#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gno s GLN 2 N 0.00 3.39 -0.17 0.54 0.74 -1.26 -5.08 119.66 117.83 1gno s GLN 2 Ca 0.00 -0.68 -0.01 0.00 0.05 0.00 0.00 55.36 54.72 1gno s GLN 2 Cb 0.00 -3.59 -0.01 0.00 1.10 0.00 0.00 33.01 30.51 1gno s GLN 2 CO 0.00 -0.40 -0.12 0.42 -0.55 0.00 0.00 175.29 174.64 1gno s ILE 3 N 1.63 2.95 0.56 -2.34 1.01 -1.26 -5.09 121.20 118.66 1gno s ILE 3 Ca 0.05 -0.66 -0.10 0.00 0.00 0.00 0.00 60.65 59.94 1gno s ILE 3 Cb -0.17 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 1gno s ILE 3 CO 0.07 0.49 0.94 0.42 0.00 0.00 0.00 174.94 176.87 1gno s THR 4 N 0.91 4.75 -1.62 2.92 -4.23 -1.26 -5.01 115.64 112.11 1gno s THR 4 Ca -0.03 0.71 0.17 0.00 -1.18 0.00 0.00 61.69 61.36 1gno s THR 4 Cb -0.15 -3.85 0.43 0.00 1.34 0.00 0.00 72.50 70.27 1gno s THR 4 CO -0.01 -0.99 1.34 0.18 -0.54 0.00 0.00 174.62 174.60 1gno n LEU 5 N -2.44 3.30 -0.33 4.79 4.77 -1.26 -4.38 117.00 121.45 1gno n LEU 5 Ca 0.04 -1.82 -0.03 0.00 -0.03 0.00 0.00 56.01 54.18 1gno n LEU 5 Cb 0.54 -0.30 0.09 0.00 -2.33 0.00 0.00 43.42 41.42 1gno n LEU 5 CO 0.55 0.79 1.25 -0.50 -1.33 0.00 0.00 177.39 178.15 1gno h TRP 6 N 3.29 1.12 -2.29 -1.77 4.06 -2.05 -3.42 115.95 114.88 1gno h TRP 6 Ca 0.00 0.03 -0.55 0.00 2.06 0.00 0.00 58.89 60.42 1gno h TRP 6 Cb 0.85 -0.38 -0.09 0.00 -1.00 0.00 0.00 29.16 28.54 1gno h TRP 6 CO 0.30 0.69 -0.62 -0.65 -3.56 0.00 0.00 178.44 174.61 1gno s GLN 7 N -6.12 2.45 0.19 0.49 1.11 -1.26 -5.09 119.66 111.42 1gno s GLN 7 Ca -0.13 -1.30 -0.33 0.00 0.01 0.00 0.00 55.36 53.62 1gno s GLN 7 Cb 0.17 -2.28 -0.15 0.00 -1.01 0.00 0.00 33.01 29.74 1gno s GLN 7 CO 0.80 0.38 1.30 0.54 0.01 0.00 0.00 175.29 178.33 1gno n ARG 8 N -0.86 1.56 -2.27 2.91 1.74 -1.26 -4.85 116.66 113.62 1gno n ARG 8 Ca -0.07 0.56 -0.34 0.00 -0.77 0.00 0.00 57.85 57.23 1gno n ARG 8 Cb 0.58 -2.15 -0.04 0.00 -1.02 0.00 0.00 32.46 29.84 1gno n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1gno s PRO 9 N -0.19 3.06 -0.01 5.56 0.04 -1.26 -4.95 135.00 137.25 1gno s PRO 9 Ca 0.73 -1.15 -0.07 0.00 0.04 0.00 0.00 61.00 60.55 1gno s PRO 9 Cb -0.78 -5.29 -0.05 0.00 0.04 0.00 0.00 34.50 28.43 1gno s PRO 9 CO 0.49 -3.11 0.25 -0.51 0.04 0.00 0.00 177.00 174.16 1gno s LEU 10 N 8.10 4.38 0.11 -3.56 1.43 -1.26 -0.12 118.68 127.75 1gno s LEU 10 Ca 0.61 0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 54.26 1gno s LEU 10 Cb -0.01 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 1gno s LEU 10 CO 0.05 0.28 0.01 0.54 0.23 0.00 0.00 176.35 177.45 1gno s VAL 11 N -1.26 0.30 -0.15 -1.59 0.11 0.13 -4.91 120.40 113.03 1gno s VAL 11 Ca 0.26 -1.89 -0.17 0.00 -2.93 0.00 0.00 61.98 57.24 1gno s VAL 11 Cb -0.13 -1.85 -0.04 0.00 -1.53 0.00 0.00 36.38 32.83 1gno s VAL 11 CO 0.15 -0.68 0.44 0.28 -3.33 0.00 0.00 175.10 171.96 1gno s THR 12 N -3.90 5.20 0.15 5.04 -1.32 -1.26 -1.09 115.64 118.47 1gno s THR 12 Ca 0.17 0.86 0.10 0.00 -1.21 0.00 0.00 61.69 61.62 1gno s THR 12 Cb 0.07 -3.78 -0.04 0.00 -1.51 0.00 0.00 72.50 67.24 1gno s THR 12 CO -0.02 0.30 -0.22 0.27 -2.21 0.00 0.00 174.62 172.74 1gno s ILE 13 N 0.84 2.55 -0.22 5.08 -4.36 0.56 -1.83 121.20 123.81 1gno s ILE 13 Ca 0.23 -1.78 -0.03 0.00 -0.26 0.00 0.00 60.65 58.82 1gno s ILE 13 Cb -0.15 -2.19 0.00 0.00 1.25 0.00 0.00 42.46 41.37 1gno s ILE 13 CO 0.09 -0.00 -0.06 -0.75 0.24 0.00 0.00 174.94 174.46 1gno s LYS 14 N -2.38 3.25 -0.07 0.37 2.20 -0.63 -0.79 119.74 121.69 1gno s LYS 14 Ca 0.19 -0.71 -0.00 0.00 -0.36 0.00 0.00 55.97 55.09 1gno s LYS 14 Cb -0.09 -2.98 0.02 0.00 -1.51 0.00 0.00 37.83 33.28 1gno s LYS 14 CO 0.09 -0.24 -0.03 -1.50 -0.36 0.00 0.00 175.35 173.32 1gno s ILE 15 N 1.44 0.55 -1.29 5.43 2.07 -0.27 -1.60 121.20 127.53 1gno s ILE 15 Ca 0.05 -0.04 -0.04 0.00 -1.41 0.00 0.00 60.65 59.20 1gno s ILE 15 Cb -0.15 -0.64 0.00 0.00 0.13 0.00 0.00 42.46 41.81 1gno s ILE 15 CO -0.04 0.27 0.59 0.61 -1.91 0.00 0.00 174.94 174.46 1gno n GLY 16 N 4.72 -0.33 2.46 1.50 0.00 -1.26 -2.16 105.19 110.12 1gno n GLY 16 Ca -0.14 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1gno n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gno n GLY 17 N -1.47 0.31 3.29 -0.02 0.00 -1.26 -5.02 105.19 101.02 1gno n GLY 17 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1gno n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gno s GLN 18 N -0.79 2.61 0.01 1.61 -0.21 -0.92 -5.12 119.66 116.85 1gno s GLN 18 Ca 0.00 -0.88 -0.20 0.00 0.02 0.00 0.00 55.36 54.30 1gno s GLN 18 Cb 0.00 -2.21 -0.06 0.00 1.00 0.00 0.00 33.01 31.75 1gno s GLN 18 CO 0.00 0.38 0.58 -0.51 -2.12 0.00 0.00 175.29 173.62 1gno s LEU 19 N -0.16 4.44 0.15 2.90 1.43 -1.26 -1.12 118.68 125.06 1gno s LEU 19 Ca -0.03 1.16 -0.06 0.00 -1.03 0.00 0.00 54.13 54.17 1gno s LEU 19 Cb -0.14 -2.90 -0.02 0.00 0.03 0.00 0.00 46.19 43.16 1gno s LEU 19 CO 0.04 0.14 0.20 -0.54 0.23 0.00 0.00 176.35 176.42 1gno s LYS 20 N -0.38 1.08 0.02 1.70 1.02 0.03 -4.99 119.74 118.21 1gno s LYS 20 Ca 0.30 -1.29 0.02 0.00 0.02 0.00 0.00 55.97 55.02 1gno s LYS 20 Cb -0.18 0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 37.42 1gno s LYS 20 CO 0.17 -0.36 -0.01 -1.21 -0.92 0.00 0.00 175.35 173.02 1gno s GLU 21 N -4.01 2.72 0.05 1.68 2.02 -1.26 -0.33 118.70 119.58 1gno s GLU 21 Ca 0.21 -0.67 -0.02 0.00 0.02 0.00 0.00 54.97 54.50 1gno s GLU 21 Cb 0.05 -2.63 -0.03 0.00 0.10 0.00 0.00 34.13 31.62 1gno s GLU 21 CO 0.01 0.61 0.02 0.00 0.02 0.00 0.00 175.26 175.91 1gno s ALA 22 N -1.12 0.26 -0.13 5.21 0.00 -0.25 -4.59 121.76 121.14 1gno s ALA 22 Ca 0.21 -0.93 -0.18 0.00 0.00 0.00 0.00 51.96 51.05 1gno s ALA 22 Cb -0.12 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 1gno s ALA 22 CO 0.12 -0.34 0.48 -1.17 0.00 0.00 0.00 175.76 174.85 1gno s LEU 23 N -2.54 4.25 -0.25 0.00 2.96 0.78 0.21 118.68 124.09 1gno s LEU 23 Ca 0.01 0.79 -0.29 0.00 -0.22 0.00 0.00 54.13 54.42 1gno s LEU 23 Cb 0.03 -2.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 1gno s LEU 23 CO -0.08 -0.03 1.74 -0.76 -1.32 0.00 0.00 176.35 175.90 1gno s LEU 24 N 0.82 3.74 -0.24 -0.68 1.02 0.82 -1.12 118.68 123.03 1gno s LEU 24 Ca 0.26 1.57 0.00 0.00 0.02 0.00 0.00 54.13 55.98 1gno s LEU 24 Cb -0.15 -3.53 0.07 0.00 0.02 0.00 0.00 46.19 42.60 1gno s LEU 24 CO 0.10 -1.47 -0.01 -0.62 0.02 0.00 0.00 176.35 174.37 1gno s ASP 25 N 5.23 3.79 0.13 2.29 -1.08 -0.86 -4.76 116.67 121.41 1gno s ASP 25 Ca 0.78 -1.25 0.17 0.00 -0.52 0.00 0.00 52.55 51.72 1gno s ASP 25 Cb -0.25 -1.08 0.73 0.00 -1.46 0.00 0.00 42.92 40.85 1gno s ASP 25 CO 0.32 -0.28 1.51 0.35 0.52 0.00 0.00 175.17 177.59 1gno n THR 26 N 4.72 1.08 1.27 1.71 -2.24 -1.26 -2.53 114.28 117.03 1gno n THR 26 Ca -0.09 0.33 0.13 0.00 -2.27 0.00 0.00 64.05 62.15 1gno n THR 26 Cb 0.44 -1.21 0.37 0.00 -2.10 0.00 0.00 70.33 67.84 1gno n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gno n GLY 27 N -0.35 0.40 3.52 3.38 0.00 -1.26 -4.79 105.19 106.09 1gno n GLY 27 Ca 0.02 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 1gno n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gno s ALA 28 N -1.96 3.49 0.22 4.61 0.00 -1.05 -4.95 121.76 122.13 1gno s ALA 28 Ca 0.35 -1.40 0.15 0.00 0.00 0.00 0.00 51.96 51.05 1gno s ALA 28 Cb 0.20 -2.67 0.52 0.00 0.00 0.00 0.00 23.12 21.17 1gno s ALA 28 CO 0.32 -0.99 1.67 -0.44 0.00 0.00 0.00 175.76 176.32 1gno h ASP 29 N 8.49 0.00 -0.87 0.00 3.32 -1.87 0.71 116.42 126.20 1gno h ASP 29 Ca -0.31 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.08 1gno h ASP 29 Cb 1.15 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.57 1gno h ASP 29 CO 0.64 0.49 -0.51 -1.81 -1.72 0.00 0.00 179.24 176.33 1gno s ASP 30 N -6.65 3.88 -0.18 6.45 1.01 -1.26 -2.51 116.67 117.41 1gno s ASP 30 Ca -0.01 -1.67 -0.04 0.00 0.71 0.00 0.00 52.55 51.54 1gno s ASP 30 Cb 0.12 0.56 -0.02 0.00 1.01 0.00 0.00 42.92 44.58 1gno s ASP 30 CO 0.72 -0.89 -0.02 -0.89 0.21 0.00 0.00 175.17 174.30 1gno s THR 31 N -2.94 3.84 -0.05 -1.27 2.01 -1.26 -1.80 115.64 114.16 1gno s THR 31 Ca 0.08 -0.36 -0.01 0.00 0.31 0.00 0.00 61.69 61.71 1gno s THR 31 Cb 0.01 -2.71 0.03 0.00 0.01 0.00 0.00 72.50 69.84 1gno s THR 31 CO 0.05 0.46 0.01 0.54 -0.69 0.00 0.00 174.62 174.98 1gno s VAL 32 N 0.76 0.25 0.11 3.82 0.11 -0.89 -0.93 120.40 123.63 1gno s VAL 32 Ca -0.01 0.14 0.08 0.00 -2.93 0.00 0.00 61.98 59.26 1gno s VAL 32 Cb -0.14 -0.39 -0.04 0.00 -1.53 0.00 0.00 36.38 34.27 1gno s VAL 32 CO 0.02 0.21 -0.12 -0.76 -3.33 0.00 0.00 175.10 171.11 1gno s LEU 33 N 1.60 2.94 0.94 2.54 1.43 0.14 -1.10 118.68 127.17 1gno s LEU 33 Ca -0.01 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 1gno s LEU 33 Cb -0.13 -1.74 0.09 0.00 0.03 0.00 0.00 46.19 44.44 1gno s LEU 33 CO -0.03 0.18 0.77 -0.62 0.23 0.00 0.00 176.35 176.88 1gno n GLU 34 N 0.71 -0.41 -1.57 1.70 1.02 -1.26 -1.49 120.64 119.34 1gno n GLU 34 Ca -0.14 -0.07 -0.50 0.00 -0.02 0.00 0.00 57.16 56.44 1gno n GLU 34 Cb 0.52 -2.11 -0.04 0.00 -0.02 0.00 0.00 31.44 29.79 1gno n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1gno n GLU 35 N -2.99 1.10 -3.97 3.49 4.07 -1.15 -4.47 120.64 116.72 1gno n GLU 35 Ca 0.09 0.39 -0.11 0.00 -0.06 0.00 0.00 57.16 57.47 1gno n GLU 35 Cb 0.53 -1.91 -0.02 0.00 -0.06 0.00 0.00 31.44 29.98 1gno n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1gno s MET 36 N -0.22 1.94 -0.50 5.31 0.23 -1.26 -5.02 119.30 119.78 1gno s MET 36 Ca 0.76 -1.52 -0.18 0.00 -1.03 0.00 0.00 55.69 53.71 1gno s MET 36 Cb -0.89 0.52 0.06 0.00 -1.53 0.00 0.00 34.83 32.99 1gno s MET 36 CO 0.51 -0.85 0.58 -1.54 -2.03 0.00 0.00 175.02 171.70 1gno s SER 37 N -3.13 6.21 -0.05 -1.18 1.04 -1.26 -5.03 113.70 110.29 1gno s SER 37 Ca 0.23 -1.02 0.05 0.00 0.48 0.00 0.00 55.95 55.68 1gno s SER 37 Cb -0.02 -2.27 -0.00 0.00 0.10 0.00 0.00 66.02 63.83 1gno s SER 37 CO 0.15 -0.85 -0.19 -0.22 0.98 0.00 0.00 173.24 173.10 1gno s LEU 38 N 2.42 1.95 0.18 2.42 2.96 -1.26 -4.95 118.68 122.40 1gno s LEU 38 Ca 0.13 -0.41 -0.22 0.00 -0.22 0.00 0.00 54.13 53.41 1gno s LEU 38 Cb -0.20 -1.10 -0.08 0.00 0.50 0.00 0.00 46.19 45.30 1gno s LEU 38 CO 0.11 0.17 0.73 -2.16 -1.32 0.00 0.00 176.35 173.87 1gno s PRO 39 N 0.06 4.38 0.00 0.98 0.04 -1.26 -4.95 135.00 134.25 1gno s PRO 39 Ca -0.06 0.98 0.00 0.00 0.04 0.00 0.00 61.00 61.96 1gno s PRO 39 Cb -0.13 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1gno s PRO 39 CO 0.03 0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.99 1gno n GLY 40 N 1.22 0.90 3.74 0.56 0.00 -1.26 -5.06 105.19 105.30 1gno n GLY 40 Ca -0.05 -2.13 -0.36 0.00 0.00 0.00 0.00 46.02 43.48 1gno n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1gno s ARG 41 N -1.00 3.60 0.06 1.61 3.52 -1.26 -5.11 118.95 120.37 1gno s ARG 41 Ca 0.00 -0.27 0.05 0.00 -0.13 0.00 0.00 55.73 55.39 1gno s ARG 41 Cb 0.00 -3.14 -0.03 0.00 -1.56 0.00 0.00 34.95 30.22 1gno s ARG 41 CO 0.00 0.55 -0.15 1.67 -0.81 0.00 0.00 175.30 176.56 1gno s TRP 42 N -0.40 1.30 0.03 5.12 1.48 -1.26 -4.64 118.94 120.57 1gno s TRP 42 Ca 0.10 -0.40 -0.07 0.00 -1.06 0.00 0.00 56.10 54.66 1gno s TRP 42 Cb -0.12 -0.75 -0.05 0.00 -1.16 0.00 0.00 33.47 31.39 1gno s TRP 42 CO 0.02 0.06 0.31 0.15 -4.06 0.00 0.00 176.95 173.43 1gno s LYS 43 N -1.47 3.63 0.45 3.25 -0.14 0.11 -4.76 119.74 120.81 1gno s LYS 43 Ca 0.01 -0.01 -0.25 0.00 -1.36 0.00 0.00 55.97 54.36 1gno s LYS 43 Cb -0.09 -3.05 -0.08 0.00 -1.68 0.00 0.00 37.83 32.93 1gno s LYS 43 CO 0.02 0.62 1.31 -2.14 -0.76 0.00 0.00 175.35 174.40 1gno s PRO 44 N -1.82 3.74 0.18 -1.68 0.02 -1.26 0.22 135.00 134.40 1gno s PRO 44 Ca 0.29 2.15 -0.22 0.00 0.02 0.00 0.00 61.00 63.24 1gno s PRO 44 Cb -0.13 -2.59 0.06 0.00 0.02 0.00 0.00 34.50 31.85 1gno s PRO 44 CO 0.17 -0.68 0.61 0.21 -0.33 0.00 0.00 177.00 176.98 1gno s LYS 45 N -2.47 1.37 -0.03 5.54 2.20 -0.18 -4.76 119.74 121.41 1gno s LYS 45 Ca 0.61 -0.58 -0.01 0.00 -0.36 0.00 0.00 55.97 55.63 1gno s LYS 45 Cb -0.38 0.59 0.03 0.00 -1.51 0.00 0.00 37.83 36.56 1gno s LYS 45 CO 0.48 -0.61 0.05 -1.64 -0.36 0.00 0.00 175.35 173.27 1gno s MET 46 N -3.79 -0.03 0.17 4.03 -1.94 -1.26 0.21 119.30 116.69 1gno s MET 46 Ca 0.03 0.26 0.09 0.00 -1.71 0.00 0.00 55.69 54.36 1gno s MET 46 Cb -0.02 -0.30 -0.04 0.00 2.01 0.00 0.00 34.83 36.48 1gno s MET 46 CO -0.09 -0.21 -0.11 0.96 -0.01 0.00 0.00 175.02 175.56 1gno s ILE 47 N 1.35 3.13 0.11 2.53 -4.36 -0.85 -4.97 121.20 118.15 1gno s ILE 47 Ca -0.06 -1.65 0.10 0.00 -0.26 0.00 0.00 60.65 58.78 1gno s ILE 47 Cb -0.13 -2.54 -0.04 0.00 1.25 0.00 0.00 42.46 41.01 1gno s ILE 47 CO -0.03 -0.09 -0.24 -0.83 0.24 0.00 0.00 174.94 173.99 1gno s GLY 48 N -2.75 1.58 0.00 6.27 0.00 -1.26 -0.54 107.32 110.62 1gno s GLY 48 Ca 0.24 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.57 1gno s GLY 48 CO 0.14 -1.35 0.00 0.61 0.00 0.00 0.00 173.10 172.50 1gno n GLY 49 N 1.06 5.57 0.10 0.20 0.00 0.66 -4.99 105.19 107.80 1gno n GLY 49 Ca -0.17 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.70 1gno n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1gno h ILE 50 N 0.00 1.07 -0.54 -0.61 2.04 -2.02 -3.33 117.51 114.12 1gno h ILE 50 Ca 0.00 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.49 1gno h ILE 50 Cb 0.00 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1gno h ILE 50 CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 178.15 179.06 1gno n GLY 51 N 0.82 3.11 0.00 5.37 0.00 -1.26 -5.02 105.19 108.22 1gno n GLY 51 Ca -0.08 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1gno n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gno n GLY 52 N 0.54 0.12 3.33 -0.02 0.00 -1.25 -5.12 105.19 102.79 1gno n GLY 52 Ca 0.27 -1.32 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 1gno n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gno s PHE 53 N -3.45 2.52 0.30 1.61 0.40 -1.26 -0.24 117.98 117.85 1gno s PHE 53 Ca 0.00 -0.54 0.10 0.00 -0.60 0.00 0.00 56.93 55.89 1gno s PHE 53 Cb 0.00 -1.61 -0.05 0.00 0.51 0.00 0.00 43.02 41.87 1gno s PHE 53 CO 0.00 -0.09 -0.07 0.96 0.70 0.00 0.00 175.22 176.72 1gno s ILE 54 N -0.32 2.81 -0.24 0.64 -4.36 0.30 -4.99 121.20 115.05 1gno s ILE 54 Ca 0.02 -2.11 -0.06 0.00 -0.26 0.00 0.00 60.65 58.24 1gno s ILE 54 Cb -0.13 -2.64 -0.02 0.00 1.25 0.00 0.00 42.46 40.92 1gno s ILE 54 CO 0.02 -0.32 0.04 -0.75 0.24 0.00 0.00 174.94 174.17 1gno s LYS 55 N -3.63 3.58 0.48 0.37 2.36 -1.26 -2.01 119.74 119.64 1gno s LYS 55 Ca 0.32 -0.52 0.04 0.00 -2.55 0.00 0.00 55.97 53.26 1gno s LYS 55 Cb -0.03 -3.23 -0.02 0.00 -1.05 0.00 0.00 37.83 33.49 1gno s LYS 55 CO 0.18 -0.18 0.11 0.14 1.55 0.00 0.00 175.35 177.14 1gno s VAL 56 N 1.56 1.59 -0.18 4.02 -7.23 0.55 -4.57 120.40 116.14 1gno s VAL 56 Ca 0.06 -1.86 -0.01 0.00 -1.81 0.00 0.00 61.98 58.37 1gno s VAL 56 Cb -0.15 -2.44 -0.00 0.00 0.56 0.00 0.00 36.38 34.35 1gno s VAL 56 CO 0.02 0.00 -0.13 -0.13 -0.31 0.00 0.00 175.10 174.55 1gno s ARG 57 N -3.93 3.24 -0.19 4.82 1.81 -0.45 -1.01 118.95 123.24 1gno s ARG 57 Ca 0.22 -0.72 -0.21 0.00 -1.72 0.00 0.00 55.73 53.30 1gno s ARG 57 Cb 0.03 -2.73 -0.03 0.00 -0.45 0.00 0.00 34.95 31.77 1gno s ARG 57 CO 0.12 -0.06 0.63 -1.14 -0.68 0.00 0.00 175.30 174.16 1gno s GLN 58 N 1.04 4.22 -0.20 3.54 0.74 0.60 -2.15 119.66 127.46 1gno s GLN 58 Ca -0.01 0.62 -0.02 0.00 0.05 0.00 0.00 55.36 56.00 1gno s GLN 58 Cb -0.15 -3.57 -0.00 0.00 1.10 0.00 0.00 33.01 30.39 1gno s GLN 58 CO -0.03 -0.22 -0.09 0.71 -0.55 0.00 0.00 175.29 175.12 1gno s TYR 59 N 1.83 2.90 0.12 1.67 1.51 -0.67 -0.71 117.35 124.01 1gno s TYR 59 Ca 0.29 -1.04 0.02 0.00 -1.01 0.00 0.00 57.07 55.33 1gno s TYR 59 Cb -0.16 -2.03 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 1gno s TYR 59 CO 0.11 -0.55 0.26 -0.51 -1.11 0.00 0.00 175.55 173.74 1gno s ASP 60 N 1.28 6.33 -1.19 2.29 1.01 -1.26 -0.97 116.67 124.16 1gno s ASP 60 Ca 0.03 0.20 -0.08 0.00 0.71 0.00 0.00 52.55 53.41 1gno s ASP 60 Cb -0.14 -1.91 0.01 0.00 1.01 0.00 0.00 42.92 41.88 1gno s ASP 60 CO -0.04 0.09 1.04 0.00 0.21 0.00 0.00 175.17 176.46 1gno n GLN 61 N -0.28 -6.96 -3.14 8.23 1.13 -1.00 -4.91 117.38 110.45 1gno n GLN 61 Ca -0.06 0.73 -0.39 0.00 -1.94 0.00 0.00 57.00 55.33 1gno n GLN 61 Cb 0.53 -5.47 -0.06 0.00 0.11 0.00 0.00 30.24 25.35 1gno n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gno s ILE 62 N -3.28 4.80 -0.01 5.09 -1.09 0.12 -4.79 121.20 122.04 1gno s ILE 62 Ca 0.49 1.37 -0.21 0.00 -2.23 0.00 0.00 60.65 60.07 1gno s ILE 62 Cb -0.22 -3.99 -0.05 0.00 -1.58 0.00 0.00 42.46 36.63 1gno s ILE 62 CO 0.64 0.43 0.63 -0.22 -1.23 0.00 0.00 174.94 175.19 1gno s LEU 63 N -0.36 4.40 -0.07 2.97 2.96 -1.26 -1.19 118.68 126.13 1gno s LEU 63 Ca 0.33 1.19 -0.05 0.00 -0.22 0.00 0.00 54.13 55.37 1gno s LEU 63 Cb -0.19 -2.98 0.02 0.00 0.50 0.00 0.00 46.19 43.54 1gno s LEU 63 CO 0.19 0.05 0.17 -0.51 -1.32 0.00 0.00 176.35 174.94 1gno s ILE 64 N 0.03 -0.02 -0.16 6.68 2.07 0.10 -4.36 121.20 125.54 1gno s ILE 64 Ca 0.33 0.06 -0.04 0.00 -1.41 0.00 0.00 60.65 59.59 1gno s ILE 64 Cb -0.18 -0.26 -0.03 0.00 0.13 0.00 0.00 42.46 42.12 1gno s ILE 64 CO 0.18 0.02 -0.03 -0.70 -1.91 0.00 0.00 174.94 172.50 1gno s GLU 65 N 0.48 3.68 -0.26 3.50 2.12 -0.63 -0.67 118.70 126.92 1gno s GLU 65 Ca -0.03 -0.51 0.03 0.00 0.36 0.00 0.00 54.97 54.81 1gno s GLU 65 Cb -0.05 -2.95 0.06 0.00 0.26 0.00 0.00 34.13 31.46 1gno s GLU 65 CO -0.02 0.22 -0.08 0.42 -0.54 0.00 0.00 175.26 175.25 1gno s ILE 66 N 0.43 2.02 -1.32 -3.70 1.01 0.51 -1.61 121.20 118.55 1gno s ILE 66 Ca -0.03 -1.60 -0.02 0.00 0.00 0.00 0.00 60.65 58.99 1gno s ILE 66 Cb -0.14 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.14 1gno s ILE 66 CO 0.03 -0.10 0.81 0.00 0.00 0.00 0.00 174.94 175.68 1gno n GLY 68 N -1.54 2.36 3.67 0.00 0.00 -1.26 -4.94 105.19 103.48 1gno n GLY 68 Ca -0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 1gno n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gno s HIS 69 N -0.87 3.15 0.26 1.61 4.02 -0.79 -5.04 115.29 117.62 1gno s HIS 69 Ca 0.00 1.25 -0.23 0.00 1.02 0.00 0.00 55.06 57.09 1gno s HIS 69 Cb 0.00 -3.39 -0.09 0.00 -1.02 0.00 0.00 32.58 28.08 1gno s HIS 69 CO 0.00 -1.13 0.83 0.15 1.02 0.00 0.00 174.74 175.61 1gno s LYS 70 N 2.82 4.45 -0.07 1.40 1.02 -1.26 -0.36 119.74 127.74 1gno s LYS 70 Ca 0.52 1.12 -0.12 0.00 0.02 0.00 0.00 55.97 57.51 1gno s LYS 70 Cb -0.21 -2.90 0.03 0.00 -0.52 0.00 0.00 37.83 34.23 1gno s LYS 70 CO 0.16 0.37 0.30 0.00 -0.92 0.00 0.00 175.35 175.26 1gno s ALA 71 N -1.51 -0.76 -0.10 5.17 0.00 0.16 -4.89 121.76 119.83 1gno s ALA 71 Ca 0.45 0.62 0.04 0.00 0.00 0.00 0.00 51.96 53.07 1gno s ALA 71 Cb -0.18 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.68 1gno s ALA 71 CO 0.23 -0.20 -0.23 0.42 0.00 0.00 0.00 175.76 175.98 1gno s ILE 72 N -0.50 2.13 0.02 0.00 1.01 -1.26 0.01 121.20 122.61 1gno s ILE 72 Ca -0.06 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.57 1gno s ILE 72 Cb -0.04 -1.81 0.01 0.00 0.01 0.00 0.00 42.46 40.63 1gno s ILE 72 CO 0.02 0.56 0.10 0.61 0.00 0.00 0.00 174.94 176.23 1gno n GLY 73 N 3.46 1.24 3.77 6.18 0.00 -0.33 -4.91 105.19 114.61 1gno n GLY 73 Ca -0.19 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 1gno n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gno s THR 74 N -2.52 4.83 -0.08 2.61 2.01 -1.26 0.14 115.64 121.36 1gno s THR 74 Ca 0.02 1.29 0.02 0.00 0.31 0.00 0.00 61.69 63.32 1gno s THR 74 Cb -0.00 -3.95 0.02 0.00 0.01 0.00 0.00 72.50 68.58 1gno s THR 74 CO 0.01 0.45 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.58 1gno s VAL 75 N -0.45 1.19 -0.19 3.82 1.01 -0.14 -4.51 120.40 121.13 1gno s VAL 75 Ca 0.31 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.69 1gno s VAL 75 Cb -0.19 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 1gno s VAL 75 CO 0.18 0.38 0.25 -0.76 0.00 0.00 0.00 175.10 175.15 1gno s LEU 76 N 0.94 4.19 -0.14 3.92 1.43 -0.10 -1.67 118.68 127.26 1gno s LEU 76 Ca -0.09 0.36 -0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1gno s LEU 76 Cb -0.15 -2.28 -0.01 0.00 0.03 0.00 0.00 46.19 43.77 1gno s LEU 76 CO 0.00 0.08 -0.13 -0.69 0.23 0.00 0.00 176.35 175.84 1gno s VAL 77 N 0.73 3.04 -0.67 -1.59 1.01 -0.91 -0.68 120.40 121.33 1gno s VAL 77 Ca 0.13 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1gno s VAL 77 Cb -0.13 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.97 1gno s VAL 77 CO 0.03 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1gno n GLY 78 N 3.63 -0.55 2.29 4.51 0.00 -0.56 -1.34 105.19 113.17 1gno n GLY 78 Ca -0.18 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 44.91 1gno n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gno n PRO 79 N 0.00 2.93 -2.81 1.61 -0.04 -1.26 -2.92 135.00 132.51 1gno n PRO 79 Ca 0.00 -2.06 -0.40 0.00 -0.04 0.00 0.00 63.50 61.00 1gno n PRO 79 Cb 0.00 -2.32 -0.06 0.00 -0.04 0.00 0.00 33.50 31.09 1gno n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1gno s THR 80 N -0.06 4.16 -0.37 0.52 -1.32 -1.26 -4.96 115.64 112.34 1gno s THR 80 Ca 0.63 2.00 0.24 0.00 -1.21 0.00 0.00 61.69 63.35 1gno s THR 80 Cb 0.29 -4.28 0.25 0.00 -1.51 0.00 0.00 72.50 67.25 1gno s THR 80 CO -0.09 0.50 1.73 1.55 -2.21 0.00 0.00 174.62 176.10 1gno h PRO 81 N 4.25 0.00 -2.87 7.08 0.13 -1.98 -3.41 132.00 135.20 1gno h PRO 81 Ca -0.45 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.56 1gno h PRO 81 Cb 1.20 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.11 1gno h PRO 81 CO 0.68 0.00 -0.24 0.08 -0.23 0.00 0.00 178.00 178.29 1gno s VAL 82 N -3.40 0.03 0.13 1.56 1.01 -1.26 -5.08 120.40 113.39 1gno s VAL 82 Ca 0.03 -0.24 -0.31 0.00 0.00 0.00 0.00 61.98 61.46 1gno s VAL 82 Cb 0.09 -0.61 -0.09 0.00 0.00 0.00 0.00 36.38 35.77 1gno s VAL 82 CO 0.37 -0.13 1.54 0.20 0.00 0.00 0.00 175.10 177.08 1gno s ASN 83 N -0.66 6.65 -0.11 3.32 0.01 -1.26 -4.71 114.94 118.18 1gno s ASN 83 Ca -0.08 2.51 0.03 0.00 -0.71 0.00 0.00 52.86 54.62 1gno s ASN 83 Cb -0.04 -2.58 -0.00 0.00 0.41 0.00 0.00 41.25 39.04 1gno s ASN 83 CO 0.03 -0.80 -0.22 -0.63 -1.51 0.00 0.00 177.10 173.97 1gno s ILE 84 N 1.50 2.20 -0.38 0.60 1.01 -0.26 -0.16 121.20 125.71 1gno s ILE 84 Ca 0.70 -0.97 -0.12 0.00 0.00 0.00 0.00 60.65 60.26 1gno s ILE 84 Cb -0.41 -1.85 0.02 0.00 0.01 0.00 0.00 42.46 40.23 1gno s ILE 84 CO 0.31 0.55 0.22 -0.63 0.00 0.00 0.00 174.94 175.40 1gno s ILE 85 N 0.40 4.72 0.00 2.92 -1.09 -0.28 -2.10 121.20 125.77 1gno s ILE 85 Ca -0.17 -0.79 0.00 0.00 -2.23 0.00 0.00 60.65 57.46 1gno s ILE 85 Cb -0.17 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 1gno s ILE 85 CO 0.07 -0.23 0.00 0.61 -1.23 0.00 0.00 174.94 174.16 1gno n GLY 86 N 5.03 1.06 0.23 6.18 0.00 -0.74 -2.03 105.19 114.92 1gno n GLY 86 Ca -0.12 -1.98 0.16 0.00 0.00 0.00 0.00 46.02 44.08 1gno n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1gno h ARG 87 N 0.00 0.00 -0.03 1.61 3.08 -0.89 -0.59 114.38 117.57 1gno h ARG 87 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1gno h ARG 87 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1gno h ARG 87 CO 0.00 0.00 -0.15 -2.95 -1.07 0.00 0.00 179.97 175.80 1gno h ASN 88 N 0.00 0.04 0.01 7.04 -1.07 -1.74 -3.04 115.58 116.82 1gno h ASN 88 Ca 0.00 -0.01 -0.37 0.00 0.07 0.00 0.00 56.30 55.99 1gno h ASN 88 Cb 0.45 -0.01 -0.07 0.00 -2.07 0.00 0.00 38.32 36.62 1gno h ASN 88 CO 0.00 0.20 -2.40 0.18 0.07 0.00 0.00 177.43 175.48 1gno n LEU 89 N -4.34 0.79 0.21 6.14 4.77 -1.05 -4.48 117.00 119.05 1gno n LEU 89 Ca -0.02 -0.03 0.09 0.00 -0.03 0.00 0.00 56.01 56.02 1gno n LEU 89 Cb 0.23 0.12 0.63 0.00 -2.33 0.00 0.00 43.42 42.07 1gno n LEU 89 CO 0.36 0.61 1.09 -0.07 -1.33 0.00 0.00 177.39 178.05 1gno h LEU 90 N 0.00 0.04 -0.26 2.23 3.38 -1.12 0.28 115.31 119.86 1gno h LEU 90 Ca -0.55 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1gno h LEU 90 Cb 2.16 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.90 1gno h LEU 90 CO 0.00 0.03 0.00 0.71 0.09 0.00 0.00 178.44 179.27 1gno h THR 91 N 0.05 0.00 0.23 0.22 1.35 -1.75 -0.16 112.91 112.85 1gno h THR 91 Ca 0.04 -0.64 -0.34 0.00 -0.55 0.00 0.00 66.41 64.91 1gno h THR 91 Cb 0.09 1.61 0.03 0.00 -1.73 0.00 0.00 68.15 68.15 1gno h THR 91 CO -0.00 0.00 -1.59 1.56 -0.25 0.00 0.00 175.52 175.23 1gno h GLN 92 N 0.00 0.48 -0.02 4.72 4.20 -0.68 -3.11 115.11 120.71 1gno h GLN 92 Ca 0.00 -0.83 0.00 0.00 0.06 0.00 0.00 58.65 57.88 1gno h GLN 92 Cb 0.76 0.31 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1gno h GLN 92 CO 0.00 1.40 0.00 0.44 -0.67 0.00 0.00 178.83 180.00 1gno n ILE 93 N -3.67 0.02 -2.51 2.54 -5.35 -1.02 -4.92 119.36 104.46 1gno n ILE 93 Ca -0.20 -0.05 -0.02 0.00 -0.27 0.00 0.00 62.75 62.21 1gno n ILE 93 Cb 1.10 -0.25 0.01 0.00 -1.74 0.00 0.00 39.64 38.75 1gno n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1gno n GLY 94 N 0.94 0.79 3.86 3.28 0.00 -1.15 -5.03 105.19 107.89 1gno n GLY 94 Ca 0.19 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 1gno n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gno s THR 96 N -1.06 0.94 -0.18 0.00 -4.23 -1.26 -4.72 115.64 105.13 1gno s THR 96 Ca 0.19 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.71 1gno s THR 96 Cb -0.14 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.22 1gno s THR 96 CO 0.09 0.00 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.80 1gno s LEU 97 N -3.61 2.16 -0.03 4.79 2.96 -1.26 -5.09 118.68 118.61 1gno s LEU 97 Ca 0.26 -0.73 0.07 0.00 -0.22 0.00 0.00 54.13 53.51 1gno s LEU 97 Cb 0.05 -1.34 -0.02 0.00 0.50 0.00 0.00 46.19 45.38 1gno s LEU 97 CO 0.13 -0.07 -0.23 0.20 -1.32 0.00 0.00 176.35 175.06 1gno s ASN 98 N 1.36 2.76 0.00 3.68 -0.87 -1.26 -5.29 114.94 115.31 1gno s ASN 98 Ca 0.02 -0.43 0.00 0.00 -1.57 0.00 0.00 52.86 50.88 1gno s ASN 98 Cb -0.14 -0.41 0.00 0.00 -0.02 0.00 0.00 41.25 40.68 1gno s ASN 98 CO -0.10 0.27 0.00 2.22 -2.57 0.00 0.00 177.10 176.92