#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 4.06 -0.16 0.54 0.74 -1.26 -5.08 119.66 118.49 1gno s GLN 2 Ca 0.00 -0.27 -0.02 0.00 0.05 0.00 0.00 55.36 55.13 1gno s GLN 2 Cb 0.00 -3.56 -0.01 0.00 1.10 0.00 0.00 33.01 30.54 1gno s GLN 2 CO 0.00 0.03 -0.10 0.42 -0.55 0.00 0.00 175.29 175.09 1gno s ILE 3 N 1.16 3.20 0.40 -2.34 1.01 -1.26 -5.11 121.20 118.26 1gno s ILE 3 Ca 0.08 -0.59 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 1gno s ILE 3 Cb -0.14 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 1gno s ILE 3 CO 0.05 0.49 0.65 0.42 0.00 0.00 0.00 174.94 176.55 1gno s THR 4 N 0.74 5.02 -0.82 2.92 -4.23 -1.26 -5.03 115.64 112.99 1gno s THR 4 Ca -0.04 -0.16 0.17 0.00 -1.18 0.00 0.00 61.69 60.48 1gno s THR 4 Cb -0.15 -3.86 0.76 0.00 1.34 0.00 0.00 72.50 70.60 1gno s THR 4 CO 0.02 -0.67 1.68 0.18 -0.54 0.00 0.00 174.62 175.29 1gno n LEU 5 N -1.93 5.14 0.16 4.79 4.77 -1.26 -4.27 117.00 124.40 1gno n LEU 5 Ca -0.02 -2.63 0.03 0.00 -0.03 0.00 0.00 56.01 53.36 1gno n LEU 5 Cb 0.56 -0.62 0.40 0.00 -2.33 0.00 0.00 43.42 41.43 1gno n LEU 5 CO 0.50 0.75 0.84 -0.50 -1.33 0.00 0.00 177.39 177.65 1gno h TRP 6 N 4.07 0.12 -3.31 -1.77 4.06 -2.06 -3.42 115.95 113.63 1gno h TRP 6 Ca 0.00 -0.02 -0.66 0.00 2.06 0.00 0.00 58.89 60.28 1gno h TRP 6 Cb 1.65 -0.03 -0.18 0.00 -1.00 0.00 0.00 29.16 29.59 1gno h TRP 6 CO 0.89 0.33 -0.81 -0.65 -3.56 0.00 0.00 178.44 174.64 1gno s GLN 7 N -4.53 1.62 0.12 0.49 -1.52 -1.26 -5.08 119.66 109.49 1gno s GLN 7 Ca -0.04 -1.43 -0.35 0.00 -1.95 0.00 0.00 55.36 51.59 1gno s GLN 7 Cb 0.15 -1.93 -0.17 0.00 -0.22 0.00 0.00 33.01 30.85 1gno s GLN 7 CO 0.72 0.42 1.21 0.54 -0.25 0.00 0.00 175.29 177.94 1gno n ARG 8 N 0.37 1.01 -2.39 2.91 1.74 -1.26 -4.83 116.66 114.21 1gno n ARG 8 Ca -0.13 0.36 -0.38 0.00 -0.77 0.00 0.00 57.85 56.93 1gno n ARG 8 Cb 0.55 -1.91 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 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 0.02 3.17 -0.08 5.56 0.04 -1.26 -4.95 135.00 137.50 1gno s PRO 9 Ca 0.80 -0.54 0.02 0.00 0.04 0.00 0.00 61.00 61.32 1gno s PRO 9 Cb -0.94 -4.91 -0.02 0.00 0.04 0.00 0.00 34.50 28.67 1gno s PRO 9 CO 0.50 -2.50 -0.13 -0.51 0.04 0.00 0.00 177.00 174.40 1gno s LEU 10 N 6.69 2.76 0.18 -3.56 1.43 -1.26 -0.20 118.68 124.72 1gno s LEU 10 Ca 0.51 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.41 1gno s LEU 10 Cb -0.05 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 1gno s LEU 10 CO 0.01 0.28 -0.03 0.54 0.23 0.00 0.00 176.35 177.38 1gno s VAL 11 N -0.33 0.91 -0.01 -1.59 0.11 0.03 -4.91 120.40 114.61 1gno s VAL 11 Ca 0.03 -2.01 -0.21 0.00 -2.93 0.00 0.00 61.98 56.85 1gno s VAL 11 Cb -0.13 -2.08 -0.05 0.00 -1.53 0.00 0.00 36.38 32.59 1gno s VAL 11 CO 0.02 -0.53 0.63 -0.89 -3.33 0.00 0.00 175.10 171.00 1gno s THR 12 N -3.50 4.92 0.17 5.04 2.01 -1.26 -0.73 115.64 122.29 1gno s THR 12 Ca 0.22 1.32 0.09 0.00 0.31 0.00 0.00 61.69 63.63 1gno s THR 12 Cb 0.05 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 1gno s THR 12 CO 0.04 0.38 -0.18 0.27 -0.69 0.00 0.00 174.62 174.44 1gno s ILE 13 N 0.03 1.84 -0.19 1.82 -4.36 -0.77 -0.01 121.20 119.56 1gno s ILE 13 Ca 0.33 -1.97 0.01 0.00 -0.26 0.00 0.00 60.65 58.75 1gno s ILE 13 Cb -0.18 -1.89 0.04 0.00 1.25 0.00 0.00 42.46 41.68 1gno s ILE 13 CO 0.18 -0.35 -0.09 -0.75 0.24 0.00 0.00 174.94 174.17 1gno s LYS 14 N -2.91 1.92 -0.07 0.37 2.20 0.37 -0.88 119.74 120.74 1gno s LYS 14 Ca 0.17 -0.77 -0.05 0.00 -0.36 0.00 0.00 55.97 54.97 1gno s LYS 14 Cb -0.05 -2.32 0.03 0.00 -1.51 0.00 0.00 37.83 33.98 1gno s LYS 14 CO 0.07 -0.42 0.18 -1.50 -0.36 0.00 0.00 175.35 173.32 1gno s ILE 15 N 1.45 -0.03 -1.38 5.43 2.07 0.45 -1.10 121.20 128.10 1gno s ILE 15 Ca -0.01 0.10 -0.03 0.00 -1.41 0.00 0.00 60.65 59.30 1gno s ILE 15 Cb -0.16 -0.28 0.02 0.00 0.13 0.00 0.00 42.46 42.17 1gno s ILE 15 CO -0.08 0.04 0.24 0.61 -1.91 0.00 0.00 174.94 173.84 1gno n GLY 16 N 3.69 -0.50 2.50 1.50 0.00 -1.26 -0.06 105.19 111.06 1gno n GLY 16 Ca -0.20 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.09 0.76 3.39 -0.02 0.00 -1.26 -5.01 105.19 101.95 1gno n GLY 17 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.00 1.97 -0.22 1.61 -0.21 0.91 -5.11 119.66 118.60 1gno s GLN 18 Ca 0.00 -1.03 -0.15 0.00 0.02 0.00 0.00 55.36 54.20 1gno s GLN 18 Cb 0.00 -2.08 -0.04 0.00 1.00 0.00 0.00 33.01 31.89 1gno s GLN 18 CO 0.00 0.53 0.38 -0.51 -2.12 0.00 0.00 175.29 173.57 1gno s LEU 19 N -1.22 4.13 0.24 2.90 1.02 -1.26 -0.41 118.68 124.08 1gno s LEU 19 Ca 0.13 0.45 0.01 0.00 0.02 0.00 0.00 54.13 54.73 1gno s LEU 19 Cb -0.10 -2.48 -0.05 0.00 0.02 0.00 0.00 46.19 43.58 1gno s LEU 19 CO 0.03 -0.09 0.09 -0.54 0.02 0.00 0.00 176.35 175.86 1gno s LYS 20 N 1.46 1.35 -0.05 1.70 3.01 -0.06 -5.00 119.74 122.16 1gno s LYS 20 Ca 0.18 -1.72 0.05 0.00 -1.01 0.00 0.00 55.97 53.47 1gno s LYS 20 Cb -0.15 -0.17 -0.02 0.00 -1.01 0.00 0.00 37.83 36.48 1gno s LYS 20 CO 0.08 -0.30 -0.21 -2.00 0.51 0.00 0.00 175.35 173.43 1gno s GLU 21 N -4.05 2.47 0.02 1.68 2.12 -1.26 -1.85 118.70 117.84 1gno s GLU 21 Ca 0.37 -0.83 0.02 0.00 0.36 0.00 0.00 54.97 54.89 1gno s GLU 21 Cb 0.08 -2.23 -0.02 0.00 0.26 0.00 0.00 34.13 32.22 1gno s GLU 21 CO 0.13 0.50 -0.07 0.00 -0.54 0.00 0.00 175.26 175.27 1gno s ALA 22 N -0.43 0.54 0.07 6.30 0.00 0.10 -4.58 121.76 123.76 1gno s ALA 22 Ca 0.04 -0.57 -0.30 0.00 0.00 0.00 0.00 51.96 51.14 1gno s ALA 22 Cb -0.12 -0.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.93 1gno s ALA 22 CO 0.01 0.03 1.13 -1.17 0.00 0.00 0.00 175.76 175.76 1gno s LEU 23 N -1.02 4.40 -0.18 0.00 0.20 0.04 -0.79 118.68 121.32 1gno s LEU 23 Ca -0.05 1.95 -0.27 0.00 0.69 0.00 0.00 54.13 56.45 1gno s LEU 23 Cb -0.07 -3.58 -0.01 0.00 -0.43 0.00 0.00 46.19 42.10 1gno s LEU 23 CO 0.00 -0.36 0.91 -0.76 -0.29 0.00 0.00 176.35 175.85 1gno s LEU 24 N 0.72 4.16 -0.36 -0.68 1.02 0.72 -1.71 118.68 122.55 1gno s LEU 24 Ca 0.55 1.26 0.02 0.00 0.02 0.00 0.00 54.13 55.98 1gno s LEU 24 Cb -0.28 -3.35 0.11 0.00 0.02 0.00 0.00 46.19 42.69 1gno s LEU 24 CO 0.30 -0.48 0.11 -0.62 0.02 0.00 0.00 176.35 175.68 1gno s ASP 25 N 1.18 4.29 0.29 2.29 -1.08 -0.68 -4.79 116.67 118.18 1gno s ASP 25 Ca 0.41 -2.10 0.24 0.00 -0.52 0.00 0.00 52.55 50.57 1gno s ASP 25 Cb -0.16 -1.26 1.07 0.00 -1.46 0.00 0.00 42.92 41.12 1gno s ASP 25 CO 0.11 -0.37 1.71 0.35 0.52 0.00 0.00 175.17 177.50 1gno n THR 26 N 4.28 0.88 0.99 1.71 -2.24 -1.26 -1.87 114.28 116.77 1gno n THR 26 Ca 0.02 0.40 0.05 0.00 -2.27 0.00 0.00 64.05 62.26 1gno n THR 26 Cb 0.40 -1.36 0.14 0.00 -2.10 0.00 0.00 70.33 67.41 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 -0.43 0.50 3.17 3.38 0.00 -1.26 -4.75 105.19 105.79 1gno n GLY 27 Ca 0.01 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.59 2.50 0.31 4.61 0.00 -0.78 -4.98 121.76 121.83 1gno s ALA 28 Ca 0.21 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 50.93 1gno s ALA 28 Cb 0.11 -1.39 0.52 0.00 0.00 0.00 0.00 23.12 22.36 1gno s ALA 28 CO 0.14 -0.49 1.79 -0.44 0.00 0.00 0.00 175.76 176.76 1gno h ASP 29 N 7.97 0.44 -0.68 0.00 3.32 -1.85 0.57 116.42 126.20 1gno h ASP 29 Ca -0.41 -0.12 -0.65 0.00 0.02 0.00 0.00 57.03 55.86 1gno h ASP 29 Cb 1.13 -0.12 -0.12 0.00 0.22 0.00 0.00 39.33 40.45 1gno h ASP 29 CO 0.61 0.63 -0.50 -1.81 -1.72 0.00 0.00 179.24 176.45 1gno s ASP 30 N -6.80 4.18 -0.22 6.45 1.01 -1.26 -2.23 116.67 117.80 1gno s ASP 30 Ca -0.07 -1.51 -0.05 0.00 0.71 0.00 0.00 52.55 51.63 1gno s ASP 30 Cb 0.14 0.29 -0.02 0.00 1.01 0.00 0.00 42.92 44.35 1gno s ASP 30 CO 0.77 -0.80 -0.00 -0.89 0.21 0.00 0.00 175.17 174.46 1gno s THR 31 N -2.82 3.79 -0.12 -1.27 2.01 -1.26 -2.73 115.64 113.24 1gno s THR 31 Ca 0.17 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.82 1gno s THR 31 Cb 0.03 -2.73 0.02 0.00 0.01 0.00 0.00 72.50 69.82 1gno s THR 31 CO 0.09 0.40 -0.12 0.54 -0.69 0.00 0.00 174.62 174.85 1gno s VAL 32 N 1.34 1.32 0.10 3.82 0.11 -0.61 -1.64 120.40 124.83 1gno s VAL 32 Ca 0.04 -0.50 0.09 0.00 -2.93 0.00 0.00 61.98 58.69 1gno s VAL 32 Cb -0.15 -1.26 -0.04 0.00 -1.53 0.00 0.00 36.38 33.41 1gno s VAL 32 CO 0.00 0.41 -0.21 -0.76 -3.33 0.00 0.00 175.10 171.21 1gno s LEU 33 N 1.39 2.54 0.46 2.54 1.43 0.70 -1.18 118.68 126.55 1gno s LEU 33 Ca 0.01 -0.59 -0.21 0.00 -1.03 0.00 0.00 54.13 52.31 1gno s LEU 33 Cb -0.13 -1.43 -0.13 0.00 0.03 0.00 0.00 46.19 44.53 1gno s LEU 33 CO -0.07 0.20 0.34 -1.84 0.23 0.00 0.00 176.35 175.21 1gno n GLU 34 N 1.04 0.35 -1.61 1.70 0.28 -1.26 -1.89 120.64 119.25 1gno n GLU 34 Ca -0.16 0.13 -0.61 0.00 -0.16 0.00 0.00 57.16 56.35 1gno n GLU 34 Cb 0.53 -1.36 -0.08 0.00 1.43 0.00 0.00 31.44 31.95 1gno n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1gno n GLU 35 N 0.76 0.23 -3.56 3.44 4.07 -1.15 -4.52 120.64 119.91 1gno n GLU 35 Ca 0.11 0.08 -0.09 0.00 -0.06 0.00 0.00 57.16 57.21 1gno n GLU 35 Cb 0.42 -1.62 -0.04 0.00 -0.06 0.00 0.00 31.44 30.15 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 1.36 0.60 -0.44 5.31 0.23 -1.26 -5.01 119.30 120.08 1gno s MET 36 Ca 0.96 -0.03 -0.28 0.00 -1.03 0.00 0.00 55.69 55.31 1gno s MET 36 Cb -1.29 0.28 -0.01 0.00 -1.53 0.00 0.00 34.83 32.28 1gno s MET 36 CO 0.65 -0.22 1.65 0.45 -2.03 0.00 0.00 175.02 175.52 1gno s SER 37 N -1.65 5.91 -0.03 -1.18 0.15 -1.26 -4.98 113.70 110.66 1gno s SER 37 Ca 0.02 0.82 0.01 0.00 0.70 0.00 0.00 55.95 57.51 1gno s SER 37 Cb -0.01 -2.53 0.02 0.00 -1.71 0.00 0.00 66.02 61.79 1gno s SER 37 CO -0.03 -1.78 -0.03 -0.22 1.20 0.00 0.00 173.24 172.39 1gno s LEU 38 N 6.85 1.44 0.35 3.45 2.96 -1.26 -4.92 118.68 127.55 1gno s LEU 38 Ca 0.68 -0.07 -0.28 0.00 -0.22 0.00 0.00 54.13 54.24 1gno s LEU 38 Cb -0.16 -0.29 -0.10 0.00 0.50 0.00 0.00 46.19 46.13 1gno s LEU 38 CO 0.29 -0.04 1.33 -2.16 -1.32 0.00 0.00 176.35 174.45 1gno s PRO 39 N 0.68 4.28 0.00 0.98 0.04 -1.26 -4.92 135.00 134.80 1gno s PRO 39 Ca -0.08 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1gno s PRO 39 Cb -0.11 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.41 1gno s PRO 39 CO -0.01 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.17 1gno n GLY 40 N 0.73 -0.10 3.92 0.56 0.00 -1.26 -5.03 105.19 104.01 1gno n GLY 40 Ca 0.01 -2.23 -0.30 0.00 0.00 0.00 0.00 46.02 43.50 1gno n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gno s ARG 41 N 0.00 3.51 0.09 1.61 0.52 -1.26 -5.11 118.95 118.31 1gno s ARG 41 Ca 0.00 -0.32 -0.25 0.00 -0.52 0.00 0.00 55.73 54.64 1gno s ARG 41 Cb 0.00 -2.94 0.07 0.00 0.52 0.00 0.00 34.95 32.60 1gno s ARG 41 CO 0.00 0.52 0.60 1.67 0.02 0.00 0.00 175.30 178.11 1gno s TRP 42 N -1.63 -0.54 -0.05 -0.53 1.48 -1.26 -4.61 118.94 111.80 1gno s TRP 42 Ca 0.37 0.54 0.06 0.00 -1.06 0.00 0.00 56.10 56.02 1gno s TRP 42 Cb -0.12 0.48 -0.01 0.00 -1.16 0.00 0.00 33.47 32.65 1gno s TRP 42 CO 0.27 -0.75 -0.24 0.15 -4.06 0.00 0.00 176.95 172.32 1gno s LYS 43 N -2.90 2.46 0.14 3.25 1.02 -1.02 -4.88 119.74 117.82 1gno s LYS 43 Ca -0.03 -0.88 -0.32 0.00 0.02 0.00 0.00 55.97 54.75 1gno s LYS 43 Cb -0.01 -2.17 -0.12 0.00 -0.52 0.00 0.00 37.83 35.02 1gno s LYS 43 CO -0.05 0.44 1.76 -2.30 -0.92 0.00 0.00 175.35 174.28 1gno n PRO 44 N 2.78 2.63 -4.07 -1.68 -0.02 -1.26 0.16 135.00 133.54 1gno n PRO 44 Ca -0.17 0.95 -0.12 0.00 -2.02 0.00 0.00 63.50 62.15 1gno n PRO 44 Cb 0.52 -2.81 -0.11 0.00 -0.02 0.00 0.00 33.50 31.08 1gno n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1gno s LYS 45 N 1.99 0.56 -0.08 -0.52 2.20 0.53 -4.88 119.74 119.53 1gno s LYS 45 Ca 0.80 -0.87 0.03 0.00 -0.36 0.00 0.00 55.97 55.57 1gno s LYS 45 Cb -0.54 -0.19 -0.02 0.00 -1.51 0.00 0.00 37.83 35.58 1gno s LYS 45 CO 0.37 0.01 -0.17 -1.64 -0.36 0.00 0.00 175.35 173.56 1gno s MET 46 N -2.11 2.84 0.19 4.03 -1.94 -1.26 -0.93 119.30 120.13 1gno s MET 46 Ca -0.06 -0.75 0.09 0.00 -1.71 0.00 0.00 55.69 53.27 1gno s MET 46 Cb -0.06 -2.41 -0.04 0.00 2.01 0.00 0.00 34.83 34.32 1gno s MET 46 CO -0.01 0.41 -0.19 0.96 -0.01 0.00 0.00 175.02 176.17 1gno s ILE 47 N -0.18 2.01 0.24 2.53 -4.36 -0.37 -4.95 121.20 116.13 1gno s ILE 47 Ca -0.01 -2.06 0.10 0.00 -0.26 0.00 0.00 60.65 58.42 1gno s ILE 47 Cb -0.13 -2.00 -0.04 0.00 1.25 0.00 0.00 42.46 41.53 1gno s ILE 47 CO 0.03 -0.33 -0.11 -0.83 0.24 0.00 0.00 174.94 173.95 1gno s GLY 48 N -2.89 1.75 0.00 6.27 0.00 -1.26 0.12 107.32 111.30 1gno s GLY 48 Ca 0.20 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 43.25 1gno s GLY 48 CO 0.09 -1.73 0.00 0.61 0.00 0.00 0.00 173.10 172.07 1gno n GLY 49 N -0.46 4.05 0.33 0.20 0.00 -0.85 -4.98 105.19 103.47 1gno n GLY 49 Ca -0.08 -1.18 -0.00 0.00 0.00 0.00 0.00 46.02 44.76 1gno n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gno h ILE 50 N 0.18 1.20 0.00 -0.61 6.09 -2.01 -2.91 117.51 119.45 1gno h ILE 50 Ca 0.00 -0.48 -0.01 0.00 -1.37 0.00 0.00 64.86 63.00 1gno h ILE 50 Cb 0.00 0.30 -0.00 0.00 0.47 0.00 0.00 36.82 37.59 1gno h ILE 50 CO 0.00 0.22 -0.24 1.23 -3.07 0.00 0.00 178.15 176.29 1gno h GLY 51 N 0.97 0.00 0.00 8.18 0.00 -2.02 -3.50 103.07 106.70 1gno h GLY 51 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1gno h GLY 51 CO -0.04 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.11 1gno n GLY 52 N 1.13 0.97 3.86 4.60 0.00 -1.10 -5.13 105.19 109.52 1gno n GLY 52 Ca 0.03 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 1gno n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1gno s PHE 53 N -2.73 3.45 0.13 1.61 -0.71 -1.26 -2.01 117.98 116.47 1gno s PHE 53 Ca 0.00 0.30 0.07 0.00 -1.04 0.00 0.00 56.93 56.26 1gno s PHE 53 Cb 0.00 -1.79 -0.04 0.00 -1.21 0.00 0.00 43.02 39.98 1gno s PHE 53 CO 0.00 0.61 -0.16 0.96 -1.34 0.00 0.00 175.22 175.29 1gno s ILE 54 N -1.30 1.53 -0.25 -4.49 -4.36 0.12 -4.97 121.20 107.48 1gno s ILE 54 Ca 0.26 -1.72 -0.16 0.00 -0.26 0.00 0.00 60.65 58.77 1gno s ILE 54 Cb -0.12 -1.60 -0.03 0.00 1.25 0.00 0.00 42.46 41.95 1gno s ILE 54 CO 0.18 -0.31 0.43 -0.75 0.24 0.00 0.00 174.94 174.73 1gno s LYS 55 N -2.52 4.08 0.12 0.37 2.47 -1.26 -1.24 119.74 121.76 1gno s LYS 55 Ca 0.10 0.19 0.05 0.00 -1.56 0.00 0.00 55.97 54.74 1gno s LYS 55 Cb -0.06 -3.62 -0.04 0.00 -1.46 0.00 0.00 37.83 32.65 1gno s LYS 55 CO 0.04 -0.24 -0.12 0.14 0.16 0.00 0.00 175.35 175.34 1gno s VAL 56 N 1.95 1.15 -0.12 4.02 -7.23 -0.11 -4.44 120.40 115.63 1gno s VAL 56 Ca 0.18 -1.77 -0.14 0.00 -1.81 0.00 0.00 61.98 58.44 1gno s VAL 56 Cb -0.15 -1.54 -0.05 0.00 0.56 0.00 0.00 36.38 35.19 1gno s VAL 56 CO 0.09 -0.55 0.32 -0.13 -0.31 0.00 0.00 175.10 174.52 1gno s ARG 57 N -2.97 4.11 -0.25 4.82 0.52 -0.65 -0.35 118.95 124.18 1gno s ARG 57 Ca 0.10 0.17 -0.10 0.00 -0.52 0.00 0.00 55.73 55.38 1gno s ARG 57 Cb -0.02 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 1gno s ARG 57 CO 0.01 0.38 0.14 -1.14 0.02 0.00 0.00 175.30 174.71 1gno s GLN 58 N 0.00 3.93 -0.20 3.54 0.74 0.12 -1.69 119.66 126.12 1gno s GLN 58 Ca 0.19 -0.34 -0.05 0.00 0.05 0.00 0.00 55.36 55.21 1gno s GLN 58 Cb -0.14 -3.49 -0.03 0.00 1.10 0.00 0.00 33.01 30.46 1gno s GLN 58 CO 0.06 -0.04 0.00 0.71 -0.55 0.00 0.00 175.29 175.48 1gno s TYR 59 N 1.30 3.06 0.28 1.67 1.51 0.04 -2.44 117.35 122.77 1gno s TYR 59 Ca 0.06 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.76 1gno s TYR 59 Cb -0.14 -2.07 -0.03 0.00 -0.11 0.00 0.00 41.96 39.60 1gno s TYR 59 CO 0.06 -0.18 0.44 -0.51 -1.11 0.00 0.00 175.55 174.25 1gno s ASP 60 N 0.89 6.32 -1.57 2.29 1.11 -1.26 -1.06 116.67 123.39 1gno s ASP 60 Ca 0.01 0.27 -0.12 0.00 0.18 0.00 0.00 52.55 52.89 1gno s ASP 60 Cb -0.14 -1.95 0.09 0.00 1.07 0.00 0.00 42.92 41.99 1gno s ASP 60 CO 0.02 -0.16 0.75 0.00 1.18 0.00 0.00 175.17 176.96 1gno n GLN 61 N -1.49 -3.97 -3.15 8.23 6.02 -0.95 -4.89 117.38 117.19 1gno n GLN 61 Ca -0.07 0.46 -0.39 0.00 -0.01 0.00 0.00 57.00 56.99 1gno n GLN 61 Cb 0.56 -5.08 -0.05 0.00 1.02 0.00 0.00 30.24 26.69 1gno n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1gno s ILE 62 N -3.47 5.09 0.08 5.09 -1.09 0.01 -4.65 121.20 122.25 1gno s ILE 62 Ca 0.51 1.23 -0.31 0.00 -2.23 0.00 0.00 60.65 59.85 1gno s ILE 62 Cb -0.27 -3.95 -0.07 0.00 -1.58 0.00 0.00 42.46 36.59 1gno s ILE 62 CO 0.88 0.25 1.45 -0.22 -1.23 0.00 0.00 174.94 176.07 1gno s LEU 63 N 0.97 4.35 -0.09 2.97 2.96 -1.26 -3.07 118.68 125.51 1gno s LEU 63 Ca 0.32 2.30 0.03 0.00 -0.22 0.00 0.00 54.13 56.57 1gno s LEU 63 Cb -0.16 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1gno s LEU 63 CO 0.14 -0.72 -0.20 -0.63 -1.32 0.00 0.00 176.35 173.62 1gno s ILE 64 N 1.74 1.75 -0.23 6.68 -1.09 -0.47 -4.52 121.20 125.06 1gno s ILE 64 Ca 0.66 -0.84 -0.13 0.00 -2.23 0.00 0.00 60.65 58.12 1gno s ILE 64 Cb -0.36 -1.53 -0.05 0.00 -1.58 0.00 0.00 42.46 38.94 1gno s ILE 64 CO 0.29 0.49 0.26 -1.61 -1.23 0.00 0.00 174.94 173.15 1gno s GLU 65 N 0.45 4.11 -0.25 2.79 2.02 -0.25 -1.91 118.70 125.66 1gno s GLU 65 Ca -0.17 -0.07 -0.00 0.00 0.02 0.00 0.00 54.97 54.74 1gno s GLU 65 Cb -0.17 -3.54 0.03 0.00 0.10 0.00 0.00 34.13 30.55 1gno s GLU 65 CO 0.07 0.01 -0.09 0.42 0.02 0.00 0.00 175.26 175.69 1gno s ILE 66 N 1.21 2.62 -1.25 -1.63 1.01 0.26 -0.47 121.20 122.94 1gno s ILE 66 Ca 0.12 -1.18 -0.18 0.00 0.00 0.00 0.00 60.65 59.42 1gno s ILE 66 Cb -0.14 -2.36 0.01 0.00 0.01 0.00 0.00 42.46 39.98 1gno s ILE 66 CO 0.06 0.17 0.63 0.00 0.00 0.00 0.00 174.94 175.80 1gno n GLY 68 N -1.91 0.10 3.64 0.00 0.00 -1.26 -4.98 105.19 100.77 1gno n GLY 68 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.23 2.98 0.14 1.61 4.02 0.50 -5.06 115.29 118.24 1gno s HIS 69 Ca 0.00 0.02 -0.07 0.00 1.02 0.00 0.00 55.06 56.03 1gno s HIS 69 Cb 0.00 -1.64 -0.06 0.00 -1.02 0.00 0.00 32.58 29.87 1gno s HIS 69 CO 0.00 0.42 0.41 0.15 1.02 0.00 0.00 174.74 176.73 1gno s LYS 70 N -1.49 3.67 0.07 1.40 1.02 -1.26 0.89 119.74 124.04 1gno s LYS 70 Ca 0.18 0.02 -0.17 0.00 0.02 0.00 0.00 55.97 56.02 1gno s LYS 70 Cb -0.11 -2.85 0.03 0.00 -0.52 0.00 0.00 37.83 34.38 1gno s LYS 70 CO 0.09 0.47 0.40 0.00 -0.92 0.00 0.00 175.35 175.38 1gno s ALA 71 N -1.63 -0.95 -0.03 5.17 0.00 -0.80 -4.85 121.76 118.67 1gno s ALA 71 Ca 0.40 0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.57 1gno s ALA 71 Cb -0.12 0.45 -0.01 0.00 0.00 0.00 0.00 23.12 23.44 1gno s ALA 71 CO 0.23 -0.51 -0.17 0.42 0.00 0.00 0.00 175.76 175.73 1gno s ILE 72 N -2.91 1.36 -0.04 0.00 -1.09 -1.26 -1.37 121.20 115.89 1gno s ILE 72 Ca -0.03 -0.70 -0.15 0.00 -2.23 0.00 0.00 60.65 57.54 1gno s ILE 72 Cb 0.00 -1.16 0.05 0.00 -1.58 0.00 0.00 42.46 39.77 1gno s ILE 72 CO -0.05 0.39 0.67 0.61 -1.23 0.00 0.00 174.94 175.33 1gno n GLY 73 N 2.95 0.27 3.73 6.18 0.00 -1.17 -4.90 105.19 112.25 1gno n GLY 73 Ca -0.17 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.02 4.07 -0.04 2.61 2.01 -1.26 -0.81 115.64 120.20 1gno s THR 74 Ca 0.16 1.66 0.03 0.00 0.31 0.00 0.00 61.69 63.86 1gno s THR 74 Cb -0.00 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.45 1gno s THR 74 CO -0.01 0.23 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.32 1gno s VAL 75 N 0.24 1.14 -0.13 3.82 1.01 -0.22 -4.48 120.40 121.76 1gno s VAL 75 Ca 0.52 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 1gno s VAL 75 Cb -0.28 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1gno s VAL 75 CO 0.32 0.34 -0.12 -0.76 0.00 0.00 0.00 175.10 174.88 1gno s LEU 76 N 0.17 2.77 -0.14 3.92 1.43 -0.65 -0.78 118.68 125.40 1gno s LEU 76 Ca -0.05 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 1gno s LEU 76 Cb -0.11 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.49 1gno s LEU 76 CO 0.02 0.17 -0.21 -0.69 0.23 0.00 0.00 176.35 175.86 1gno s VAL 77 N 0.35 2.16 -0.03 -1.59 1.01 -0.68 -0.21 120.40 121.41 1gno s VAL 77 Ca -0.10 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 60.80 1gno s VAL 77 Cb -0.16 -1.86 0.04 0.00 0.00 0.00 0.00 36.38 34.40 1gno s VAL 77 CO 0.05 0.55 0.58 0.61 0.00 0.00 0.00 175.10 176.89 1gno n GLY 78 N 3.99 0.36 1.46 4.51 0.00 -0.79 -1.64 105.19 113.07 1gno n GLY 78 Ca -0.20 -0.91 0.00 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 -0.42 0.62 -2.53 1.61 -0.04 -1.26 -2.91 135.00 130.06 1gno n PRO 79 Ca 0.02 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.10 1gno n PRO 79 Cb 0.25 -1.19 -0.04 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.63 3.65 0.21 0.52 -1.32 -1.26 -4.99 115.64 113.09 1gno s THR 80 Ca 0.00 1.48 -0.04 0.00 -1.21 0.00 0.00 61.69 61.93 1gno s THR 80 Cb 0.00 -3.87 0.01 0.00 -1.51 0.00 0.00 72.50 67.12 1gno s THR 80 CO 0.00 0.22 1.59 1.55 -2.21 0.00 0.00 174.62 175.77 1gno h PRO 81 N 3.28 0.69 -5.20 7.08 0.13 -1.98 -3.42 132.00 132.58 1gno h PRO 81 Ca -0.47 -0.32 -0.36 0.00 -0.87 0.00 0.00 66.00 63.97 1gno h PRO 81 Cb 1.21 -0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.17 1gno h PRO 81 CO 0.65 0.93 -0.74 0.14 -0.23 0.00 0.00 178.00 178.75 1gno s VAL 82 N -4.41 1.20 0.06 1.56 -7.23 -1.26 -5.01 120.40 105.32 1gno s VAL 82 Ca -0.09 -1.84 -0.30 0.00 -1.81 0.00 0.00 61.98 57.94 1gno s VAL 82 Cb 0.12 -1.62 -0.05 0.00 0.56 0.00 0.00 36.38 35.39 1gno s VAL 82 CO 0.84 -0.57 1.09 0.20 -0.31 0.00 0.00 175.10 176.34 1gno s ASN 83 N -2.74 7.25 -0.11 4.85 0.01 -1.26 -4.56 114.94 118.38 1gno s ASN 83 Ca 0.11 1.89 0.01 0.00 -0.71 0.00 0.00 52.86 54.16 1gno s ASN 83 Cb -0.02 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.08 1gno s ASN 83 CO 0.02 -0.32 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.53 1gno s ILE 84 N 0.72 1.36 -0.22 0.60 1.01 -0.32 -0.78 121.20 123.57 1gno s ILE 84 Ca 0.54 -0.54 -0.18 0.00 0.00 0.00 0.00 60.65 60.46 1gno s ILE 84 Cb -0.26 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 1gno s ILE 84 CO 0.30 0.42 0.52 -0.63 0.00 0.00 0.00 174.94 175.54 1gno s ILE 85 N 1.21 5.09 0.00 2.92 -1.09 -0.69 -1.57 121.20 127.07 1gno s ILE 85 Ca -0.03 0.93 0.00 0.00 -2.23 0.00 0.00 60.65 59.32 1gno s ILE 85 Cb -0.14 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 36.90 1gno s ILE 85 CO -0.04 0.15 0.00 0.61 -1.23 0.00 0.00 174.94 174.43 1gno n GLY 86 N 4.04 3.74 0.29 6.18 0.00 -1.11 -1.68 105.19 116.65 1gno n GLY 86 Ca -0.05 -2.15 0.17 0.00 0.00 0.00 0.00 46.02 43.99 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 0.00 1.61 3.08 0.16 -2.74 114.38 116.49 1gno h ARG 87 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1gno h ARG 87 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1gno h ARG 87 CO 0.00 0.05 -0.12 -2.95 -1.07 0.00 0.00 179.97 175.88 1gno h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.71 -2.77 115.58 117.07 1gno h ASN 88 Ca -0.00 0.00 -0.33 0.00 0.07 0.00 0.00 56.30 56.04 1gno h ASN 88 Cb 0.36 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.56 1gno h ASN 88 CO 0.01 0.12 -2.24 0.18 0.07 0.00 0.00 177.43 175.56 1gno n LEU 89 N -3.84 2.67 0.05 6.14 7.99 -1.19 -4.44 117.00 124.37 1gno n LEU 89 Ca -0.02 -0.11 0.13 0.00 -0.01 0.00 0.00 56.01 56.01 1gno n LEU 89 Cb 0.22 -0.64 0.60 0.00 -0.11 0.00 0.00 43.42 43.49 1gno n LEU 89 CO 0.31 0.82 1.15 -0.07 -1.51 0.00 0.00 177.39 178.10 1gno h LEU 90 N 0.00 0.13 -0.62 2.23 3.38 -1.48 0.38 115.31 119.33 1gno h LEU 90 Ca -0.49 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.41 1gno h LEU 90 Cb 1.79 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 1gno h LEU 90 CO -0.07 0.08 -0.37 0.71 0.09 0.00 0.00 178.44 178.89 1gno h THR 91 N 0.15 0.76 0.00 0.22 1.35 -1.72 -2.08 112.91 111.59 1gno h THR 91 Ca 0.18 -1.65 -0.05 0.00 -0.55 0.00 0.00 66.41 64.34 1gno h THR 91 Cb 0.52 2.07 -0.01 0.00 -1.73 0.00 0.00 68.15 69.00 1gno h THR 91 CO -0.03 0.36 -0.24 1.56 -0.25 0.00 0.00 175.52 176.93 1gno h GLN 92 N 0.00 0.00 -0.57 4.72 4.20 -0.47 -2.99 115.11 120.00 1gno h GLN 92 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1gno h GLN 92 Cb 1.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.82 1gno h GLN 92 CO 0.05 0.24 0.00 0.44 -0.67 0.00 0.00 178.83 178.89 1gno n ILE 93 N -3.36 1.50 -1.09 2.54 -5.35 -1.05 -4.97 119.36 107.58 1gno n ILE 93 Ca 0.00 -1.18 -0.03 0.00 -0.27 0.00 0.00 62.75 61.28 1gno n ILE 93 Cb 0.46 0.26 -0.01 0.00 -1.74 0.00 0.00 39.64 38.61 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 0.95 0.62 3.68 3.28 0.00 -1.13 -5.02 105.19 107.58 1gno n GLY 94 Ca 0.22 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 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 2.38 2.16 0.19 0.00 -4.23 -1.26 -4.72 115.64 110.16 1gno s THR 96 Ca 0.53 -2.21 -0.06 0.00 -1.18 0.00 0.00 61.69 58.76 1gno s THR 96 Cb -0.22 -2.13 -0.06 0.00 1.34 0.00 0.00 72.50 71.43 1gno s THR 96 CO 0.19 -0.39 0.46 -0.76 -0.54 0.00 0.00 174.62 173.58 1gno s LEU 97 N -3.18 4.20 -0.03 4.79 2.01 -1.26 -5.09 118.68 120.12 1gno s LEU 97 Ca 0.24 0.71 -0.01 0.00 0.01 0.00 0.00 54.13 55.08 1gno s LEU 97 Cb -0.05 -3.46 0.03 0.00 0.01 0.00 0.00 46.19 42.72 1gno s LEU 97 CO 0.11 -0.03 0.06 0.20 1.01 0.00 0.00 176.35 177.70 1gno s ASN 98 N -2.54 0.08 0.00 2.29 0.01 -1.26 -5.28 114.94 108.24 1gno s ASN 98 Ca 0.44 0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.69 1gno s ASN 98 Cb -0.12 -0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.54 1gno s ASN 98 CO 0.24 -0.14 0.00 2.22 -1.51 0.00 0.00 177.10 177.91