#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fgc s GLN 2 N 0.00 3.29 -0.24 0.54 0.74 -1.26 -5.10 119.66 117.64 1fgc s GLN 2 Ca 0.00 -0.71 -0.04 0.00 0.05 0.00 0.00 55.36 54.66 1fgc s GLN 2 Cb 0.00 -2.68 -0.00 0.00 1.10 0.00 0.00 33.01 31.42 1fgc s GLN 2 CO 0.00 0.05 -0.02 0.42 -0.55 0.00 0.00 175.29 175.18 1fgc s ILE 3 N 0.77 3.42 0.79 -2.34 1.01 -1.26 -5.10 121.20 118.48 1fgc s ILE 3 Ca -0.05 -0.59 -0.12 0.00 0.00 0.00 0.00 60.65 59.89 1fgc s ILE 3 Cb -0.15 -2.61 0.06 0.00 0.01 0.00 0.00 42.46 39.77 1fgc s ILE 3 CO 0.01 0.34 1.16 0.42 0.00 0.00 0.00 174.94 176.87 1fgc s THR 4 N 1.46 2.39 -0.21 2.92 -4.23 -1.26 -5.02 115.64 111.69 1fgc s THR 4 Ca 0.05 0.13 0.14 0.00 -1.18 0.00 0.00 61.69 60.82 1fgc s THR 4 Cb -0.15 -3.12 0.46 0.00 1.34 0.00 0.00 72.50 71.03 1fgc s THR 4 CO -0.02 -0.16 1.36 0.18 -0.54 0.00 0.00 174.62 175.43 1fgc n LEU 5 N -3.25 3.53 0.03 4.79 4.77 -1.26 -4.58 117.00 121.03 1fgc n LEU 5 Ca 0.08 -3.40 -0.01 0.00 -0.03 0.00 0.00 56.01 52.65 1fgc n LEU 5 Cb 0.60 -0.55 0.29 0.00 -2.33 0.00 0.00 43.42 41.42 1fgc n LEU 5 CO 0.57 0.97 0.86 -0.50 -1.33 0.00 0.00 177.39 177.96 1fgc h TRP 6 N 1.06 0.48 -2.17 -1.77 4.06 -2.06 -3.43 115.95 112.11 1fgc h TRP 6 Ca 0.08 -0.06 -0.58 0.00 2.06 0.00 0.00 58.89 60.38 1fgc h TRP 6 Cb 1.38 -0.13 -0.14 0.00 -1.00 0.00 0.00 29.16 29.28 1fgc h TRP 6 CO 0.62 0.55 -0.69 0.15 -3.56 0.00 0.00 178.44 175.51 1fgc s LYS 7 N -4.77 1.72 0.23 0.49 -0.14 -1.26 -5.10 119.74 110.92 1fgc s LYS 7 Ca -0.07 -1.88 -0.32 0.00 -1.36 0.00 0.00 55.97 52.35 1fgc s LYS 7 Cb 0.15 -1.54 -0.13 0.00 -1.68 0.00 0.00 37.83 34.63 1fgc s LYS 7 CO 0.77 0.13 1.56 0.54 -0.76 0.00 0.00 175.35 177.58 1fgc n ARG 8 N -0.71 2.39 -2.39 1.68 1.74 -1.26 -4.85 116.66 113.25 1fgc n ARG 8 Ca -0.05 0.85 -0.37 0.00 -0.77 0.00 0.00 57.85 57.51 1fgc n ARG 8 Cb 0.63 -2.61 -0.03 0.00 -1.02 0.00 0.00 32.46 29.44 1fgc n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1fgc s PRO 9 N 0.17 3.40 -0.16 5.56 0.04 -1.26 -4.94 135.00 137.80 1fgc s PRO 9 Ca 0.71 -1.53 -0.10 0.00 0.04 0.00 0.00 61.00 60.11 1fgc s PRO 9 Cb -0.59 -5.40 -0.05 0.00 0.04 0.00 0.00 34.50 28.51 1fgc s PRO 9 CO 0.43 -2.85 0.17 -0.51 0.04 0.00 0.00 177.00 174.29 1fgc s LEU 10 N 6.75 4.29 0.11 -3.56 1.43 -1.26 -0.93 118.68 125.50 1fgc s LEU 10 Ca 0.58 0.39 0.02 0.00 -1.03 0.00 0.00 54.13 54.09 1fgc s LEU 10 Cb 0.01 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 1fgc s LEU 10 CO 0.07 0.25 -0.07 0.68 0.23 0.00 0.00 176.35 177.50 1fgc s VAL 11 N -0.14 0.81 0.08 -1.59 -7.23 0.70 -4.90 120.40 108.13 1fgc s VAL 11 Ca 0.12 -1.95 -0.28 0.00 -1.81 0.00 0.00 61.98 58.06 1fgc s VAL 11 Cb -0.12 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.06 1fgc s VAL 11 CO 0.02 -0.83 0.90 -0.89 -0.31 0.00 0.00 175.10 173.99 1fgc s THR 12 N -3.51 4.62 0.23 5.32 2.01 -1.26 0.73 115.64 123.78 1fgc s THR 12 Ca 0.13 1.93 0.07 0.00 0.31 0.00 0.00 61.69 64.14 1fgc s THR 12 Cb 0.04 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.24 1fgc s THR 12 CO -0.03 0.31 -0.12 0.27 -0.69 0.00 0.00 174.62 174.36 1fgc s ILE 13 N 0.12 1.73 -0.13 1.82 -4.36 0.15 -1.19 121.20 119.34 1fgc s ILE 13 Ca 0.45 -2.19 0.00 0.00 -0.26 0.00 0.00 60.65 58.65 1fgc s ILE 13 Cb -0.22 -2.17 0.02 0.00 1.25 0.00 0.00 42.46 41.34 1fgc s ILE 13 CO 0.27 -0.51 -0.12 -0.75 0.24 0.00 0.00 174.94 174.07 1fgc s LYS 14 N -3.67 2.04 -0.14 0.37 2.47 0.31 -1.13 119.74 120.01 1fgc s LYS 14 Ca 0.25 -0.47 -0.12 0.00 -1.56 0.00 0.00 55.97 54.07 1fgc s LYS 14 Cb 0.00 -1.89 0.04 0.00 -1.46 0.00 0.00 37.83 34.52 1fgc s LYS 14 CO 0.08 -0.20 0.36 -1.50 0.16 0.00 0.00 175.35 174.25 1fgc s ILE 15 N 1.42 -0.01 -1.63 5.43 2.07 -0.21 -0.82 121.20 127.46 1fgc s ILE 15 Ca 0.02 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.28 1fgc s ILE 15 Cb -0.13 -0.51 0.00 0.00 0.13 0.00 0.00 42.46 41.94 1fgc s ILE 15 CO -0.08 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.57 1fgc n GLY 16 N 3.17 0.17 1.92 1.50 0.00 -1.26 -0.86 105.19 109.83 1fgc n GLY 16 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1fgc n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fgc n GLY 17 N -0.75 0.49 3.29 -0.02 0.00 -1.26 -5.04 105.19 101.90 1fgc n GLY 17 Ca -0.20 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 1fgc n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fgc s GLN 18 N -0.48 1.34 -0.12 1.61 -0.21 -0.04 -5.13 119.66 116.63 1fgc s GLN 18 Ca 0.00 -1.08 -0.12 0.00 0.02 0.00 0.00 55.36 54.19 1fgc s GLN 18 Cb 0.00 -1.55 -0.05 0.00 1.00 0.00 0.00 33.01 32.41 1fgc s GLN 18 CO 0.00 0.38 0.26 -0.51 -2.12 0.00 0.00 175.29 173.30 1fgc s LEU 19 N -1.52 4.32 0.18 2.90 1.43 -1.26 -1.04 118.68 123.69 1fgc s LEU 19 Ca 0.08 0.55 -0.07 0.00 -1.03 0.00 0.00 54.13 53.66 1fgc s LEU 19 Cb -0.09 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 1fgc s LEU 19 CO 0.03 0.23 0.25 -0.54 0.23 0.00 0.00 176.35 176.55 1fgc s LYS 20 N -0.22 1.18 -0.19 1.70 1.02 -0.28 -4.96 119.74 117.98 1fgc s LYS 20 Ca 0.16 -1.29 -0.09 0.00 0.02 0.00 0.00 55.97 54.77 1fgc s LYS 20 Cb -0.13 0.35 -0.05 0.00 -0.52 0.00 0.00 37.83 37.49 1fgc s LYS 20 CO 0.05 -0.42 0.10 -1.21 -0.92 0.00 0.00 175.35 172.95 1fgc s GLU 21 N -4.02 4.08 0.09 1.68 0.41 -1.26 0.32 118.70 120.01 1fgc s GLU 21 Ca 0.22 -0.28 0.06 0.00 -0.41 0.00 0.00 54.97 54.57 1fgc s GLU 21 Cb 0.04 -3.33 -0.03 0.00 -1.78 0.00 0.00 34.13 29.03 1fgc s GLU 21 CO 0.03 0.28 -0.17 0.00 -0.49 0.00 0.00 175.26 174.91 1fgc s ALA 22 N 0.40 1.46 -0.27 5.21 0.00 0.22 -4.40 121.76 124.39 1fgc s ALA 22 Ca 0.06 -1.14 -0.17 0.00 0.00 0.00 0.00 51.96 50.71 1fgc s ALA 22 Cb -0.12 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1fgc s ALA 22 CO -0.01 0.23 0.49 -1.17 0.00 0.00 0.00 175.76 175.30 1fgc s LEU 23 N -1.91 4.06 -0.45 0.00 2.96 0.20 -0.21 118.68 123.32 1fgc s LEU 23 Ca 0.03 0.46 -0.29 0.00 -0.22 0.00 0.00 54.13 54.12 1fgc s LEU 23 Cb -0.09 -2.62 0.01 0.00 0.50 0.00 0.00 46.19 43.99 1fgc s LEU 23 CO 0.03 -0.28 1.41 -0.76 -1.32 0.00 0.00 176.35 175.43 1fgc s LEU 24 N 2.27 3.54 -0.40 -0.68 1.43 -0.11 -1.02 118.68 123.72 1fgc s LEU 24 Ca 0.20 0.67 -0.03 0.00 -1.03 0.00 0.00 54.13 53.95 1fgc s LEU 24 Cb -0.16 -3.42 0.11 0.00 0.03 0.00 0.00 46.19 42.75 1fgc s LEU 24 CO 0.09 -1.51 0.19 -0.62 0.23 0.00 0.00 176.35 174.73 1fgc s ASP 25 N 4.06 5.22 0.37 2.29 -1.08 -0.36 -4.77 116.67 122.39 1fgc s ASP 25 Ca 0.59 -1.99 0.28 0.00 -0.52 0.00 0.00 52.55 50.90 1fgc s ASP 25 Cb -0.13 -1.81 1.21 0.00 -1.46 0.00 0.00 42.92 40.73 1fgc s ASP 25 CO 0.31 -0.52 1.82 0.71 0.52 0.00 0.00 175.17 178.01 1fgc h THR 26 N 6.38 0.00 -0.46 1.71 1.35 -1.93 -2.47 112.91 117.48 1fgc h THR 26 Ca -0.13 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1fgc h THR 26 Cb 1.05 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1fgc h THR 26 CO 0.68 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.56 1fgc n GLY 27 N -0.23 1.21 3.39 5.82 0.00 -1.26 -4.82 105.19 109.29 1fgc n GLY 27 Ca 0.01 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 1fgc n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fgc s ALA 28 N -1.38 2.69 0.09 4.61 0.00 -0.93 -5.01 121.76 121.83 1fgc s ALA 28 Ca 0.32 -0.90 -0.15 0.00 0.00 0.00 0.00 51.96 51.24 1fgc s ALA 28 Cb 0.17 -1.30 -0.10 0.00 0.00 0.00 0.00 23.12 21.89 1fgc s ALA 28 CO 0.22 0.20 1.39 -0.44 0.00 0.00 0.00 175.76 177.13 1fgc h ASP 29 N 6.80 0.74 -0.96 0.00 3.32 -1.88 -0.42 116.42 124.01 1fgc h ASP 29 Ca -0.28 -0.50 -0.61 0.00 0.02 0.00 0.00 57.03 55.67 1fgc h ASP 29 Cb 1.21 -0.21 -0.09 0.00 0.22 0.00 0.00 39.33 40.46 1fgc h ASP 29 CO 0.57 1.09 -0.46 -1.81 -1.72 0.00 0.00 179.24 176.91 1fgc s ASP 30 N -6.58 4.36 -0.21 6.45 1.01 -1.26 -2.67 116.67 117.77 1fgc s ASP 30 Ca -0.12 -1.31 -0.08 0.00 0.71 0.00 0.00 52.55 51.74 1fgc s ASP 30 Cb 0.08 0.07 -0.04 0.00 1.01 0.00 0.00 42.92 44.04 1fgc s ASP 30 CO 0.83 -0.78 0.08 -0.89 0.21 0.00 0.00 175.17 174.62 1fgc s THR 31 N -2.74 4.74 -0.18 -1.27 2.01 -1.26 -3.03 115.64 113.92 1fgc s THR 31 Ca 0.28 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.25 1fgc s THR 31 Cb 0.02 -3.17 0.03 0.00 0.01 0.00 0.00 72.50 69.39 1fgc s THR 31 CO 0.16 0.41 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.65 1fgc s VAL 32 N 0.82 1.82 -0.02 3.82 1.01 0.09 -0.44 120.40 127.49 1fgc s VAL 32 Ca 0.04 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1fgc s VAL 32 Cb -0.13 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1fgc s VAL 32 CO 0.02 0.41 -0.02 -0.63 0.00 0.00 0.00 175.10 174.88 1fgc s ILE 33 N 1.37 4.03 0.52 2.22 -1.09 0.51 0.24 121.20 128.99 1fgc s ILE 33 Ca 0.03 -0.58 -0.20 0.00 -2.23 0.00 0.00 60.65 57.67 1fgc s ILE 33 Cb -0.14 -2.76 -0.09 0.00 -1.58 0.00 0.00 42.46 37.89 1fgc s ILE 33 CO -0.11 0.43 0.78 -1.84 -1.23 0.00 0.00 174.94 172.97 1fgc n GLU 34 N 1.60 0.85 -1.66 2.79 0.28 -1.26 -2.43 120.64 120.81 1fgc n GLU 34 Ca -0.16 0.32 -0.59 0.00 -0.16 0.00 0.00 57.16 56.58 1fgc n GLU 34 Cb 0.53 -1.90 -0.08 0.00 1.43 0.00 0.00 31.44 31.43 1fgc n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1fgc n GLU 35 N -0.18 0.74 -3.70 3.44 4.07 -0.74 -4.60 120.64 119.67 1fgc n GLU 35 Ca 0.12 0.27 -0.14 0.00 -0.06 0.00 0.00 57.16 57.35 1fgc n GLU 35 Cb 0.44 -1.88 -0.09 0.00 -0.06 0.00 0.00 31.44 29.85 1fgc n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1fgc s MET 36 N 2.16 0.61 -1.02 5.31 0.23 -1.26 -5.00 119.30 120.32 1fgc s MET 36 Ca 0.95 0.67 -0.21 0.00 -1.03 0.00 0.00 55.69 56.07 1fgc s MET 36 Cb -1.16 0.30 -0.10 0.00 -1.53 0.00 0.00 34.83 32.34 1fgc s MET 36 CO 0.63 -0.08 1.94 0.43 -2.03 0.00 0.00 175.02 175.91 1fgc n SER 37 N 2.71 3.06 -4.73 -1.18 7.64 -1.26 -4.94 113.62 114.92 1fgc n SER 37 Ca -0.14 -2.72 -0.40 0.00 1.01 0.00 0.00 58.87 56.61 1fgc n SER 37 Cb 0.56 -1.43 -0.04 0.00 -1.01 0.00 0.00 64.21 62.29 1fgc n SER 37 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1fgc s LEU 38 N 4.67 4.40 0.62 -3.43 2.96 -1.26 -5.05 118.68 121.60 1fgc s LEU 38 Ca 0.59 1.46 -0.10 0.00 -0.22 0.00 0.00 54.13 55.86 1fgc s LEU 38 Cb 0.09 -3.30 -0.03 0.00 0.50 0.00 0.00 46.19 43.45 1fgc s LEU 38 CO 0.10 -0.09 1.02 -2.16 -1.32 0.00 0.00 176.35 173.90 1fgc s PRO 39 N 0.40 3.42 0.00 0.98 0.04 -1.26 -4.99 135.00 133.59 1fgc s PRO 39 Ca 0.42 0.62 0.00 0.00 0.04 0.00 0.00 61.00 62.08 1fgc s PRO 39 Cb -0.20 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1fgc s PRO 39 CO 0.23 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 177.05 1fgc n GLY 40 N -2.76 2.47 3.77 0.56 0.00 -1.26 -5.04 105.19 102.94 1fgc n GLY 40 Ca 0.06 -2.09 -0.38 0.00 0.00 0.00 0.00 46.02 43.60 1fgc n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fgc s ARG 41 N -2.19 4.48 0.16 1.61 6.06 -1.26 -5.05 118.95 122.76 1fgc s ARG 41 Ca 0.00 1.61 -0.07 0.00 -2.50 0.00 0.00 55.73 54.77 1fgc s ARG 41 Cb 0.00 -2.92 -0.02 0.00 0.06 0.00 0.00 34.95 32.08 1fgc s ARG 41 CO 0.00 0.12 0.22 1.67 -2.50 0.00 0.00 175.30 174.82 1fgc s TRP 42 N -1.40 0.54 -0.04 5.12 1.48 -1.26 -4.53 118.94 118.85 1fgc s TRP 42 Ca 0.50 -0.91 0.03 0.00 -1.06 0.00 0.00 56.10 54.66 1fgc s TRP 42 Cb -0.26 -0.18 0.00 0.00 -1.16 0.00 0.00 33.47 31.88 1fgc s TRP 42 CO 0.33 -0.67 -0.11 0.21 -4.06 0.00 0.00 176.95 172.65 1fgc s LYS 43 N -4.00 1.26 0.40 3.25 2.20 -0.52 -4.91 119.74 117.42 1fgc s LYS 43 Ca 0.20 -0.38 -0.27 0.00 -0.36 0.00 0.00 55.97 55.16 1fgc s LYS 43 Cb 0.04 -1.12 -0.10 0.00 -1.51 0.00 0.00 37.83 35.14 1fgc s LYS 43 CO 0.01 0.12 1.42 -2.14 -0.36 0.00 0.00 175.35 174.40 1fgc s PRO 44 N 0.27 3.97 0.03 4.03 0.02 -1.26 -0.04 135.00 142.02 1fgc s PRO 44 Ca -0.06 2.43 -0.10 0.00 0.02 0.00 0.00 61.00 63.29 1fgc s PRO 44 Cb -0.11 -2.85 0.01 0.00 0.02 0.00 0.00 34.50 31.57 1fgc s PRO 44 CO 0.01 -0.59 0.21 0.21 -0.33 0.00 0.00 177.00 176.52 1fgc s LYS 45 N -2.20 0.67 -0.13 5.54 2.20 -0.71 -4.82 119.74 120.29 1fgc s LYS 45 Ca 0.56 -0.53 0.02 0.00 -0.36 0.00 0.00 55.97 55.65 1fgc s LYS 45 Cb -0.44 0.28 0.02 0.00 -1.51 0.00 0.00 37.83 36.18 1fgc s LYS 45 CO 0.58 -0.19 -0.17 1.41 -0.36 0.00 0.00 175.35 176.62 1fgc s MET 46 N -2.25 2.43 0.08 4.03 -2.45 -1.26 -0.57 119.30 119.30 1fgc s MET 46 Ca -0.07 -0.63 0.08 0.00 -1.25 0.00 0.00 55.69 53.82 1fgc s MET 46 Cb -0.02 -2.07 -0.03 0.00 1.25 0.00 0.00 34.83 33.96 1fgc s MET 46 CO -0.02 -0.09 -0.21 0.96 1.05 0.00 0.00 175.02 176.70 1fgc s ILE 47 N 1.06 1.75 0.32 10.11 -4.36 -0.71 -4.95 121.20 124.42 1fgc s ILE 47 Ca -0.04 -1.42 0.05 0.00 -0.26 0.00 0.00 60.65 58.97 1fgc s ILE 47 Cb -0.15 -1.56 -0.03 0.00 1.25 0.00 0.00 42.46 41.97 1fgc s ILE 47 CO -0.04 0.07 0.20 -0.83 0.24 0.00 0.00 174.94 174.58 1fgc s GLY 48 N -1.62 2.22 0.00 6.27 0.00 -1.26 -0.46 107.32 112.48 1fgc s GLY 48 Ca 0.08 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 43.00 1fgc s GLY 48 CO 0.03 -1.56 0.00 0.61 0.00 0.00 0.00 173.10 172.18 1fgc n GLY 49 N -0.63 0.97 3.72 0.20 0.00 -0.52 -4.98 105.19 103.94 1fgc n GLY 49 Ca 0.03 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1fgc n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fgc s ILE 50 N -0.13 2.63 0.00 -0.61 1.01 -1.26 -2.15 121.20 120.68 1fgc s ILE 50 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.11 1fgc s ILE 50 Cb 0.00 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.18 1fgc s ILE 50 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.59 1fgc n GLY 51 N 3.62 3.13 0.00 6.18 0.00 -1.26 -4.92 105.19 111.94 1fgc n GLY 51 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1fgc n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fgc n GLY 52 N -2.00 0.44 3.62 -0.02 0.00 -0.92 -5.09 105.19 101.22 1fgc n GLY 52 Ca 0.00 -1.94 -0.23 0.00 0.00 0.00 0.00 46.02 43.84 1fgc n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fgc s PHE 53 N -1.22 2.63 0.02 1.61 0.40 -1.26 -1.45 117.98 118.71 1fgc s PHE 53 Ca 0.00 -0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.11 1fgc s PHE 53 Cb 0.00 -1.16 -0.01 0.00 0.51 0.00 0.00 43.02 42.35 1fgc s PHE 53 CO 0.00 0.63 -0.06 0.96 0.70 0.00 0.00 175.22 177.46 1fgc s ILE 54 N -2.34 0.40 0.06 0.64 -4.36 0.40 -4.96 121.20 111.04 1fgc s ILE 54 Ca 0.31 -0.60 -0.27 0.00 -0.26 0.00 0.00 60.65 59.83 1fgc s ILE 54 Cb -0.06 -0.42 -0.05 0.00 1.25 0.00 0.00 42.46 43.18 1fgc s ILE 54 CO 0.19 -0.14 0.84 -0.54 0.24 0.00 0.00 174.94 175.52 1fgc s LYS 55 N -0.80 4.56 0.25 0.37 1.02 -1.26 -1.74 119.74 122.13 1fgc s LYS 55 Ca -0.04 1.20 0.02 0.00 0.02 0.00 0.00 55.97 57.16 1fgc s LYS 55 Cb -0.06 -3.38 -0.05 0.00 -0.52 0.00 0.00 37.83 33.82 1fgc s LYS 55 CO -0.00 0.23 0.08 0.14 -0.92 0.00 0.00 175.35 174.88 1fgc s VAL 56 N 0.08 0.62 -0.22 3.17 -7.23 0.26 -4.40 120.40 112.68 1fgc s VAL 56 Ca 0.42 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.55 1fgc s VAL 56 Cb -0.21 -2.58 -0.01 0.00 0.56 0.00 0.00 36.38 34.14 1fgc s VAL 56 CO 0.25 -0.06 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.80 1fgc s ARG 57 N -4.01 3.37 -0.26 4.82 0.52 0.64 -1.74 118.95 122.28 1fgc s ARG 57 Ca 0.36 -0.63 -0.24 0.00 -0.52 0.00 0.00 55.73 54.70 1fgc s ARG 57 Cb 0.08 -2.98 -0.00 0.00 0.52 0.00 0.00 34.95 32.56 1fgc s ARG 57 CO 0.13 -0.18 0.80 -1.14 0.02 0.00 0.00 175.30 174.92 1fgc s GLN 58 N 1.42 4.12 -0.16 3.54 0.74 0.94 -1.08 119.66 129.18 1fgc s GLN 58 Ca 0.05 0.80 -0.03 0.00 0.05 0.00 0.00 55.36 56.24 1fgc s GLN 58 Cb -0.14 -3.67 -0.02 0.00 1.10 0.00 0.00 33.01 30.28 1fgc s GLN 58 CO -0.03 -0.55 -0.07 0.71 -0.55 0.00 0.00 175.29 174.79 1fgc s TYR 59 N 2.84 2.94 0.21 1.67 1.51 -0.27 -1.44 117.35 124.82 1fgc s TYR 59 Ca 0.33 -0.51 0.01 0.00 -1.01 0.00 0.00 57.07 55.89 1fgc s TYR 59 Cb -0.15 -1.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.72 1fgc s TYR 59 CO 0.09 -0.18 0.37 -0.51 -1.11 0.00 0.00 175.55 174.22 1fgc s ASP 60 N 0.53 6.35 -1.42 2.29 1.01 -1.26 -0.99 116.67 123.18 1fgc s ASP 60 Ca -0.05 0.29 -0.02 0.00 0.71 0.00 0.00 52.55 53.47 1fgc s ASP 60 Cb -0.15 -1.96 0.02 0.00 1.01 0.00 0.00 42.92 41.84 1fgc s ASP 60 CO 0.03 -0.05 0.54 0.00 0.21 0.00 0.00 175.17 175.90 1fgc n GLN 61 N -0.89 -3.76 -3.44 8.23 6.02 -1.09 -4.90 117.38 117.54 1fgc n GLN 61 Ca -0.06 0.46 -0.37 0.00 -0.01 0.00 0.00 57.00 57.02 1fgc n GLN 61 Cb 0.55 -4.77 -0.07 0.00 1.02 0.00 0.00 30.24 26.97 1fgc n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1fgc s ILE 62 N -3.81 5.26 0.00 5.09 -1.09 0.12 -4.75 121.20 122.02 1fgc s ILE 62 Ca 0.10 0.72 -0.28 0.00 -2.23 0.00 0.00 60.65 58.96 1fgc s ILE 62 Cb -0.05 -3.71 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 1fgc s ILE 62 CO 0.87 0.36 0.91 -0.63 -1.23 0.00 0.00 174.94 175.22 1fgc s ILE 63 N 0.55 4.86 -0.00 2.92 1.01 -1.26 -1.31 121.20 127.96 1fgc s ILE 63 Ca 0.20 1.91 -0.01 0.00 0.00 0.00 0.00 60.65 62.75 1fgc s ILE 63 Cb -0.14 -4.25 -0.00 0.00 0.01 0.00 0.00 42.46 38.08 1fgc s ILE 63 CO 0.07 0.21 0.02 -0.51 0.00 0.00 0.00 174.94 174.72 1fgc s ILE 64 N 0.78 0.02 -0.19 2.92 2.07 -0.30 -4.47 121.20 122.04 1fgc s ILE 64 Ca 0.48 -0.18 -0.04 0.00 -1.41 0.00 0.00 60.65 59.49 1fgc s ILE 64 Cb -0.21 -0.09 -0.02 0.00 0.13 0.00 0.00 42.46 42.27 1fgc s ILE 64 CO 0.26 -0.10 -0.03 -0.70 -1.91 0.00 0.00 174.94 172.46 1fgc s GLU 65 N -0.29 3.57 -0.31 3.50 2.12 -0.00 -0.81 118.70 126.48 1fgc s GLU 65 Ca -0.03 -0.55 -0.02 0.00 0.36 0.00 0.00 54.97 54.72 1fgc s GLU 65 Cb -0.02 -3.00 0.05 0.00 0.26 0.00 0.00 34.13 31.42 1fgc s GLU 65 CO -0.00 0.04 0.02 0.42 -0.54 0.00 0.00 175.26 175.20 1fgc s ILE 66 N 0.90 3.11 -1.48 -3.70 1.01 0.28 -0.53 121.20 120.80 1fgc s ILE 66 Ca 0.00 -1.36 -0.05 0.00 0.00 0.00 0.00 60.65 59.23 1fgc s ILE 66 Cb -0.14 -2.79 0.04 0.00 0.01 0.00 0.00 42.46 39.57 1fgc s ILE 66 CO 0.01 -0.13 0.56 0.00 0.00 0.00 0.00 174.94 175.38 1fgc n ALA 67 N 4.65 -1.79 -0.49 9.38 0.00 -0.33 0.35 120.51 132.28 1fgc n ALA 67 Ca -0.13 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1fgc n ALA 67 Cb 0.43 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1fgc n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fgc n GLY 68 N -1.81 1.70 3.58 0.00 0.00 -1.26 -5.01 105.19 102.39 1fgc n GLY 68 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 1fgc n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1fgc s HIS 69 N -3.37 3.22 0.28 1.61 4.02 0.15 -5.08 115.29 116.13 1fgc s HIS 69 Ca 0.00 0.08 -0.28 0.00 1.02 0.00 0.00 55.06 55.88 1fgc s HIS 69 Cb 0.00 -2.40 -0.09 0.00 -1.02 0.00 0.00 32.58 29.06 1fgc s HIS 69 CO 0.00 -0.19 0.98 0.15 1.02 0.00 0.00 174.74 176.70 1fgc s LYS 70 N 1.77 4.69 0.07 1.40 1.02 -1.26 0.99 119.74 128.42 1fgc s LYS 70 Ca 0.07 1.51 -0.11 0.00 0.02 0.00 0.00 55.97 57.47 1fgc s LYS 70 Cb -0.16 -3.08 0.01 0.00 -0.52 0.00 0.00 37.83 34.08 1fgc s LYS 70 CO 0.11 0.34 0.24 0.00 -0.92 0.00 0.00 175.35 175.12 1fgc s ALA 71 N -1.33 -0.44 -0.09 5.17 0.00 0.01 -4.77 121.76 120.31 1fgc s ALA 71 Ca 0.45 -0.32 -0.02 0.00 0.00 0.00 0.00 51.96 52.07 1fgc s ALA 71 Cb -0.25 0.41 0.04 0.00 0.00 0.00 0.00 23.12 23.31 1fgc s ALA 71 CO 0.31 -0.46 0.04 -1.50 0.00 0.00 0.00 175.76 174.16 1fgc s ILE 72 N -3.17 0.14 0.00 0.00 2.07 -1.26 -1.15 121.20 117.83 1fgc s ILE 72 Ca -0.01 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 1fgc s ILE 72 Cb 0.02 -0.47 0.00 0.00 0.13 0.00 0.00 42.46 42.14 1fgc s ILE 72 CO -0.07 0.08 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 1fgc n GLY 73 N 5.21 1.88 3.72 1.50 0.00 -0.43 -4.85 105.19 112.23 1fgc n GLY 73 Ca -0.06 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 1fgc n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fgc s THR 74 N -2.56 4.79 -0.08 2.61 2.01 -1.26 0.12 115.64 121.27 1fgc s THR 74 Ca 0.00 1.92 0.02 0.00 0.31 0.00 0.00 61.69 63.94 1fgc s THR 74 Cb 0.00 -4.26 0.01 0.00 0.01 0.00 0.00 72.50 68.27 1fgc s THR 74 CO 0.00 0.23 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.35 1fgc s VAL 75 N 0.61 1.21 -0.22 3.82 1.01 -0.17 -4.42 120.40 122.25 1fgc s VAL 75 Ca 0.47 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 1fgc s VAL 75 Cb -0.21 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 1fgc s VAL 75 CO 0.26 0.38 0.22 -0.76 0.00 0.00 0.00 175.10 175.20 1fgc s LEU 76 N 0.83 4.15 -0.14 3.92 1.43 0.42 -1.11 118.68 128.18 1fgc s LEU 76 Ca -0.11 0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1fgc s LEU 76 Cb -0.15 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.82 1fgc s LEU 76 CO 0.02 0.06 -0.09 -0.69 0.23 0.00 0.00 176.35 175.87 1fgc s VAL 77 N 0.93 3.37 -0.01 -1.59 1.01 -0.25 -0.36 120.40 123.50 1fgc s VAL 77 Ca 0.11 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 1fgc s VAL 77 Cb -0.13 -2.44 0.03 0.00 0.00 0.00 0.00 36.38 33.83 1fgc s VAL 77 CO 0.04 0.51 0.39 0.61 0.00 0.00 0.00 175.10 176.65 1fgc n GLY 78 N 3.57 0.48 2.28 4.51 0.00 -1.02 -0.26 105.19 114.75 1fgc n GLY 78 Ca -0.18 -0.89 -0.06 0.00 0.00 0.00 0.00 46.02 44.88 1fgc n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fgc n PRO 79 N -0.28 1.01 -2.86 1.61 -0.04 -1.26 -1.79 135.00 131.39 1fgc n PRO 79 Ca 0.01 -0.53 -0.40 0.00 -0.04 0.00 0.00 63.50 62.55 1fgc n PRO 79 Cb 0.18 -1.78 -0.05 0.00 -0.04 0.00 0.00 33.50 31.81 1fgc n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1fgc s THR 80 N 2.10 4.38 0.26 0.52 -1.32 -1.26 -4.95 115.64 115.37 1fgc s THR 80 Ca 0.33 1.88 0.28 0.00 -1.21 0.00 0.00 61.69 62.97 1fgc s THR 80 Cb 0.15 -4.23 0.30 0.00 -1.51 0.00 0.00 72.50 67.21 1fgc s THR 80 CO -0.00 0.44 1.98 1.55 -2.21 0.00 0.00 174.62 176.37 1fgc h PRO 81 N 4.81 0.00 -3.85 7.08 0.13 -1.98 -3.43 132.00 134.76 1fgc h PRO 81 Ca -0.45 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.49 1fgc h PRO 81 Cb 1.21 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 1fgc h PRO 81 CO 0.69 0.13 -0.69 0.08 -0.23 0.00 0.00 178.00 177.98 1fgc s VAL 82 N -3.87 0.07 -0.08 1.56 1.01 -1.26 -5.08 120.40 112.75 1fgc s VAL 82 Ca -0.01 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 1fgc s VAL 82 Cb 0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.28 1fgc s VAL 82 CO 0.59 -0.30 1.26 0.20 0.00 0.00 0.00 175.10 176.84 1fgc s ASN 83 N -0.90 6.98 -0.18 3.32 0.01 -1.26 -4.68 114.94 118.23 1fgc s ASN 83 Ca -0.10 1.82 -0.01 0.00 -0.71 0.00 0.00 52.86 53.86 1fgc s ASN 83 Cb -0.06 -2.55 -0.00 0.00 0.41 0.00 0.00 41.25 39.04 1fgc s ASN 83 CO -0.00 -0.66 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.18 1fgc s ILE 84 N 2.67 2.90 -0.39 0.60 1.01 0.14 0.63 121.20 128.75 1fgc s ILE 84 Ca 0.57 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 60.39 1fgc s ILE 84 Cb -0.25 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 39.97 1fgc s ILE 84 CO 0.20 0.48 0.35 -0.63 0.00 0.00 0.00 174.94 175.34 1fgc s ILE 85 N 1.09 5.19 0.57 2.92 -1.09 -0.19 -0.73 121.20 128.97 1fgc s ILE 85 Ca 0.00 -0.37 -0.01 0.00 -2.23 0.00 0.00 60.65 58.04 1fgc s ILE 85 Cb -0.14 -3.91 0.11 0.00 -1.58 0.00 0.00 42.46 36.94 1fgc s ILE 85 CO -0.03 -0.26 0.78 0.61 -1.23 0.00 0.00 174.94 174.81 1fgc n GLY 86 N 5.10 0.53 0.26 6.18 0.00 -1.17 -1.23 105.19 114.87 1fgc n GLY 86 Ca -0.10 -1.99 0.09 0.00 0.00 0.00 0.00 46.02 44.02 1fgc n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1fgc h ARG 87 N 0.00 0.00 -0.33 1.61 3.08 -1.08 -0.40 114.38 117.27 1fgc h ARG 87 Ca -0.26 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.85 1fgc h ARG 87 Cb 0.93 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 1fgc h ARG 87 CO 0.27 0.04 0.22 -2.95 -1.07 0.00 0.00 179.97 176.48 1fgc h ASN 88 N 0.00 0.16 0.00 7.04 -1.07 -1.77 -2.00 115.58 117.93 1fgc h ASN 88 Ca -0.00 0.00 -0.30 0.00 0.07 0.00 0.00 56.30 56.07 1fgc h ASN 88 Cb 0.07 -0.03 -0.06 0.00 -2.07 0.00 0.00 38.32 36.23 1fgc h ASN 88 CO 0.00 0.11 -2.12 0.18 0.07 0.00 0.00 177.43 175.67 1fgc n LEU 89 N -4.48 0.18 -0.01 6.14 4.77 -0.83 -4.28 117.00 118.49 1fgc n LEU 89 Ca 0.04 -0.01 0.03 0.00 -0.03 0.00 0.00 56.01 56.04 1fgc n LEU 89 Cb 0.27 0.34 0.38 0.00 -2.33 0.00 0.00 43.42 42.08 1fgc n LEU 89 CO 0.35 0.43 1.12 -0.07 -1.33 0.00 0.00 177.39 177.89 1fgc h LEU 90 N 0.00 0.50 -0.78 2.23 3.38 -0.89 -1.28 115.31 118.47 1fgc h LEU 90 Ca -0.44 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.37 1fgc h LEU 90 Cb 1.99 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 1fgc h LEU 90 CO 0.02 0.41 -0.50 0.71 0.09 0.00 0.00 178.44 179.17 1fgc h THR 91 N 0.58 1.34 -0.23 0.22 1.35 -1.58 -0.06 112.91 114.52 1fgc h THR 91 Ca 0.15 -1.73 -0.11 0.00 -0.55 0.00 0.00 66.41 64.16 1fgc h THR 91 Cb 0.02 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 1fgc h THR 91 CO -0.02 0.52 -0.33 1.56 -0.25 0.00 0.00 175.52 177.00 1fgc h GLN 92 N 0.22 0.48 -0.20 4.72 4.20 -1.43 -2.66 115.11 120.45 1fgc h GLN 92 Ca 0.01 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1fgc h GLN 92 Cb 0.96 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.73 1fgc h GLN 92 CO 0.08 0.76 0.00 0.44 -0.67 0.00 0.00 178.83 179.43 1fgc n ILE 93 N -4.07 0.26 -1.84 2.54 -5.35 -0.96 -4.93 119.36 105.00 1fgc n ILE 93 Ca -0.01 -0.36 -0.08 0.00 -0.27 0.00 0.00 62.75 62.04 1fgc n ILE 93 Cb 0.46 0.31 -0.01 0.00 -1.74 0.00 0.00 39.64 38.65 1fgc n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fgc n GLY 94 N 1.09 0.36 3.75 3.28 0.00 -1.00 -5.01 105.19 107.65 1fgc n GLY 94 Ca 0.15 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 1fgc n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fgc s ALA 95 N -2.35 3.44 0.10 4.61 0.00 -0.05 -5.02 121.76 122.48 1fgc s ALA 95 Ca 0.00 0.98 0.03 0.00 0.00 0.00 0.00 51.96 52.97 1fgc s ALA 95 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1fgc s ALA 95 CO 0.00 -0.33 -0.09 0.95 0.00 0.00 0.00 175.76 176.28 1fgc s THR 96 N -0.62 0.90 -0.20 0.00 -4.23 -1.26 -4.70 115.64 105.53 1fgc s THR 96 Ca 0.49 -1.68 -0.09 0.00 -1.18 0.00 0.00 61.69 59.24 1fgc s THR 96 Cb -0.33 -1.40 -0.04 0.00 1.34 0.00 0.00 72.50 72.06 1fgc s THR 96 CO 0.41 -0.61 0.10 -0.22 -0.54 0.00 0.00 174.62 173.76 1fgc s LEU 97 N -2.53 3.92 -0.05 4.79 2.96 -1.26 -5.09 118.68 121.41 1fgc s LEU 97 Ca 0.06 0.09 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 1fgc s LEU 97 Cb -0.02 -2.01 0.01 0.00 0.50 0.00 0.00 46.19 44.67 1fgc s LEU 97 CO -0.01 0.13 -0.10 0.20 -1.32 0.00 0.00 176.35 175.26 1fgc s ASN 98 N 0.64 1.46 0.00 3.68 -0.87 -1.26 -5.30 114.94 113.28 1fgc s ASN 98 Ca 0.05 -0.23 0.00 0.00 -1.57 0.00 0.00 52.86 51.11 1fgc s ASN 98 Cb -0.13 -0.58 0.00 0.00 -0.02 0.00 0.00 41.25 40.52 1fgc s ASN 98 CO 0.01 0.03 0.00 2.22 -2.57 0.00 0.00 177.10 176.80