#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ody s GLN 2 N 0.00 3.95 -0.12 0.54 0.74 -1.26 -5.06 119.66 118.44 1ody s GLN 2 Ca 0.00 -0.32 0.01 0.00 0.05 0.00 0.00 55.36 55.10 1ody s GLN 2 Cb 0.00 -3.22 0.02 0.00 1.10 0.00 0.00 33.01 30.90 1ody s GLN 2 CO 0.00 0.32 -0.14 0.08 -0.55 0.00 0.00 175.29 175.00 1ody s VAL 3 N 0.25 1.50 0.50 1.34 1.01 -1.26 -5.14 120.40 118.60 1ody s VAL 3 Ca 0.05 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1ody s VAL 3 Cb -0.12 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.88 1ody s VAL 3 CO 0.00 0.44 0.74 0.42 0.00 0.00 0.00 175.10 176.70 1ody s THR 4 N 1.21 3.62 -0.20 3.92 -4.23 -1.26 -5.04 115.64 113.66 1ody s THR 4 Ca -0.02 -0.44 0.15 0.00 -1.18 0.00 0.00 61.69 60.20 1ody s THR 4 Cb -0.14 -3.36 0.50 0.00 1.34 0.00 0.00 72.50 70.84 1ody s THR 4 CO -0.05 -0.28 1.40 0.18 -0.54 0.00 0.00 174.62 175.34 1ody n LEU 5 N -2.24 3.79 0.26 4.79 4.77 -1.26 -4.47 117.00 122.64 1ody n LEU 5 Ca 0.03 -3.17 0.12 0.00 -0.03 0.00 0.00 56.01 52.97 1ody n LEU 5 Cb 0.58 -0.55 0.72 0.00 -2.33 0.00 0.00 43.42 41.84 1ody n LEU 5 CO 0.48 0.79 0.97 -0.50 -1.33 0.00 0.00 177.39 177.80 1ody h TRP 6 N 1.45 0.00 -2.78 -1.77 4.06 -2.07 -3.42 115.95 111.42 1ody h TRP 6 Ca 0.04 0.00 -0.48 0.00 2.06 0.00 0.00 58.89 60.51 1ody h TRP 6 Cb 1.45 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.46 1ody h TRP 6 CO 0.55 0.12 -0.74 -0.65 -3.56 0.00 0.00 178.44 174.16 1ody s GLN 7 N -4.21 1.39 0.30 0.49 -1.52 -1.26 -5.10 119.66 109.74 1ody s GLN 7 Ca -0.03 -1.61 -0.29 0.00 -1.95 0.00 0.00 55.36 51.48 1ody s GLN 7 Cb 0.13 -1.25 -0.13 0.00 -0.22 0.00 0.00 33.01 31.54 1ody s GLN 7 CO 0.59 0.22 1.30 0.54 -0.25 0.00 0.00 175.29 177.69 1ody n ARG 8 N -0.39 2.02 -2.60 2.91 1.74 -1.26 -4.86 116.66 114.22 1ody n ARG 8 Ca -0.08 0.71 -0.42 0.00 -0.77 0.00 0.00 57.85 57.29 1ody n ARG 8 Cb 0.60 -2.30 -0.02 0.00 -1.02 0.00 0.00 32.46 29.72 1ody n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1ody s PRO 9 N -1.32 3.77 -0.07 5.56 0.04 -1.26 -4.98 135.00 136.74 1ody s PRO 9 Ca 0.60 -1.55 -0.11 0.00 0.04 0.00 0.00 61.00 59.98 1ody s PRO 9 Cb -0.61 -5.41 -0.05 0.00 0.04 0.00 0.00 34.50 28.48 1ody s PRO 9 CO 0.58 -2.20 0.27 -0.51 0.04 0.00 0.00 177.00 175.18 1ody s LEU 10 N 4.47 4.43 0.09 -3.56 1.43 -1.26 -0.09 118.68 124.19 1ody s LEU 10 Ca 0.49 0.70 0.02 0.00 -1.03 0.00 0.00 54.13 54.30 1ody s LEU 10 Cb 0.01 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 1ody s LEU 10 CO -0.02 0.36 -0.06 0.54 0.23 0.00 0.00 176.35 177.39 1ody s VAL 11 N -1.01 0.63 -0.20 -1.59 0.11 -0.03 -4.93 120.40 113.39 1ody s VAL 11 Ca 0.19 -1.81 -0.17 0.00 -2.93 0.00 0.00 61.98 57.26 1ody s VAL 11 Cb -0.14 -1.53 -0.04 0.00 -1.53 0.00 0.00 36.38 33.14 1ody s VAL 11 CO 0.08 -0.82 0.46 -0.89 -3.33 0.00 0.00 175.10 170.60 1ody s THR 12 N -3.36 5.15 0.04 5.04 2.01 -1.26 -1.02 115.64 122.24 1ody s THR 12 Ca 0.09 0.84 0.06 0.00 0.31 0.00 0.00 61.69 62.99 1ody s THR 12 Cb 0.04 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 1ody s THR 12 CO -0.05 0.22 -0.16 0.27 -0.69 0.00 0.00 174.62 174.22 1ody s ILE 13 N 1.43 2.97 -0.15 1.82 -4.36 -0.28 -1.71 121.20 120.93 1ody s ILE 13 Ca 0.22 -1.12 -0.01 0.00 -0.26 0.00 0.00 60.65 59.48 1ody s ILE 13 Cb -0.15 -2.27 -0.01 0.00 1.25 0.00 0.00 42.46 41.28 1ody s ILE 13 CO 0.09 0.33 -0.12 -0.75 0.24 0.00 0.00 174.94 174.74 1ody s LYS 14 N -1.48 3.37 -0.11 0.37 2.20 0.08 -1.28 119.74 122.88 1ody s LYS 14 Ca 0.15 -0.68 -0.06 0.00 -0.36 0.00 0.00 55.97 55.03 1ody s LYS 14 Cb -0.11 -2.71 0.05 0.00 -1.51 0.00 0.00 37.83 33.56 1ody s LYS 14 CO 0.06 0.12 0.26 0.42 -0.36 0.00 0.00 175.35 175.85 1ody s ILE 15 N 0.61 -0.04 -1.41 5.43 1.09 -0.32 -1.61 121.20 124.96 1ody s ILE 15 Ca -0.07 0.14 -0.09 0.00 -1.10 0.00 0.00 60.65 59.53 1ody s ILE 15 Cb -0.15 -0.40 0.04 0.00 -1.06 0.00 0.00 42.46 40.89 1ody s ILE 15 CO 0.03 0.06 1.04 0.61 -0.10 0.00 0.00 174.94 176.58 1ody n GLY 16 N 4.18 -0.48 3.34 6.18 0.00 -1.26 -0.51 105.19 116.63 1ody n GLY 16 Ca -0.25 0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1ody n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ody n GLY 17 N -1.76 0.48 3.60 -0.02 0.00 -1.26 -4.97 105.19 101.26 1ody n GLY 17 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1ody n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ody s GLN 18 N -0.56 2.21 -0.20 1.61 -0.21 0.33 -5.13 119.66 117.71 1ody s GLN 18 Ca 0.00 -1.06 -0.08 0.00 0.02 0.00 0.00 55.36 54.24 1ody s GLN 18 Cb 0.00 -2.31 -0.04 0.00 1.00 0.00 0.00 33.01 31.66 1ody s GLN 18 CO 0.00 0.49 0.08 -0.51 -2.12 0.00 0.00 175.29 173.22 1ody s LEU 19 N -2.47 3.78 0.17 2.90 1.02 -1.26 -1.17 118.68 121.66 1ody s LEU 19 Ca 0.24 0.03 -0.00 0.00 0.02 0.00 0.00 54.13 54.42 1ody s LEU 19 Cb -0.10 -1.97 -0.04 0.00 0.02 0.00 0.00 46.19 44.09 1ody s LEU 19 CO 0.15 0.12 0.06 -0.54 0.02 0.00 0.00 176.35 176.17 1ody s LYS 20 N 0.68 1.10 -0.06 1.70 1.02 -0.40 -5.01 119.74 118.77 1ody s LYS 20 Ca 0.04 -1.55 0.01 0.00 0.02 0.00 0.00 55.97 54.49 1ody s LYS 20 Cb -0.13 0.05 -0.03 0.00 -0.52 0.00 0.00 37.83 37.20 1ody s LYS 20 CO 0.02 -0.26 -0.07 -2.00 -0.92 0.00 0.00 175.35 172.12 1ody s GLU 21 N -4.04 2.72 0.01 1.68 2.12 -1.26 -1.12 118.70 118.81 1ody s GLU 21 Ca 0.29 -0.57 -0.07 0.00 0.36 0.00 0.00 54.97 54.98 1ody s GLU 21 Cb 0.07 -2.58 -0.00 0.00 0.26 0.00 0.00 34.13 31.88 1ody s GLU 21 CO 0.06 0.65 0.12 0.00 -0.54 0.00 0.00 175.26 175.56 1ody s ALA 22 N -0.85 -0.28 -0.19 6.30 0.00 -0.19 -4.54 121.76 122.01 1ody s ALA 22 Ca 0.13 -0.20 -0.19 0.00 0.00 0.00 0.00 51.96 51.70 1ody s ALA 22 Cb -0.11 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1ody s ALA 22 CO 0.03 -0.22 0.56 -1.17 0.00 0.00 0.00 175.76 174.95 1ody s LEU 23 N -1.47 4.16 -0.28 0.00 0.20 -0.75 -0.85 118.68 119.69 1ody s LEU 23 Ca -0.14 0.74 -0.29 0.00 0.69 0.00 0.00 54.13 55.13 1ody s LEU 23 Cb -0.07 -2.77 -0.02 0.00 -0.43 0.00 0.00 46.19 42.90 1ody s LEU 23 CO 0.01 -0.20 1.57 -0.76 -0.29 0.00 0.00 176.35 176.67 1ody s LEU 24 N 1.65 3.78 -0.36 -0.68 1.02 0.87 -1.16 118.68 123.81 1ody s LEU 24 Ca 0.26 1.39 0.04 0.00 0.02 0.00 0.00 54.13 55.84 1ody s LEU 24 Cb -0.16 -3.53 0.10 0.00 0.02 0.00 0.00 46.19 42.62 1ody s LEU 24 CO 0.10 -1.33 0.08 -0.62 0.02 0.00 0.00 176.35 174.60 1ody s ASP 25 N 4.26 4.70 0.54 2.29 -1.08 0.03 -4.76 116.67 122.65 1ody s ASP 25 Ca 0.69 -2.25 0.36 0.00 -0.52 0.00 0.00 52.55 50.82 1ody s ASP 25 Cb -0.22 -1.62 1.71 0.00 -1.46 0.00 0.00 42.92 41.34 1ody s ASP 25 CO 0.29 -0.36 2.07 0.71 0.52 0.00 0.00 175.17 178.40 1ody h THR 26 N 6.47 0.00 -0.50 1.71 1.35 -1.94 -2.07 112.91 117.94 1ody h THR 26 Ca -0.05 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1ody h THR 26 Cb 1.00 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1ody h THR 26 CO 0.54 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 1ody n GLY 27 N -0.50 1.39 3.33 5.82 0.00 -1.26 -4.85 105.19 109.12 1ody n GLY 27 Ca -0.01 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 1ody n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ody s ALA 28 N -1.36 2.78 -0.06 4.61 0.00 -0.78 -4.99 121.76 121.97 1ody s ALA 28 Ca 0.34 -1.10 0.15 0.00 0.00 0.00 0.00 51.96 51.35 1ody s ALA 28 Cb 0.18 -1.60 0.15 0.00 0.00 0.00 0.00 23.12 21.85 1ody s ALA 28 CO 0.22 -0.27 1.48 -0.44 0.00 0.00 0.00 175.76 176.76 1ody h ASP 29 N 7.76 0.00 -2.18 0.00 3.32 -1.89 -1.13 116.42 122.31 1ody h ASP 29 Ca -0.38 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.09 1ody h ASP 29 Cb 1.17 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.59 1ody h ASP 29 CO 0.60 0.54 -0.63 -1.81 -1.72 0.00 0.00 179.24 176.23 1ody s ASP 30 N -6.49 3.43 -0.18 6.45 1.01 -1.26 -2.71 116.67 116.92 1ody s ASP 30 Ca 0.03 -1.31 -0.16 0.00 0.71 0.00 0.00 52.55 51.81 1ody s ASP 30 Cb 0.08 -0.30 -0.04 0.00 1.01 0.00 0.00 42.92 43.67 1ody s ASP 30 CO 0.74 -0.41 0.42 -0.89 0.21 0.00 0.00 175.17 175.24 1ody s THR 31 N -2.84 5.19 -0.04 -1.27 2.01 -1.26 -3.59 115.64 113.84 1ody s THR 31 Ca 0.34 0.77 0.01 0.00 0.31 0.00 0.00 61.69 63.13 1ody s THR 31 Cb 0.07 -3.75 0.02 0.00 0.01 0.00 0.00 72.50 68.85 1ody s THR 31 CO 0.16 0.26 -0.06 0.54 -0.69 0.00 0.00 174.62 174.84 1ody s VAL 32 N 1.19 0.60 0.13 3.82 0.11 -0.87 -1.90 120.40 123.48 1ody s VAL 32 Ca 0.21 -0.18 0.10 0.00 -2.93 0.00 0.00 61.98 59.18 1ody s VAL 32 Cb -0.15 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 1ody s VAL 32 CO 0.08 0.23 -0.23 -0.76 -3.33 0.00 0.00 175.10 171.09 1ody s LEU 33 N 0.73 2.47 1.10 2.54 1.43 0.13 -0.35 118.68 126.73 1ody s LEU 33 Ca -0.10 -0.69 -0.20 0.00 -1.03 0.00 0.00 54.13 52.10 1ody s LEU 33 Cb -0.13 -1.33 0.04 0.00 0.03 0.00 0.00 46.19 44.80 1ody s LEU 33 CO 0.01 0.17 -0.31 -1.84 0.23 0.00 0.00 176.35 174.61 1ody n GLU 34 N 0.79 -1.27 -1.97 1.70 0.28 -1.26 -1.11 120.64 117.81 1ody n GLU 34 Ca -0.16 -0.36 -0.42 0.00 -0.16 0.00 0.00 57.16 56.06 1ody n GLU 34 Cb 0.53 -1.56 -0.03 0.00 1.43 0.00 0.00 31.44 31.82 1ody n GLU 34 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1ody s GLU 35 N -3.15 4.23 0.13 3.44 2.56 -1.08 -4.28 118.70 120.55 1ody s GLU 35 Ca 0.52 2.33 -0.23 0.00 0.00 0.00 0.00 54.97 57.59 1ody s GLU 35 Cb -0.07 -3.15 0.07 0.00 2.00 0.00 0.00 34.13 32.97 1ody s GLU 35 CO 0.66 -0.55 0.58 0.00 -0.56 0.00 0.00 175.26 175.40 1ody s MET 36 N 0.73 1.22 -0.67 4.30 0.23 -1.26 -5.02 119.30 118.82 1ody s MET 36 Ca 0.67 -0.40 -0.26 0.00 -1.03 0.00 0.00 55.69 54.67 1ody s MET 36 Cb -0.43 0.56 -0.05 0.00 -1.53 0.00 0.00 34.83 33.38 1ody s MET 36 CO 0.34 -0.51 2.04 0.45 -2.03 0.00 0.00 175.02 175.32 1ody s SER 37 N -2.53 4.94 -0.01 -1.18 0.15 -1.26 -4.98 113.70 108.83 1ody s SER 37 Ca -0.01 0.22 0.02 0.00 0.70 0.00 0.00 55.95 56.89 1ody s SER 37 Cb -0.01 -2.53 -0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1ody s SER 37 CO -0.10 -2.71 -0.07 -0.22 1.20 0.00 0.00 173.24 171.34 1ody s LEU 38 N 10.49 1.89 0.09 3.45 2.96 -1.26 -4.94 118.68 131.37 1ody s LEU 38 Ca 0.76 -0.14 -0.13 0.00 -0.22 0.00 0.00 54.13 54.41 1ody s LEU 38 Cb -0.12 -0.41 -0.06 0.00 0.50 0.00 0.00 46.19 46.09 1ody s LEU 38 CO 0.15 0.07 0.47 -2.16 -1.32 0.00 0.00 176.35 173.56 1ody s PRO 39 N 0.02 3.88 0.00 0.98 0.04 -1.26 -4.99 135.00 133.67 1ody s PRO 39 Ca 0.00 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1ody s PRO 39 Cb -0.05 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.48 1ody s PRO 39 CO -0.00 0.55 0.00 0.41 0.04 0.00 0.00 177.00 178.00 1ody n GLY 40 N 1.03 0.32 3.61 0.56 0.00 -1.26 -5.01 105.19 104.43 1ody n GLY 40 Ca -0.08 -2.27 -0.38 0.00 0.00 0.00 0.00 46.02 43.29 1ody n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ody s ALA 41 N -1.86 3.56 0.36 4.61 0.00 -1.26 -5.08 121.76 122.08 1ody s ALA 41 Ca 0.00 -0.90 0.09 0.00 0.00 0.00 0.00 51.96 51.15 1ody s ALA 41 Cb 0.00 -2.60 -0.07 0.00 0.00 0.00 0.00 23.12 20.46 1ody s ALA 41 CO 0.00 -0.56 -0.04 1.67 0.00 0.00 0.00 175.76 176.83 1ody s TRP 42 N 1.84 2.47 -0.01 0.00 1.48 -1.26 -4.66 118.94 118.78 1ody s TRP 42 Ca 0.12 -0.53 -0.06 0.00 -1.06 0.00 0.00 56.10 54.57 1ody s TRP 42 Cb -0.16 -1.51 0.00 0.00 -1.16 0.00 0.00 33.47 30.64 1ody s TRP 42 CO 0.10 0.52 0.13 -1.59 -4.06 0.00 0.00 176.95 172.04 1ody s LYS 43 N -3.67 0.38 0.69 3.25 -2.85 0.61 -4.86 119.74 113.29 1ody s LYS 43 Ca 0.34 -0.22 -0.16 0.00 -1.00 0.00 0.00 55.97 54.92 1ody s LYS 43 Cb 0.04 0.16 0.02 0.00 -2.06 0.00 0.00 37.83 35.98 1ody s LYS 43 CO 0.18 -0.08 1.24 -2.14 0.10 0.00 0.00 175.35 174.65 1ody s PRO 44 N -0.93 2.34 0.04 1.78 0.02 -1.26 0.13 135.00 137.12 1ody s PRO 44 Ca -0.10 1.90 -0.28 0.00 0.02 0.00 0.00 61.00 62.54 1ody s PRO 44 Cb -0.06 -1.84 0.09 0.00 0.02 0.00 0.00 34.50 32.71 1ody s PRO 44 CO 0.01 -1.72 0.91 0.21 -0.33 0.00 0.00 177.00 176.09 1ody s LYS 45 N -3.65 0.91 -0.06 5.54 2.20 -0.03 -4.72 119.74 119.93 1ody s LYS 45 Ca 0.78 -0.39 -0.03 0.00 -0.36 0.00 0.00 55.97 55.97 1ody s LYS 45 Cb -0.33 0.38 0.04 0.00 -1.51 0.00 0.00 37.83 36.41 1ody s LYS 45 CO 0.42 -0.40 0.14 -1.64 -0.36 0.00 0.00 175.35 173.51 1ody s MET 46 N -3.15 0.09 0.07 4.03 -1.94 -1.26 0.13 119.30 117.26 1ody s MET 46 Ca 0.07 0.36 0.07 0.00 -1.71 0.00 0.00 55.69 54.48 1ody s MET 46 Cb -0.01 -0.18 -0.03 0.00 2.01 0.00 0.00 34.83 36.62 1ody s MET 46 CO -0.06 -0.17 -0.18 0.96 -0.01 0.00 0.00 175.02 175.56 1ody s ILE 47 N 1.16 1.44 0.25 2.53 -5.25 -0.50 -4.93 121.20 115.90 1ody s ILE 47 Ca -0.09 -1.29 -0.05 0.00 -0.99 0.00 0.00 60.65 58.23 1ody s ILE 47 Cb -0.12 -1.31 -0.06 0.00 2.95 0.00 0.00 42.46 43.93 1ody s ILE 47 CO -0.06 -0.01 0.51 -0.83 -1.79 0.00 0.00 174.94 172.76 1ody s GLY 48 N -1.52 1.99 0.00 6.27 0.00 -1.26 -1.13 107.32 111.67 1ody s GLY 48 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.24 1ody s GLY 48 CO 0.03 -0.42 0.00 0.61 0.00 0.00 0.00 173.10 173.32 1ody n GLY 49 N -0.61 5.67 0.09 0.20 0.00 -0.83 -4.99 105.19 104.72 1ody n GLY 49 Ca -0.02 -1.60 -0.17 0.00 0.00 0.00 0.00 46.02 44.23 1ody n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ody h ILE 50 N 0.11 1.46 0.00 -0.61 6.09 -2.03 -3.36 117.51 119.17 1ody h ILE 50 Ca 0.00 -2.32 0.00 0.00 -1.37 0.00 0.00 64.86 61.17 1ody h ILE 50 Cb 0.00 2.99 0.00 0.00 0.47 0.00 0.00 36.82 40.28 1ody h ILE 50 CO 0.00 0.55 0.00 0.61 -3.07 0.00 0.00 178.15 176.24 1ody n GLY 51 N 1.58 -0.90 0.00 8.18 0.00 -1.26 -5.01 105.19 107.78 1ody n GLY 51 Ca -0.18 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1ody n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ody n GLY 52 N 0.62 0.79 3.90 -0.02 0.00 -1.26 -5.12 105.19 104.10 1ody n GLY 52 Ca 0.12 -2.02 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 1ody n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ody s PHE 53 N -1.60 3.56 0.12 1.61 0.40 -1.26 -1.97 117.98 118.85 1ody s PHE 53 Ca 0.00 0.41 0.07 0.00 -0.60 0.00 0.00 56.93 56.81 1ody s PHE 53 Cb 0.00 -1.87 -0.04 0.00 0.51 0.00 0.00 43.02 41.63 1ody s PHE 53 CO 0.00 0.66 -0.16 0.96 0.70 0.00 0.00 175.22 177.38 1ody s ILE 54 N -1.27 1.49 -0.20 0.64 -4.36 -0.28 -4.96 121.20 112.27 1ody s ILE 54 Ca 0.25 -1.69 -0.24 0.00 -0.26 0.00 0.00 60.65 58.71 1ody s ILE 54 Cb -0.13 -1.56 -0.02 0.00 1.25 0.00 0.00 42.46 42.01 1ody s ILE 54 CO 0.16 -0.31 0.76 -0.54 0.24 0.00 0.00 174.94 175.25 1ody s LYS 55 N -2.48 4.24 0.11 0.37 -0.14 -1.26 -1.41 119.74 119.17 1ody s LYS 55 Ca 0.09 0.86 0.00 0.00 -1.36 0.00 0.00 55.97 55.56 1ody s LYS 55 Cb -0.06 -3.60 -0.04 0.00 -1.68 0.00 0.00 37.83 32.45 1ody s LYS 55 CO 0.04 -0.35 -0.01 0.14 -0.76 0.00 0.00 175.35 174.41 1ody s VAL 56 N 2.26 0.41 -0.25 3.17 -7.23 0.35 -4.52 120.40 114.59 1ody s VAL 56 Ca 0.34 -1.91 -0.08 0.00 -1.81 0.00 0.00 61.98 58.52 1ody s VAL 56 Cb -0.16 -1.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 1ody s VAL 56 CO 0.10 -0.69 0.10 -0.13 -0.31 0.00 0.00 175.10 174.17 1ody s ARG 57 N -3.93 3.75 -0.13 4.82 0.52 -0.79 -0.85 118.95 122.33 1ody s ARG 57 Ca 0.17 -0.43 -0.19 0.00 -0.52 0.00 0.00 55.73 54.76 1ody s ARG 57 Cb 0.07 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 32.09 1ody s ARG 57 CO -0.02 -0.17 0.50 -1.14 0.02 0.00 0.00 175.30 174.49 1ody s GLN 58 N 1.60 4.33 -0.09 3.54 0.74 0.34 -1.70 119.66 128.42 1ody s GLN 58 Ca 0.06 0.48 0.04 0.00 0.05 0.00 0.00 55.36 55.99 1ody s GLN 58 Cb -0.15 -3.45 -0.01 0.00 1.10 0.00 0.00 33.01 30.50 1ody s GLN 58 CO 0.05 0.11 -0.22 0.71 -0.55 0.00 0.00 175.29 175.39 1ody s TYR 59 N 0.78 2.57 0.27 1.67 1.51 -0.40 -0.28 117.35 123.47 1ody s TYR 59 Ca 0.27 -0.88 0.08 0.00 -1.01 0.00 0.00 57.07 55.52 1ody s TYR 59 Cb -0.15 -1.70 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 1ody s TYR 59 CO 0.11 -0.32 0.13 -0.51 -1.11 0.00 0.00 175.55 173.85 1ody s ASP 60 N 0.18 5.10 -1.46 2.29 1.11 -1.26 -1.06 116.67 121.56 1ody s ASP 60 Ca -0.13 -0.45 -0.10 0.00 0.18 0.00 0.00 52.55 52.04 1ody s ASP 60 Cb -0.16 -1.12 0.06 0.00 1.07 0.00 0.00 42.92 42.77 1ody s ASP 60 CO 0.07 -0.07 0.95 0.00 1.18 0.00 0.00 175.17 177.29 1ody n GLN 61 N -1.10 -5.67 -3.47 8.23 1.13 -1.07 -4.87 117.38 110.57 1ody n GLN 61 Ca -0.06 0.63 -0.38 0.00 -1.94 0.00 0.00 57.00 55.25 1ody n GLN 61 Cb 0.59 -5.47 -0.08 0.00 0.11 0.00 0.00 30.24 25.39 1ody n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ody s ILE 62 N -3.38 5.24 0.06 5.09 -1.09 0.33 -4.73 121.20 122.71 1ody s ILE 62 Ca 0.51 0.53 -0.30 0.00 -2.23 0.00 0.00 60.65 59.16 1ody s ILE 62 Cb -0.25 -3.66 -0.05 0.00 -1.58 0.00 0.00 42.46 36.92 1ody s ILE 62 CO 0.82 0.26 1.06 -0.22 -1.23 0.00 0.00 174.94 175.63 1ody s LEU 63 N 1.36 4.40 -0.01 2.97 2.96 -1.26 -1.26 118.68 127.84 1ody s LEU 63 Ca 0.15 1.85 0.02 0.00 -0.22 0.00 0.00 54.13 55.93 1ody s LEU 63 Cb -0.15 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.96 1ody s LEU 63 CO 0.07 -0.29 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.11 1ody s ILE 64 N 0.71 0.52 -0.34 6.68 1.01 0.52 -4.49 121.20 125.81 1ody s ILE 64 Ca 0.53 -0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.80 1ody s ILE 64 Cb -0.25 -0.44 0.01 0.00 0.01 0.00 0.00 42.46 41.79 1ody s ILE 64 CO 0.30 0.15 0.19 -1.61 0.00 0.00 0.00 174.94 173.96 1ody s GLU 65 N -0.12 3.11 -0.30 2.79 2.02 -0.63 -0.33 118.70 125.24 1ody s GLU 65 Ca 0.02 -0.88 -0.05 0.00 0.02 0.00 0.00 54.97 54.07 1ody s GLU 65 Cb -0.03 -3.67 0.02 0.00 0.10 0.00 0.00 34.13 30.56 1ody s GLU 65 CO -0.00 -0.56 0.06 0.42 0.02 0.00 0.00 175.26 175.20 1ody s ILE 66 N 1.60 3.66 -1.09 -1.63 1.01 0.49 -0.74 121.20 124.49 1ody s ILE 66 Ca 0.04 -0.94 -0.10 0.00 0.00 0.00 0.00 60.65 59.64 1ody s ILE 66 Cb -0.18 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 1ody s ILE 66 CO 0.07 0.00 0.87 0.00 0.00 0.00 0.00 174.94 175.88 1ody n GLY 68 N -1.39 -0.38 2.88 0.00 0.00 -1.26 -4.94 105.19 100.10 1ody n GLY 68 Ca -0.09 0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 1ody n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ody s HIS 69 N -3.98 0.29 0.12 1.61 4.02 -0.98 -5.11 115.29 111.26 1ody s HIS 69 Ca 0.21 -0.03 -0.18 0.00 1.02 0.00 0.00 55.06 56.08 1ody s HIS 69 Cb -0.12 -0.27 -0.07 0.00 -1.02 0.00 0.00 32.58 31.10 1ody s HIS 69 CO 0.67 -0.06 0.59 0.15 1.02 0.00 0.00 174.74 177.12 1ody s LYS 70 N 0.38 4.15 -0.03 1.40 3.01 -1.26 -0.38 119.74 127.00 1ody s LYS 70 Ca -0.04 0.69 -0.12 0.00 -1.01 0.00 0.00 55.97 55.49 1ody s LYS 70 Cb -0.06 -3.08 0.02 0.00 -1.01 0.00 0.00 37.83 33.70 1ody s LYS 70 CO -0.01 0.55 0.27 0.00 0.51 0.00 0.00 175.35 176.66 1ody s ALA 71 N -1.30 -0.66 -0.14 5.17 0.00 0.56 -4.87 121.76 120.52 1ody s ALA 71 Ca 0.34 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.64 1ody s ALA 71 Cb -0.18 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1ody s ALA 71 CO 0.20 -0.22 -0.19 0.42 0.00 0.00 0.00 175.76 175.96 1ody s ILE 72 N -1.03 1.85 0.00 0.00 1.01 -1.26 -0.35 121.20 121.41 1ody s ILE 72 Ca -0.11 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.70 1ody s ILE 72 Cb -0.05 -1.66 0.00 0.00 0.01 0.00 0.00 42.46 40.76 1ody s ILE 72 CO 0.03 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.09 1ody n GLY 73 N 4.28 1.26 3.72 6.18 0.00 -0.39 -4.84 105.19 115.40 1ody n GLY 73 Ca -0.19 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.54 1ody n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ody s THR 74 N -2.50 4.92 0.01 2.61 2.01 -1.26 0.12 115.64 121.55 1ody s THR 74 Ca 0.00 1.67 0.06 0.00 0.31 0.00 0.00 61.69 63.73 1ody s THR 74 Cb 0.00 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.35 1ody s THR 74 CO 0.00 0.25 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.30 1ody s VAL 75 N 0.67 1.54 -0.09 3.82 1.01 -0.23 -4.52 120.40 122.60 1ody s VAL 75 Ca 0.42 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.48 1ody s VAL 75 Cb -0.19 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 1ody s VAL 75 CO 0.22 0.34 -0.16 -0.76 0.00 0.00 0.00 175.10 174.74 1ody s LEU 76 N -0.71 2.56 -0.09 3.92 1.43 -0.80 -1.28 118.68 123.73 1ody s LEU 76 Ca 0.07 -0.33 0.05 0.00 -1.03 0.00 0.00 54.13 52.89 1ody s LEU 76 Cb -0.08 -1.53 -0.00 0.00 0.03 0.00 0.00 46.19 44.60 1ody s LEU 76 CO 0.00 0.24 -0.24 -0.69 0.23 0.00 0.00 176.35 175.90 1ody s VAL 77 N -0.13 2.10 0.00 -1.59 1.01 -0.69 0.19 120.40 121.28 1ody s VAL 77 Ca -0.02 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1ody s VAL 77 Cb -0.14 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1ody s VAL 77 CO 0.04 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1ody n GLY 78 N 3.32 1.05 1.96 4.51 0.00 -0.26 -1.89 105.19 113.87 1ody n GLY 78 Ca -0.18 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 44.93 1ody n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ody n PRO 79 N 0.00 1.80 -1.84 1.61 -0.04 -1.26 -2.64 135.00 132.63 1ody n PRO 79 Ca 0.00 -1.38 -0.33 0.00 -0.04 0.00 0.00 63.50 61.75 1ody n PRO 79 Cb 0.00 -1.65 0.04 0.00 -0.04 0.00 0.00 33.50 31.85 1ody n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1ody s THR 80 N -1.53 3.35 0.05 0.52 -1.32 -1.26 -4.95 115.64 110.50 1ody s THR 80 Ca 0.35 0.64 0.15 0.00 -1.21 0.00 0.00 61.69 61.62 1ody s THR 80 Cb 0.24 -3.17 0.04 0.00 -1.51 0.00 0.00 72.50 68.10 1ody s THR 80 CO -0.05 -0.38 1.54 -0.65 -2.21 0.00 0.00 174.62 172.87 1ody h PRO 81 N 0.16 0.00 -4.56 7.08 0.11 -1.98 -3.43 132.00 129.38 1ody h PRO 81 Ca -0.47 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.37 1ody h PRO 81 Cb 1.24 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.14 1ody h PRO 81 CO 0.55 0.55 -0.73 0.08 -0.21 0.00 0.00 178.00 178.23 1ody s VAL 82 N -3.22 0.54 -0.05 3.15 1.01 -1.26 -5.06 120.40 115.51 1ody s VAL 82 Ca 0.02 -1.14 -0.30 0.00 0.00 0.00 0.00 61.98 60.56 1ody s VAL 82 Cb 0.10 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.75 1ody s VAL 82 CO 0.74 -0.42 1.45 0.20 0.00 0.00 0.00 175.10 177.06 1ody s ASN 83 N -1.68 6.81 -0.14 3.32 0.01 -1.26 -4.65 114.94 117.35 1ody s ASN 83 Ca -0.09 2.06 0.03 0.00 -0.71 0.00 0.00 52.86 54.15 1ody s ASN 83 Cb -0.09 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 39.03 1ody s ASN 83 CO -0.00 -0.79 -0.22 -0.63 -1.51 0.00 0.00 177.10 173.95 1ody s ILE 84 N 3.15 2.07 -0.37 0.60 1.01 0.53 -1.81 121.20 126.37 1ody s ILE 84 Ca 0.65 -0.98 -0.19 0.00 0.00 0.00 0.00 60.65 60.13 1ody s ILE 84 Cb -0.30 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 40.35 1ody s ILE 84 CO 0.25 0.55 0.54 -0.63 0.00 0.00 0.00 174.94 175.64 1ody s ILE 85 N 0.76 4.98 0.51 2.92 -1.09 -0.31 -2.05 121.20 126.92 1ody s ILE 85 Ca -0.08 0.26 0.09 0.00 -2.23 0.00 0.00 60.65 58.68 1ody s ILE 85 Cb -0.16 -4.02 0.05 0.00 -1.58 0.00 0.00 42.46 36.76 1ody s ILE 85 CO -0.01 -0.30 0.70 -0.83 -1.23 0.00 0.00 174.94 173.27 1ody s GLY 86 N 1.81 1.83 0.54 6.18 0.00 -1.24 -0.79 107.32 115.65 1ody s GLY 86 Ca 0.19 -1.92 0.27 0.00 0.00 0.00 0.00 44.72 43.26 1ody s GLY 86 CO 0.14 -1.58 1.97 3.21 0.00 0.00 0.00 173.10 176.84 1ody h ARG 87 N 0.37 0.00 0.00 2.90 3.08 -1.22 -1.31 114.38 118.20 1ody h ARG 87 Ca -0.35 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.68 1ody h ARG 87 Cb 1.28 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.33 1ody h ARG 87 CO 0.43 0.00 -0.10 -2.95 -1.07 0.00 0.00 179.97 176.27 1ody h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.79 -2.47 115.58 117.29 1ody h ASN 88 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.64 1ody h ASN 88 Cb 1.12 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.37 1ody h ASN 88 CO -0.00 0.10 -1.51 0.18 0.07 0.00 0.00 177.43 176.27 1ody n LEU 89 N -4.25 0.11 0.02 6.14 4.77 -0.58 -4.16 117.00 119.05 1ody n LEU 89 Ca -0.03 -0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 55.82 1ody n LEU 89 Cb 0.18 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.43 1ody n LEU 89 CO 0.34 0.03 0.65 -0.07 -1.33 0.00 0.00 177.39 177.01 1ody h LEU 90 N 0.00 0.50 -0.70 2.23 3.38 -1.15 -1.91 115.31 117.67 1ody h LEU 90 Ca 0.00 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 1ody h LEU 90 Cb 0.62 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1ody h LEU 90 CO 0.00 0.81 -0.00 0.71 0.09 0.00 0.00 178.44 180.05 1ody h THR 91 N 0.41 1.26 -0.29 0.22 1.35 -1.64 0.18 112.91 114.40 1ody h THR 91 Ca 0.05 -1.13 -0.06 0.00 -0.55 0.00 0.00 66.41 64.72 1ody h THR 91 Cb 0.81 0.82 -0.02 0.00 -1.73 0.00 0.00 68.15 68.03 1ody h THR 91 CO 0.07 0.41 -0.07 1.56 -0.25 0.00 0.00 175.52 177.23 1ody h GLN 92 N 0.92 0.47 -0.42 4.72 4.20 -1.53 -0.11 115.11 123.36 1ody h GLN 92 Ca 0.17 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1ody h GLN 92 Cb 0.54 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1ody h GLN 92 CO 0.03 0.55 0.00 0.44 -0.67 0.00 0.00 178.83 179.18 1ody n ILE 93 N -4.25 0.52 -3.32 2.54 -5.35 -0.85 -4.88 119.36 103.77 1ody n ILE 93 Ca 0.01 -0.39 -0.20 0.00 -0.27 0.00 0.00 62.75 61.89 1ody n ILE 93 Cb 0.28 0.02 0.06 0.00 -1.74 0.00 0.00 39.64 38.26 1ody n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ody n GLY 94 N 0.74 -0.32 3.75 3.28 0.00 -0.05 -4.99 105.19 107.59 1ody n GLY 94 Ca 0.09 0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1ody n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ody s THR 96 N -0.06 1.99 -0.05 0.00 -4.23 -1.26 -4.78 115.64 107.24 1ody s THR 96 Ca 0.37 -2.27 -0.10 0.00 -1.18 0.00 0.00 61.69 58.50 1ody s THR 96 Cb -0.20 -2.15 -0.05 0.00 1.34 0.00 0.00 72.50 71.44 1ody s THR 96 CO 0.22 -0.51 0.27 -0.22 -0.54 0.00 0.00 174.62 173.83 1ody s LEU 97 N -3.39 4.42 -0.13 4.79 2.96 -1.26 -5.08 118.68 121.00 1ody s LEU 97 Ca 0.25 0.69 -0.06 0.00 -0.22 0.00 0.00 54.13 54.80 1ody s LEU 97 Cb -0.02 -2.36 0.06 0.00 0.50 0.00 0.00 46.19 44.36 1ody s LEU 97 CO 0.10 0.36 0.29 0.20 -1.32 0.00 0.00 176.35 175.98 1ody s ASN 98 N -1.13 -0.17 0.00 3.68 -0.87 -1.26 -5.28 114.94 109.91 1ody s ASN 98 Ca 0.20 0.64 0.00 0.00 -1.57 0.00 0.00 52.86 52.13 1ody s ASN 98 Cb -0.14 0.60 0.00 0.00 -0.02 0.00 0.00 41.25 41.69 1ody s ASN 98 CO 0.09 -0.19 0.00 2.22 -2.57 0.00 0.00 177.10 176.65