0.37 6.18 0.00 -1.05 -1.50 105.19 115.26 1npa n GLY 86 Ca -0.13 -2.03 0.12 0.00 0.00 0.00 0.00 46.02 43.99 1npa n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1npa h ARG 87 N 0.00 0.59 -0.73 1.61 3.08 -0.65 -1.90 114.38 116.36 1npa h ARG 87 Ca -0.11 -0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.02 1npa h ARG 87 Cb 0.43 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 1npa h ARG 87 CO 0.13 0.39 0.49 -2.95 -1.07 0.00 0.00 179.97 176.95 1npa h ASN 88 N 0.60 0.49 0.05 7.04 -1.07 -1.68 -2.60 115.58 118.41 1npa h ASN 88 Ca 0.40 0.02 -0.23 0.00 0.07 0.00 0.00 56.30 56.56 1npa h ASN 88 Cb 0.70 -0.08 -0.04 0.00 -2.07 0.00 0.00 38.32 36.82 1npa h ASN 88 CO -0.16 0.28 -2.19 0.18 0.07 0.00 0.00 177.43 175.61 1npa n LEU 89 N -4.49 0.06 -0.25 6.14 4.77 -0.82 -4.31 117.00 118.11 1npa n LEU 89 Ca 0.13 0.03 -0.07 0.00 -0.03 0.00 0.00 56.01 56.07 1npa n LEU 89 Cb 0.41 0.30 0.04 0.00 -2.33 0.00 0.00 43.42 41.85 1npa n LEU 89 CO 0.33 0.31 0.99 -0.07 -1.33 0.00 0.00 177.39 177.61 1npa h LEU 90 N 0.00 0.97 -1.12 2.23 3.38 -1.12 -2.30 115.31 117.35 1npa h LEU 90 Ca -0.34 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.44 1npa h LEU 90 Cb 1.78 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 42.24 1npa h LEU 90 CO 0.02 0.90 0.51 0.71 0.09 0.00 0.00 178.44 180.67 1npa h THR 91 N 0.98 1.22 -0.01 0.22 1.35 -1.68 -1.16 112.91 113.82 1npa h THR 91 Ca 0.22 -0.47 -0.02 0.00 -0.55 0.00 0.00 66.41 65.59 1npa h THR 91 Cb 0.25 0.05 -0.00 0.00 -1.73 0.00 0.00 68.15 66.72 1npa h THR 91 CO -0.01 0.23 -0.09 1.56 -0.25 0.00 0.00 175.52 176.96 1npa h GLN 92 N 1.13 0.02 -0.67 4.72 1.08 -1.60 -0.69 115.11 119.09 1npa h GLN 92 Ca 0.30 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.50 1npa h GLN 92 Cb -0.07 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1npa h GLN 92 CO -0.06 0.10 0.00 0.44 -0.95 0.00 0.00 178.83 178.37 1npa n ILE 93 N -4.43 1.10 -2.93 2.54 -5.35 -0.99 -4.95 119.36 104.35 1npa n ILE 93 Ca -0.03 -0.95 -0.14 0.00 -0.27 0.00 0.00 62.75 61.37 1npa n ILE 93 Cb 0.17 0.36 0.03 0.00 -1.74 0.00 0.00 39.64 38.46 1npa n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1npa n GLY 94 N 1.45 -0.00 3.73 3.28 0.00 -0.27 -4.99 105.19 108.39 1npa n GLY 94 Ca 0.23 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1npa n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1npa s THR 96 N 0.21 1.14 -0.17 0.00 -4.23 -1.26 -4.66 115.64 106.66 1npa s THR 96 Ca 0.40 -2.05 -0.06 0.00 -1.18 0.00 0.00 61.69 58.80 1npa s THR 96 Cb -0.20 -1.89 -0.04 0.00 1.34 0.00 0.00 72.50 71.71 1npa s THR 96 CO 0.23 -0.71 0.03 -0.22 -0.54 0.00 0.00 174.62 173.41 1npa s LEU 97 N -3.18 3.64 0.00 4.79 2.96 -1.26 -5.09 118.68 120.55 1npa s LEU 97 Ca 0.18 0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.14 1npa s LEU 97 Cb 0.03 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 1npa s LEU 97 CO 0.01 0.18 -0.10 0.20 -1.32 0.00 0.00 176.35 175.32 1npa s ASN 98 N 0.32 1.22 0.00 3.68 -0.87 -1.26 -5.30 114.94 112.73 1npa s ASN 98 Ca 0.01 -0.25 0.00 0.00 -1.57 0.00 0.00 52.86 51.06 1npa s ASN 98 Cb -0.13 -0.12 0.00 0.00 -0.02 0.00 0.00 41.25 40.99 1npa s ASN 98 CO 0.01 0.09 0.00 2.22 -2.57 0.00 0.00 177.10 176.85