#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ffi s GLN 2 N 0.00 3.12 -0.32 0.54 0.74 -1.26 -5.08 119.66 117.41 1ffi s GLN 2 Ca 0.00 -0.82 -0.12 0.00 0.05 0.00 0.00 55.36 54.47 1ffi s GLN 2 Cb 0.00 -3.27 -0.03 0.00 1.10 0.00 0.00 33.01 30.81 1ffi s GLN 2 CO 0.00 -0.39 0.21 0.42 -0.55 0.00 0.00 175.29 174.98 1ffi s ILE 3 N 1.48 5.19 0.63 -2.34 1.01 -1.26 -5.08 121.20 120.82 1ffi s ILE 3 Ca 0.03 -0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.45 1ffi s ILE 3 Cb -0.17 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 1ffi s ILE 3 CO 0.01 0.09 1.03 0.42 0.00 0.00 0.00 174.94 176.49 1ffi s THR 4 N 1.72 4.59 -0.26 2.92 -4.23 -1.26 -5.01 115.64 114.11 1ffi s THR 4 Ca 0.06 0.82 0.12 0.00 -1.18 0.00 0.00 61.69 61.52 1ffi s THR 4 Cb -0.17 -3.83 0.58 0.00 1.34 0.00 0.00 72.50 70.42 1ffi s THR 4 CO 0.10 -1.09 1.56 0.18 -0.54 0.00 0.00 174.62 174.82 1ffi n LEU 5 N -2.76 4.65 0.23 4.79 4.77 -1.26 -4.49 117.00 122.92 1ffi n LEU 5 Ca 0.06 -3.34 0.09 0.00 -0.03 0.00 0.00 56.01 52.79 1ffi n LEU 5 Cb 0.54 -0.64 0.53 0.00 -2.33 0.00 0.00 43.42 41.53 1ffi n LEU 5 CO 0.58 0.91 0.84 -0.50 -1.33 0.00 0.00 177.39 177.89 1ffi h TRP 6 N 1.71 0.00 -3.54 -1.77 4.06 -2.05 -3.44 115.95 110.93 1ffi h TRP 6 Ca 0.17 0.00 -0.38 0.00 2.06 0.00 0.00 58.89 60.74 1ffi h TRP 6 Cb 1.81 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.82 1ffi h TRP 6 CO 0.91 0.23 -0.62 -1.59 -3.56 0.00 0.00 178.44 173.82 1ffi s LYS 7 N -4.03 1.46 0.22 0.49 -2.85 -1.26 -5.11 119.74 108.65 1ffi s LYS 7 Ca -0.02 -1.79 -0.31 0.00 -1.00 0.00 0.00 55.97 52.85 1ffi s LYS 7 Cb 0.13 -0.42 -0.11 0.00 -2.06 0.00 0.00 37.83 35.36 1ffi s LYS 7 CO 0.64 -0.26 1.66 1.03 0.10 0.00 0.00 175.35 178.53 1ffi s ARG 8 N -3.99 4.14 -1.20 1.78 0.52 -1.26 -4.87 118.95 114.08 1ffi s ARG 8 Ca 0.37 2.55 -0.19 0.00 -0.52 0.00 0.00 55.73 57.93 1ffi s ARG 8 Cb 0.08 -3.08 -0.02 0.00 0.52 0.00 0.00 34.95 32.45 1ffi s ARG 8 CO 0.14 -0.69 1.93 -0.35 0.02 0.00 0.00 175.30 176.35 1ffi n PRO 9 N 3.58 2.37 -3.62 3.54 -0.04 -1.26 -4.94 135.00 134.63 1ffi n PRO 9 Ca 0.14 -2.64 -0.37 0.00 -0.04 0.00 0.00 63.50 60.59 1ffi n PRO 9 Cb 0.36 -3.40 -0.07 0.00 -0.04 0.00 0.00 33.50 30.36 1ffi n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ffi s LEU 10 N 4.94 4.33 0.19 1.53 1.43 -1.26 -1.14 118.68 128.70 1ffi s LEU 10 Ca 0.57 0.59 0.03 0.00 -1.03 0.00 0.00 54.13 54.28 1ffi s LEU 10 Cb 0.07 -2.34 -0.05 0.00 0.03 0.00 0.00 46.19 43.91 1ffi s LEU 10 CO 0.07 0.23 -0.01 0.68 0.23 0.00 0.00 176.35 177.55 1ffi s VAL 11 N -0.24 0.82 -0.01 -1.59 -7.23 0.54 -4.94 120.40 107.75 1ffi s VAL 11 Ca 0.17 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.16 1ffi s VAL 11 Cb -0.13 -2.17 -0.06 0.00 0.56 0.00 0.00 36.38 34.58 1ffi s VAL 11 CO 0.06 -0.45 0.50 -0.89 -0.31 0.00 0.00 175.10 174.02 1ffi s THR 12 N -3.56 4.97 0.19 5.32 2.01 -1.26 -0.32 115.64 122.98 1ffi s THR 12 Ca 0.25 1.05 0.07 0.00 0.31 0.00 0.00 61.69 63.36 1ffi s THR 12 Cb 0.06 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 1ffi s THR 12 CO 0.05 0.48 -0.14 0.27 -0.69 0.00 0.00 174.62 174.60 1ffi s ILE 13 N -0.49 1.61 -0.14 1.82 -4.36 0.76 -1.74 121.20 118.65 1ffi s ILE 13 Ca 0.27 -2.17 0.00 0.00 -0.26 0.00 0.00 60.65 58.49 1ffi s ILE 13 Cb -0.17 -1.99 0.02 0.00 1.25 0.00 0.00 42.46 41.57 1ffi s ILE 13 CO 0.15 -0.62 -0.12 -0.75 0.24 0.00 0.00 174.94 173.83 1ffi s LYS 14 N -3.64 2.11 -0.04 0.37 2.20 -0.10 -1.15 119.74 119.49 1ffi s LYS 14 Ca 0.21 -0.49 -0.01 0.00 -0.36 0.00 0.00 55.97 55.31 1ffi s LYS 14 Cb -0.00 -1.99 0.03 0.00 -1.51 0.00 0.00 37.83 34.36 1ffi s LYS 14 CO 0.05 -0.25 0.07 -1.50 -0.36 0.00 0.00 175.35 173.37 1ffi s ILE 15 N 1.54 -0.05 -1.49 5.43 2.07 0.02 -1.56 121.20 127.15 1ffi s ILE 15 Ca 0.05 0.19 -0.05 0.00 -1.41 0.00 0.00 60.65 59.43 1ffi s ILE 15 Cb -0.13 -0.14 0.02 0.00 0.13 0.00 0.00 42.46 42.34 1ffi s ILE 15 CO -0.10 0.08 0.53 0.61 -1.91 0.00 0.00 174.94 174.14 1ffi n GLY 16 N 4.13 -0.51 3.00 1.50 0.00 -1.26 -0.76 105.19 111.29 1ffi n GLY 16 Ca -0.26 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1ffi n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ffi n GLY 17 N -1.39 0.81 3.62 -0.02 0.00 -1.26 -5.01 105.19 101.95 1ffi n GLY 17 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1ffi n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ffi s GLN 18 N -0.15 3.00 -0.16 1.61 -0.21 0.06 -5.10 119.66 118.72 1ffi s GLN 18 Ca 0.00 -0.47 -0.19 0.00 0.02 0.00 0.00 55.36 54.72 1ffi s GLN 18 Cb 0.00 -2.74 -0.04 0.00 1.00 0.00 0.00 33.01 31.24 1ffi s GLN 18 CO 0.00 0.62 0.53 -0.51 -2.12 0.00 0.00 175.29 173.81 1ffi s LEU 19 N -0.68 4.21 0.08 2.90 1.43 -1.26 -0.80 118.68 124.56 1ffi s LEU 19 Ca 0.11 0.78 0.01 0.00 -1.03 0.00 0.00 54.13 54.00 1ffi s LEU 19 Cb -0.12 -2.75 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 1ffi s LEU 19 CO 0.02 -0.12 -0.05 -0.54 0.23 0.00 0.00 176.35 175.89 1ffi s LYS 20 N 1.23 0.76 -0.12 1.70 1.02 -0.30 -4.97 119.74 119.05 1ffi s LYS 20 Ca 0.26 -1.30 -0.10 0.00 0.02 0.00 0.00 55.97 54.86 1ffi s LYS 20 Cb -0.15 -0.05 -0.05 0.00 -0.52 0.00 0.00 37.83 37.06 1ffi s LYS 20 CO 0.11 -0.05 0.21 -2.00 -0.92 0.00 0.00 175.35 172.69 1ffi s GLU 21 N -3.87 3.79 0.04 1.68 2.12 -1.26 -0.17 118.70 121.03 1ffi s GLU 21 Ca 0.10 -0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.42 1ffi s GLU 21 Cb 0.06 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 31.15 1ffi s GLU 21 CO -0.07 0.59 -0.04 0.00 -0.54 0.00 0.00 175.26 175.21 1ffi s ALA 22 N -0.55 0.34 -0.22 6.30 0.00 0.56 -4.45 121.76 123.73 1ffi s ALA 22 Ca 0.16 -0.83 -0.12 0.00 0.00 0.00 0.00 51.96 51.16 1ffi s ALA 22 Cb -0.13 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 1ffi s ALA 22 CO 0.05 -0.21 0.23 -1.17 0.00 0.00 0.00 175.76 174.66 1ffi s LEU 23 N -1.98 4.14 -0.58 0.00 2.96 0.30 -0.34 118.68 123.18 1ffi s LEU 23 Ca -0.07 0.26 -0.28 0.00 -0.22 0.00 0.00 54.13 53.82 1ffi s LEU 23 Cb -0.04 -2.23 0.03 0.00 0.50 0.00 0.00 46.19 44.45 1ffi s LEU 23 CO -0.04 0.04 1.23 -0.76 -1.32 0.00 0.00 176.35 175.51 1ffi s LEU 24 N 1.02 3.43 -0.41 -0.68 1.43 -0.29 -0.84 118.68 122.33 1ffi s LEU 24 Ca 0.11 0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 53.30 1ffi s LEU 24 Cb -0.14 -3.14 0.11 0.00 0.03 0.00 0.00 46.19 43.06 1ffi s LEU 24 CO 0.05 -1.53 0.21 -0.62 0.23 0.00 0.00 176.35 174.70 1ffi s ASP 25 N 3.20 5.30 0.25 2.29 2.15 -0.60 -4.80 116.67 124.47 1ffi s ASP 25 Ca 0.44 -2.00 0.22 0.00 0.43 0.00 0.00 52.55 51.64 1ffi s ASP 25 Cb -0.08 -1.85 0.97 0.00 -0.30 0.00 0.00 42.92 41.67 1ffi s ASP 25 CO 0.25 -0.55 1.67 0.35 -0.17 0.00 0.00 175.17 176.72 1ffi n THR 26 N 4.63 0.90 0.91 1.71 -2.24 -1.26 -1.92 114.28 117.01 1ffi n THR 26 Ca -0.03 0.33 0.10 0.00 -2.27 0.00 0.00 64.05 62.18 1ffi n THR 26 Cb 0.41 -1.27 0.30 0.00 -2.10 0.00 0.00 70.33 67.68 1ffi n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ffi n GLY 27 N -0.28 0.74 3.40 3.38 0.00 -1.26 -4.84 105.19 106.33 1ffi n GLY 27 Ca 0.01 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1ffi n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffi s ALA 28 N -1.65 2.93 0.22 4.61 0.00 -0.81 -4.99 121.76 122.06 1ffi s ALA 28 Ca 0.33 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 1ffi s ALA 28 Cb 0.18 -1.69 0.21 0.00 0.00 0.00 0.00 23.12 21.81 1ffi s ALA 28 CO 0.26 -0.18 1.61 -0.44 0.00 0.00 0.00 175.76 177.01 1ffi h ASP 29 N 7.56 0.68 -1.69 0.00 3.32 -1.88 0.87 116.42 125.27 1ffi h ASP 29 Ca -0.36 -0.28 -0.62 0.00 0.02 0.00 0.00 57.03 55.80 1ffi h ASP 29 Cb 1.18 -0.19 -0.12 0.00 0.22 0.00 0.00 39.33 40.42 1ffi h ASP 29 CO 0.60 0.96 -0.59 0.20 -1.72 0.00 0.00 179.24 178.68 1ffi s ASN 30 N -6.82 3.96 -0.22 6.45 0.02 -1.26 -3.21 114.94 113.87 1ffi s ASN 30 Ca -0.08 -1.29 -0.11 0.00 -1.02 0.00 0.00 52.86 50.36 1ffi s ASN 30 Cb 0.13 -0.41 -0.05 0.00 0.02 0.00 0.00 41.25 40.93 1ffi s ASN 30 CO 0.83 -0.43 0.18 -0.89 0.02 0.00 0.00 177.10 176.81 1ffi s THR 31 N -2.67 5.36 -0.10 1.60 2.01 -1.26 -3.04 115.64 117.53 1ffi s THR 31 Ca 0.36 0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.63 1ffi s THR 31 Cb 0.08 -3.52 0.02 0.00 0.01 0.00 0.00 72.50 69.08 1ffi s THR 31 CO 0.19 0.37 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.66 1ffi s VAL 32 N 0.82 1.35 0.08 3.82 1.01 -0.10 -0.94 120.40 126.43 1ffi s VAL 32 Ca 0.09 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 61.61 1ffi s VAL 32 Cb -0.13 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1ffi s VAL 32 CO 0.03 0.41 -0.25 -0.63 0.00 0.00 0.00 175.10 174.66 1ffi s ILE 33 N 1.04 2.02 0.94 2.22 -1.09 0.45 -0.14 121.20 126.64 1ffi s ILE 33 Ca -0.06 -1.47 -0.10 0.00 -2.23 0.00 0.00 60.65 56.78 1ffi s ILE 33 Cb -0.15 -1.76 0.16 0.00 -1.58 0.00 0.00 42.46 39.13 1ffi s ILE 33 CO -0.02 0.20 1.11 -1.84 -1.23 0.00 0.00 174.94 173.17 1ffi n GLU 34 N 1.47 -0.64 -1.64 2.79 0.28 -1.26 -1.16 120.64 120.47 1ffi n GLU 34 Ca -0.18 -0.13 -0.57 0.00 -0.16 0.00 0.00 57.16 56.13 1ffi n GLU 34 Cb 0.53 -2.35 -0.07 0.00 1.43 0.00 0.00 31.44 30.98 1ffi n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1ffi n GLU 35 N -4.26 0.90 -3.68 3.44 -0.58 -1.16 -4.54 120.64 110.77 1ffi n GLU 35 Ca 0.11 0.33 -0.07 0.00 -0.42 0.00 0.00 57.16 57.10 1ffi n GLU 35 Cb 0.52 -1.95 -0.02 0.00 -0.57 0.00 0.00 31.44 29.42 1ffi n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ffi s MET 36 N 1.85 1.37 -0.07 3.49 0.23 -1.26 -5.03 119.30 119.88 1ffi s MET 36 Ca 0.93 -0.68 -0.17 0.00 -1.03 0.00 0.00 55.69 54.73 1ffi s MET 36 Cb -1.09 0.52 -0.05 0.00 -1.53 0.00 0.00 34.83 32.68 1ffi s MET 36 CO 0.59 -0.62 0.47 0.45 -2.03 0.00 0.00 175.02 173.87 1ffi s SER 37 N -2.83 6.75 0.04 -1.18 0.15 -1.26 -5.02 113.70 110.36 1ffi s SER 37 Ca 0.08 0.89 0.04 0.00 0.70 0.00 0.00 55.95 57.66 1ffi s SER 37 Cb -0.03 -2.28 -0.02 0.00 -1.71 0.00 0.00 66.02 61.98 1ffi s SER 37 CO -0.01 0.10 -0.11 -0.76 1.20 0.00 0.00 173.24 173.66 1ffi s LEU 38 N 0.06 2.21 0.63 3.45 1.43 -1.26 -4.90 118.68 120.30 1ffi s LEU 38 Ca 0.26 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.74 1ffi s LEU 38 Cb -0.16 -0.39 -0.02 0.00 0.03 0.00 0.00 46.19 45.64 1ffi s LEU 38 CO 0.12 -0.07 1.04 -2.16 0.23 0.00 0.00 176.35 175.51 1ffi s PRO 39 N -1.32 3.27 0.00 1.29 0.04 -1.26 -4.96 135.00 132.06 1ffi s PRO 39 Ca -0.03 0.99 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1ffi s PRO 39 Cb -0.08 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1ffi s PRO 39 CO 0.01 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 176.63 1ffi n GLY 40 N -1.80 -0.13 3.83 0.56 0.00 -1.26 -4.91 105.19 101.48 1ffi n GLY 40 Ca 0.07 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 43.97 1ffi n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ffi s ARG 41 N -1.72 3.16 0.11 1.61 6.06 -1.26 -5.07 118.95 121.85 1ffi s ARG 41 Ca 0.00 0.93 -0.06 0.00 -2.50 0.00 0.00 55.73 54.10 1ffi s ARG 41 Cb 0.00 -2.02 -0.02 0.00 0.06 0.00 0.00 34.95 32.97 1ffi s ARG 41 CO 0.00 -0.92 0.15 1.67 -2.50 0.00 0.00 175.30 173.70 1ffi s TRP 42 N -3.01 0.43 0.03 5.12 1.48 -1.26 -4.54 118.94 117.18 1ffi s TRP 42 Ca 0.58 -0.86 0.02 0.00 -1.06 0.00 0.00 56.10 54.78 1ffi s TRP 42 Cb -0.13 -0.21 -0.02 0.00 -1.16 0.00 0.00 33.47 31.95 1ffi s TRP 42 CO 0.52 -0.56 -0.07 -1.59 -4.06 0.00 0.00 176.95 171.19 1ffi s LYS 43 N -3.94 0.52 0.56 3.25 -2.85 -0.93 -4.90 119.74 111.46 1ffi s LYS 43 Ca 0.12 -0.57 -0.18 0.00 -1.00 0.00 0.00 55.97 54.34 1ffi s LYS 43 Cb 0.06 -0.38 -0.05 0.00 -2.06 0.00 0.00 37.83 35.39 1ffi s LYS 43 CO -0.05 0.08 1.11 -1.25 0.10 0.00 0.00 175.35 175.34 1ffi s PRO 44 N -1.06 3.31 -0.02 1.78 0.04 -1.26 0.34 135.00 138.13 1ffi s PRO 44 Ca -0.05 1.51 -0.16 0.00 0.04 0.00 0.00 61.00 62.34 1ffi s PRO 44 Cb -0.07 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.48 1ffi s PRO 44 CO 0.00 -0.86 0.34 0.21 0.04 0.00 0.00 177.00 176.73 1ffi s LYS 45 N -3.48 0.68 -0.15 4.56 2.20 -0.28 -4.83 119.74 118.44 1ffi s LYS 45 Ca 0.70 -0.13 -0.02 0.00 -0.36 0.00 0.00 55.97 56.16 1ffi s LYS 45 Cb -0.22 0.31 -0.02 0.00 -1.51 0.00 0.00 37.83 36.39 1ffi s LYS 45 CO 0.29 -0.19 -0.10 -1.64 -0.36 0.00 0.00 175.35 173.36 1ffi s MET 46 N -1.25 3.44 0.02 4.03 -1.94 -1.26 -0.70 119.30 121.64 1ffi s MET 46 Ca -0.13 -0.64 0.07 0.00 -1.71 0.00 0.00 55.69 53.29 1ffi s MET 46 Cb -0.05 -2.76 -0.02 0.00 2.01 0.00 0.00 34.83 34.01 1ffi s MET 46 CO 0.04 0.14 -0.22 0.96 -0.01 0.00 0.00 175.02 175.94 1ffi s ILE 47 N 0.56 1.76 0.28 2.53 -4.36 -0.71 -4.96 121.20 116.30 1ffi s ILE 47 Ca -0.06 -1.10 0.03 0.00 -0.26 0.00 0.00 60.65 59.26 1ffi s ILE 47 Cb -0.15 -1.50 -0.06 0.00 1.25 0.00 0.00 42.46 42.00 1ffi s ILE 47 CO 0.03 0.36 0.04 -0.83 0.24 0.00 0.00 174.94 174.78 1ffi s GLY 48 N -0.88 1.85 0.00 6.27 0.00 -1.26 -1.14 107.32 112.17 1ffi s GLY 48 Ca 0.09 -1.93 0.00 0.00 0.00 0.00 0.00 44.72 42.87 1ffi s GLY 48 CO 0.01 -1.74 0.00 0.61 0.00 0.00 0.00 173.10 171.98 1ffi n GLY 49 N -0.56 -0.75 3.69 0.20 0.00 -0.40 -4.98 105.19 102.39 1ffi n GLY 49 Ca -0.03 -0.36 -0.44 0.00 0.00 0.00 0.00 46.02 45.19 1ffi n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ffi n ILE 50 N 1.35 0.16 0.00 -0.61 2.08 -1.26 -1.26 119.36 119.82 1ffi n ILE 50 Ca 0.00 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.28 1ffi n ILE 50 Cb 0.00 -1.84 0.00 0.00 -0.75 0.00 0.00 39.64 37.05 1ffi n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ffi n GLY 51 N 3.88 1.49 0.00 7.39 0.00 -1.26 -4.93 105.19 111.76 1ffi n GLY 51 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1ffi n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ffi n GLY 52 N -2.00 0.21 3.62 -0.02 0.00 -0.39 -5.06 105.19 101.56 1ffi n GLY 52 Ca 0.00 -2.01 -0.24 0.00 0.00 0.00 0.00 46.02 43.76 1ffi n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ffi s PHE 53 N 0.00 2.69 0.02 1.61 0.40 -1.26 -1.27 117.98 120.18 1ffi s PHE 53 Ca 0.00 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.13 1ffi s PHE 53 Cb 0.00 -1.24 -0.02 0.00 0.51 0.00 0.00 43.02 42.27 1ffi s PHE 53 CO 0.00 0.58 -0.05 0.96 0.70 0.00 0.00 175.22 177.41 1ffi s ILE 54 N -2.08 0.33 -0.04 0.64 -4.36 -0.29 -4.97 121.20 110.43 1ffi s ILE 54 Ca 0.29 -0.82 -0.19 0.00 -0.26 0.00 0.00 60.65 59.67 1ffi s ILE 54 Cb -0.07 -0.40 -0.05 0.00 1.25 0.00 0.00 42.46 43.18 1ffi s ILE 54 CO 0.18 -0.33 0.53 -0.75 0.24 0.00 0.00 174.94 174.82 1ffi s LYS 55 N -1.21 4.27 0.20 0.37 2.20 -1.26 -1.73 119.74 122.57 1ffi s LYS 55 Ca -0.10 0.60 0.02 0.00 -0.36 0.00 0.00 55.97 56.13 1ffi s LYS 55 Cb -0.08 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.83 1ffi s LYS 55 CO -0.00 0.33 0.02 0.14 -0.36 0.00 0.00 175.35 175.48 1ffi s VAL 56 N -0.01 0.67 -0.20 4.02 -7.23 0.12 -4.48 120.40 113.29 1ffi s VAL 56 Ca 0.29 -1.99 -0.08 0.00 -1.81 0.00 0.00 61.98 58.39 1ffi s VAL 56 Cb -0.17 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 1ffi s VAL 56 CO 0.14 -0.35 0.07 -0.13 -0.31 0.00 0.00 175.10 174.53 1ffi s ARG 57 N -3.94 3.93 -0.27 4.82 0.52 0.06 -1.12 118.95 122.94 1ffi s ARG 57 Ca 0.28 -0.36 -0.15 0.00 -0.52 0.00 0.00 55.73 54.98 1ffi s ARG 57 Cb 0.06 -3.27 -0.04 0.00 0.52 0.00 0.00 34.95 32.23 1ffi s ARG 57 CO 0.07 0.17 0.38 -1.14 0.02 0.00 0.00 175.30 174.80 1ffi s GLN 58 N 0.67 4.01 -0.07 3.54 0.74 0.15 -0.78 119.66 127.92 1ffi s GLN 58 Ca 0.04 0.05 0.03 0.00 0.05 0.00 0.00 55.36 55.53 1ffi s GLN 58 Cb -0.13 -3.66 -0.02 0.00 1.10 0.00 0.00 33.01 30.30 1ffi s GLN 58 CO 0.02 -0.29 -0.14 0.71 -0.55 0.00 0.00 175.29 175.04 1ffi s TYR 59 N 2.09 2.73 0.33 1.67 1.51 -0.52 -2.18 117.35 122.98 1ffi s TYR 59 Ca 0.15 -0.29 0.08 0.00 -1.01 0.00 0.00 57.07 55.99 1ffi s TYR 59 Cb -0.16 -1.69 -0.03 0.00 -0.11 0.00 0.00 41.96 39.97 1ffi s TYR 59 CO 0.10 0.07 0.26 -0.51 -1.11 0.00 0.00 175.55 174.36 1ffi s ASP 60 N -0.43 5.20 -1.43 2.29 1.01 -1.26 -0.63 116.67 121.42 1ffi s ASP 60 Ca 0.05 -0.52 -0.05 0.00 0.71 0.00 0.00 52.55 52.74 1ffi s ASP 60 Cb -0.12 -0.97 0.04 0.00 1.01 0.00 0.00 42.92 42.88 1ffi s ASP 60 CO 0.02 -0.32 0.68 0.00 0.21 0.00 0.00 175.17 175.76 1ffi n GLN 61 N -1.32 -4.33 -3.69 8.23 1.13 -1.16 -4.89 117.38 111.35 1ffi n GLN 61 Ca -0.03 0.52 -0.35 0.00 -1.94 0.00 0.00 57.00 55.20 1ffi n GLN 61 Cb 0.60 -5.03 -0.08 0.00 0.11 0.00 0.00 30.24 25.84 1ffi n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ffi s ILE 62 N -3.64 5.39 -0.09 5.09 -1.09 0.70 -4.79 121.20 122.78 1ffi s ILE 62 Ca 0.23 0.28 -0.15 0.00 -2.23 0.00 0.00 60.65 58.78 1ffi s ILE 62 Cb -0.12 -3.51 -0.05 0.00 -1.58 0.00 0.00 42.46 37.21 1ffi s ILE 62 CO 0.85 0.44 0.39 -0.63 -1.23 0.00 0.00 174.94 174.76 1ffi s ILE 63 N 0.31 5.17 -0.05 2.92 1.01 -1.26 -1.29 121.20 128.00 1ffi s ILE 63 Ca 0.10 0.78 -0.03 0.00 0.00 0.00 0.00 60.65 61.50 1ffi s ILE 63 Cb -0.12 -3.71 0.03 0.00 0.01 0.00 0.00 42.46 38.67 1ffi s ILE 63 CO -0.00 0.45 0.13 -0.51 0.00 0.00 0.00 174.94 175.00 1ffi s ILE 64 N -0.10 -0.03 -0.28 2.92 2.07 0.13 -4.50 121.20 121.41 1ffi s ILE 64 Ca 0.22 0.11 -0.16 0.00 -1.41 0.00 0.00 60.65 59.41 1ffi s ILE 64 Cb -0.15 -0.20 -0.03 0.00 0.13 0.00 0.00 42.46 42.21 1ffi s ILE 64 CO 0.09 0.04 0.43 -0.70 -1.91 0.00 0.00 174.94 172.90 1ffi s GLU 65 N 0.69 3.97 -0.35 3.50 2.12 -0.60 -0.85 118.70 127.18 1ffi s GLU 65 Ca -0.05 0.08 -0.06 0.00 0.36 0.00 0.00 54.97 55.29 1ffi s GLU 65 Cb -0.07 -3.68 0.05 0.00 0.26 0.00 0.00 34.13 30.69 1ffi s GLU 65 CO -0.03 -0.35 0.12 0.42 -0.54 0.00 0.00 175.26 174.88 1ffi s ILE 66 N 2.17 3.80 -1.53 -3.70 1.01 0.20 -0.92 121.20 122.22 1ffi s ILE 66 Ca 0.17 -1.19 -0.14 0.00 0.00 0.00 0.00 60.65 59.49 1ffi s ILE 66 Cb -0.16 -3.18 0.10 0.00 0.01 0.00 0.00 42.46 39.23 1ffi s ILE 66 CO 0.10 -0.23 0.85 0.00 0.00 0.00 0.00 174.94 175.66 1ffi n ALA 67 N 4.81 -1.22 -0.02 9.38 0.00 -0.71 -0.61 120.51 132.14 1ffi n ALA 67 Ca -0.12 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1ffi n ALA 67 Cb 0.44 -3.99 0.00 0.00 0.00 0.00 0.00 19.45 15.91 1ffi n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ffi n GLY 68 N -1.53 1.01 3.48 0.00 0.00 -1.26 -5.03 105.19 101.85 1ffi n GLY 68 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1ffi n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ffi s HIS 69 N -2.37 3.12 0.21 1.61 4.02 0.22 -5.07 115.29 117.04 1ffi s HIS 69 Ca 0.00 -0.30 -0.26 0.00 1.02 0.00 0.00 55.06 55.52 1ffi s HIS 69 Cb 0.00 -2.26 -0.09 0.00 -1.02 0.00 0.00 32.58 29.22 1ffi s HIS 69 CO 0.00 -0.30 0.83 0.15 1.02 0.00 0.00 174.74 176.44 1ffi s LYS 70 N 1.59 4.59 0.03 1.40 1.02 -1.26 0.60 119.74 127.70 1ffi s LYS 70 Ca 0.06 1.21 -0.07 0.00 0.02 0.00 0.00 55.97 57.20 1ffi s LYS 70 Cb -0.15 -3.14 -0.01 0.00 -0.52 0.00 0.00 37.83 34.02 1ffi s LYS 70 CO 0.05 0.49 0.12 0.00 -0.92 0.00 0.00 175.35 175.09 1ffi s ALA 71 N -1.28 -0.18 -0.02 5.17 0.00 -0.03 -4.81 121.76 120.60 1ffi s ALA 71 Ca 0.40 -0.40 0.04 0.00 0.00 0.00 0.00 51.96 52.00 1ffi s ALA 71 Cb -0.22 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 1ffi s ALA 71 CO 0.26 -0.30 -0.15 -1.50 0.00 0.00 0.00 175.76 174.07 1ffi s ILE 72 N -2.30 1.21 -1.44 0.00 2.07 -1.26 -0.69 121.20 118.79 1ffi s ILE 72 Ca -0.07 -0.64 0.00 0.00 -1.41 0.00 0.00 60.65 58.53 1ffi s ILE 72 Cb -0.03 -1.02 0.00 0.00 0.13 0.00 0.00 42.46 41.54 1ffi s ILE 72 CO -0.03 0.35 0.00 0.61 -1.91 0.00 0.00 174.94 173.96 1ffi n GLY 73 N 2.84 -1.10 3.74 1.50 0.00 -0.41 -4.90 105.19 106.85 1ffi n GLY 73 Ca -0.15 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 1ffi n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ffi s THR 74 N -3.00 4.06 -0.07 2.61 2.01 -1.26 -0.21 115.64 119.78 1ffi s THR 74 Ca 0.00 1.80 0.01 0.00 0.31 0.00 0.00 61.69 63.81 1ffi s THR 74 Cb 0.00 -4.15 0.02 0.00 0.01 0.00 0.00 72.50 68.38 1ffi s THR 74 CO 0.00 0.32 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.47 1ffi s VAL 75 N -0.31 0.96 -0.10 3.82 1.01 0.20 -4.44 120.40 121.54 1ffi s VAL 75 Ca 0.48 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 1ffi s VAL 75 Cb -0.27 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 1ffi s VAL 75 CO 0.33 0.33 0.29 -0.76 0.00 0.00 0.00 175.10 175.29 1ffi s LEU 76 N 0.99 4.35 -0.12 3.92 1.43 -0.11 -1.44 118.68 127.71 1ffi s LEU 76 Ca -0.09 0.64 0.03 0.00 -1.03 0.00 0.00 54.13 53.68 1ffi s LEU 76 Cb -0.15 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.71 1ffi s LEU 76 CO -0.00 0.25 -0.22 -0.69 0.23 0.00 0.00 176.35 175.92 1ffi s VAL 77 N -0.41 2.21 0.00 -1.59 1.01 0.04 -0.41 120.40 121.25 1ffi s VAL 77 Ca 0.18 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1ffi s VAL 77 Cb -0.14 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.37 1ffi s VAL 77 CO 0.07 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.33 1ffi n GLY 78 N 3.73 0.62 2.20 4.51 0.00 -0.31 -0.76 105.19 115.18 1ffi n GLY 78 Ca -0.19 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 1ffi n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ffi n PRO 79 N 0.00 1.76 -2.84 1.61 -0.04 -1.26 -2.98 135.00 131.24 1ffi n PRO 79 Ca 0.00 -0.96 -0.40 0.00 -0.04 0.00 0.00 63.50 62.10 1ffi n PRO 79 Cb 0.00 -2.02 -0.05 0.00 -0.04 0.00 0.00 33.50 31.38 1ffi n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1ffi s THR 80 N 1.81 4.44 -0.03 0.52 -1.32 -1.26 -4.94 115.64 114.86 1ffi s THR 80 Ca 0.50 1.91 0.32 0.00 -1.21 0.00 0.00 61.69 63.20 1ffi s THR 80 Cb 0.22 -4.24 0.36 0.00 -1.51 0.00 0.00 72.50 67.33 1ffi s THR 80 CO -0.01 0.40 1.93 1.55 -2.21 0.00 0.00 174.62 176.28 1ffi h PRO 81 N 5.08 0.00 -3.68 7.08 0.13 -1.99 -3.43 132.00 135.18 1ffi h PRO 81 Ca -0.44 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.46 1ffi h PRO 81 Cb 1.21 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.06 1ffi h PRO 81 CO 0.70 0.00 -0.70 0.08 -0.23 0.00 0.00 178.00 177.85 1ffi s VAL 82 N -3.59 -0.00 0.00 1.56 1.01 -1.26 -5.11 120.40 113.01 1ffi s VAL 82 Ca 0.02 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 1ffi s VAL 82 Cb 0.09 -0.04 -0.05 0.00 0.00 0.00 0.00 36.38 36.39 1ffi s VAL 82 CO 0.51 0.00 1.24 0.20 0.00 0.00 0.00 175.10 177.06 1ffi s ASN 83 N 0.05 7.02 -0.10 3.32 0.01 -1.26 -4.80 114.94 119.17 1ffi s ASN 83 Ca -0.00 1.95 0.03 0.00 -0.71 0.00 0.00 52.86 54.13 1ffi s ASN 83 Cb -0.01 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.10 1ffi s ASN 83 CO -0.00 -0.57 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.20 1ffi s ILE 84 N 1.81 1.71 -0.40 0.60 1.01 0.80 -0.54 121.20 126.20 1ffi s ILE 84 Ca 0.59 -0.80 -0.16 0.00 0.00 0.00 0.00 60.65 60.27 1ffi s ILE 84 Cb -0.28 -1.52 0.01 0.00 0.01 0.00 0.00 42.46 40.69 1ffi s ILE 84 CO 0.26 0.48 0.40 -0.63 0.00 0.00 0.00 174.94 175.45 1ffi s ILE 85 N 0.62 5.13 0.54 2.92 -1.09 -0.02 -0.93 121.20 128.37 1ffi s ILE 85 Ca -0.14 -0.28 -0.02 0.00 -2.23 0.00 0.00 60.65 57.99 1ffi s ILE 85 Cb -0.16 -3.97 0.11 0.00 -1.58 0.00 0.00 42.46 36.86 1ffi s ILE 85 CO 0.04 -0.32 0.74 0.61 -1.23 0.00 0.00 174.94 174.78 1ffi n GLY 86 N 5.07 0.37 0.29 6.18 0.00 -1.17 -1.55 105.19 114.38 1ffi n GLY 86 Ca -0.08 -1.96 0.07 0.00 0.00 0.00 0.00 46.02 44.05 1ffi n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ffi h ARG 87 N 0.00 0.25 -0.11 1.61 3.08 -0.92 -1.30 114.38 116.99 1ffi h ARG 87 Ca -0.24 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 59.82 1ffi h ARG 87 Cb 0.86 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 1ffi h ARG 87 CO 0.25 0.16 0.12 -2.95 -1.07 0.00 0.00 179.97 176.48 1ffi h ASN 88 N 0.26 0.00 0.00 7.04 -1.07 -1.81 -1.98 115.58 118.02 1ffi h ASN 88 Ca 0.09 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 56.25 1ffi h ASN 88 Cb 0.04 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.25 1ffi h ASN 88 CO -0.02 0.00 -1.85 0.18 0.07 0.00 0.00 177.43 175.81 1ffi n LEU 89 N -3.92 0.00 -0.22 6.14 4.77 -0.95 -4.42 117.00 118.40 1ffi n LEU 89 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ffi n LEU 89 Cb 0.22 0.29 0.24 0.00 -2.33 0.00 0.00 43.42 41.84 1ffi n LEU 89 CO 0.29 0.29 1.23 -0.07 -1.33 0.00 0.00 177.39 177.80 1ffi h LEU 90 N 0.00 0.87 -0.85 2.23 3.38 -0.90 -2.00 115.31 118.04 1ffi h LEU 90 Ca -0.31 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 1ffi h LEU 90 Cb 1.68 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 42.19 1ffi h LEU 90 CO 0.02 0.63 0.16 0.71 0.09 0.00 0.00 178.44 180.05 1ffi h THR 91 N 1.02 1.25 -0.36 0.22 1.35 -1.60 -0.93 112.91 113.86 1ffi h THR 91 Ca 0.27 -0.91 -0.06 0.00 -0.55 0.00 0.00 66.41 65.17 1ffi h THR 91 Cb -0.11 0.58 -0.02 0.00 -1.73 0.00 0.00 68.15 66.87 1ffi h THR 91 CO -0.06 0.35 -0.02 1.56 -0.25 0.00 0.00 175.52 177.10 1ffi h GLN 92 N 0.97 0.57 -0.21 4.72 1.08 -1.58 -1.71 115.11 118.95 1ffi h GLN 92 Ca 0.21 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1ffi h GLN 92 Cb 0.34 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1ffi h GLN 92 CO -0.00 0.60 0.00 0.44 -0.95 0.00 0.00 178.83 178.92 1ffi n ILE 93 N -4.26 0.27 -2.30 2.54 -5.35 -1.05 -4.92 119.36 104.29 1ffi n ILE 93 Ca 0.02 -0.37 -0.09 0.00 -0.27 0.00 0.00 62.75 62.04 1ffi n ILE 93 Cb 0.26 0.33 0.00 0.00 -1.74 0.00 0.00 39.64 38.50 1ffi n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ffi n GLY 94 N 1.11 0.08 3.74 3.28 0.00 -0.64 -5.02 105.19 107.74 1ffi n GLY 94 Ca 0.15 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 1ffi n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffi s ALA 95 N -2.55 3.33 0.04 4.61 0.00 -0.37 -5.03 121.76 121.80 1ffi s ALA 95 Ca 0.04 0.68 -0.01 0.00 0.00 0.00 0.00 51.96 52.66 1ffi s ALA 95 Cb -0.02 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1ffi s ALA 95 CO 0.05 0.02 -0.01 0.95 0.00 0.00 0.00 175.76 176.77 1ffi s THR 96 N -0.68 0.19 -0.14 0.00 -4.23 -1.26 -4.67 115.64 104.85 1ffi s THR 96 Ca 0.45 -1.53 -0.13 0.00 -1.18 0.00 0.00 61.69 59.30 1ffi s THR 96 Cb -0.27 -1.19 -0.05 0.00 1.34 0.00 0.00 72.50 72.34 1ffi s THR 96 CO 0.33 -0.84 0.27 -0.76 -0.54 0.00 0.00 174.62 173.07 1ffi s LEU 97 N -2.54 4.29 -0.02 4.79 1.43 -1.26 -5.09 118.68 120.29 1ffi s LEU 97 Ca 0.01 0.52 0.02 0.00 -1.03 0.00 0.00 54.13 53.65 1ffi s LEU 97 Cb 0.03 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.93 1ffi s LEU 97 CO -0.08 0.18 -0.06 0.20 0.23 0.00 0.00 176.35 176.82 1ffi s ASN 98 N 0.07 0.82 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.69 1ffi s ASN 98 Ca 0.16 -0.12 0.00 0.00 -1.57 0.00 0.00 52.86 51.33 1ffi s ASN 98 Cb -0.13 -0.18 0.00 0.00 -0.02 0.00 0.00 41.25 40.92 1ffi s ASN 98 CO 0.04 0.05 0.00 2.22 -2.57 0.00 0.00 177.10 176.84