#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1trv s VAL 2 N 0.00 0.00 -0.18 3.17 1.01 -1.26 -4.08 120.40 119.05 1trv s VAL 2 Ca 0.00 -1.98 -0.05 0.00 0.00 0.00 0.00 61.98 59.95 1trv s VAL 2 Cb 0.00 -2.50 0.09 0.00 0.00 0.00 0.00 36.38 33.97 1trv s VAL 2 CO 0.00 0.00 0.34 -0.75 0.00 0.00 0.00 175.10 174.69 1trv s LYS 3 N -3.58 0.26 -0.17 2.72 2.36 -1.13 -5.00 119.74 115.19 1trv s LYS 3 Ca 0.40 0.78 -0.29 0.00 -2.55 0.00 0.00 55.97 54.31 1trv s LYS 3 Cb 0.03 -0.05 -0.00 0.00 -1.05 0.00 0.00 37.83 36.76 1trv s LYS 3 CO 0.24 -0.36 1.08 -1.14 1.55 0.00 0.00 175.35 176.72 1trv s GLN 4 N 2.51 4.30 -0.20 4.03 0.74 -1.26 -1.75 119.66 128.04 1trv s GLN 4 Ca 0.03 1.44 -0.17 0.00 0.05 0.00 0.00 55.36 56.71 1trv s GLN 4 Cb -0.13 -3.63 -0.04 0.00 1.10 0.00 0.00 33.01 30.31 1trv s GLN 4 CO -0.12 -0.55 0.44 0.42 -0.55 0.00 0.00 175.29 174.93 1trv s ILE 5 N 2.88 5.17 -0.10 -2.34 -1.09 -0.89 -4.95 121.20 119.88 1trv s ILE 5 Ca 0.48 0.79 0.15 0.00 -2.23 0.00 0.00 60.65 59.84 1trv s ILE 5 Cb -0.18 -3.77 -0.22 0.00 -1.58 0.00 0.00 42.46 36.72 1trv s ILE 5 CO 0.12 0.23 0.53 -0.62 -1.23 0.00 0.00 174.94 173.97 1trv n GLU 6 N 4.56 0.65 -0.32 2.79 -0.58 -1.26 -4.50 120.64 121.97 1trv n GLU 6 Ca -0.07 0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1trv n GLU 6 Cb 0.51 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 1trv n GLU 6 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1trv n SER 7 N -2.90 0.00 0.12 1.62 3.41 -1.26 -4.06 113.62 110.54 1trv n SER 7 Ca -0.19 -0.30 -0.00 0.00 -0.26 0.00 0.00 58.87 58.11 1trv n SER 7 Cb 1.02 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.95 1trv n SER 7 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1trv h LYS 8 N 0.00 0.00 -0.32 4.33 3.64 -1.93 -3.07 116.57 119.22 1trv h LYS 8 Ca 0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1trv h LYS 8 Cb 0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1trv h LYS 8 CO 0.00 0.64 0.13 1.15 -2.27 0.00 0.00 179.45 179.10 1trv h THR 9 N 0.00 0.94 -0.05 1.00 2.02 -2.00 -1.23 112.91 113.58 1trv h THR 9 Ca -0.01 -0.09 -0.12 0.00 0.77 0.00 0.00 66.41 66.96 1trv h THR 9 Cb 1.49 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 1trv h THR 9 CO 0.08 0.05 -0.49 0.00 0.37 0.00 0.00 175.52 175.53 1trv h ALA 10 N 1.19 1.07 -0.25 6.16 0.00 -1.97 -2.65 119.26 122.81 1trv h ALA 10 Ca 0.14 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1trv h ALA 10 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1trv h ALA 10 CO -0.13 0.64 0.16 0.35 0.00 0.00 0.00 179.25 180.28 1trv h PHE 11 N 0.11 0.31 0.41 0.00 3.57 -1.17 1.04 116.94 121.21 1trv h PHE 11 Ca 0.00 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1trv h PHE 11 Cb 0.91 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.55 1trv h PHE 11 CO 0.01 0.20 -0.20 1.96 -2.23 0.00 0.00 178.31 178.05 1trv h GLN 12 N 0.34 -0.54 0.00 1.11 1.08 -1.18 -2.07 115.11 113.85 1trv h GLN 12 Ca 0.09 0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 1trv h GLN 12 Cb -0.04 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1trv h GLN 12 CO -0.02 -0.25 -0.05 0.93 -0.95 0.00 0.00 178.83 178.49 1trv h GLU 13 N -0.77 0.00 -0.15 1.46 5.08 -1.35 -2.21 114.58 116.64 1trv h GLU 13 Ca -0.06 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1trv h GLU 13 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1trv h GLU 13 CO 0.09 0.05 -0.05 0.00 -1.00 0.00 0.00 179.01 178.10 1trv h ALA 14 N 1.95 0.21 0.00 3.43 0.00 0.15 -2.35 119.26 122.65 1trv h ALA 14 Ca -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1trv h ALA 14 Cb 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1trv h ALA 14 CO 0.01 -0.01 -0.09 -0.07 0.00 0.00 0.00 179.25 179.08 1trv h LEU 15 N -0.01 0.00 -0.20 0.00 3.38 -0.80 -2.39 115.31 115.29 1trv h LEU 15 Ca 0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1trv h LEU 15 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1trv h LEU 15 CO 0.02 0.09 -0.41 -0.78 0.09 0.00 0.00 178.44 177.45 1trv h ASP 16 N 0.00 0.71 0.96 -0.43 1.82 -1.02 -3.01 116.42 115.45 1trv h ASP 16 Ca -0.00 -0.55 -0.04 0.00 -0.39 0.00 0.00 57.03 56.05 1trv h ASP 16 Cb 0.37 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.17 1trv h ASP 16 CO 0.01 1.13 -0.20 0.00 -1.61 0.00 0.00 179.24 178.57 1trv h ALA 17 N 0.60 1.01 0.00 -0.78 0.00 -1.02 -2.82 119.26 116.26 1trv h ALA 17 Ca 0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1trv h ALA 17 Cb 1.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1trv h ALA 17 CO 0.09 0.25 -0.25 0.00 0.00 0.00 0.00 179.25 179.34 1trv h ALA 18 N 1.80 1.54 0.00 0.00 0.00 -1.30 -3.47 119.26 117.82 1trv h ALA 18 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1trv h ALA 18 Cb 0.74 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1trv h ALA 18 CO 0.03 0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.00 1trv n GLY 19 N -0.77 1.74 0.00 0.00 0.00 -1.07 -3.51 105.19 101.58 1trv n GLY 19 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1trv n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1trv n ASP 20 N 6.93 0.00 -4.55 1.61 8.00 -1.26 -4.57 116.55 122.71 1trv n ASP 20 Ca 0.00 -1.00 -0.29 0.00 0.71 0.00 0.00 54.79 54.21 1trv n ASP 20 Cb 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.26 1trv n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1trv s LYS 21 N 0.00 0.79 0.76 -1.24 1.02 -1.23 -4.42 119.74 115.42 1trv s LYS 21 Ca 0.00 0.11 -0.13 0.00 0.02 0.00 0.00 55.97 55.96 1trv s LYS 21 Cb 0.00 -1.82 0.06 0.00 -0.52 0.00 0.00 37.83 35.55 1trv s LYS 21 CO 0.00 -2.40 1.16 -1.17 -0.92 0.00 0.00 175.35 172.03 1trv s LEU 22 N -6.10 3.20 -0.29 3.17 0.20 -1.26 -4.32 118.68 113.28 1trv s LEU 22 Ca 0.66 2.20 -0.00 0.00 0.69 0.00 0.00 54.13 57.68 1trv s LEU 22 Cb -0.12 -4.57 0.14 0.00 -0.43 0.00 0.00 46.19 41.21 1trv s LEU 22 CO 0.53 -2.30 0.31 -0.69 -0.29 0.00 0.00 176.35 173.92 1trv s VAL 23 N -2.29 -0.44 0.61 1.68 1.01 0.07 -3.09 120.40 117.95 1trv s VAL 23 Ca 0.70 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 62.21 1trv s VAL 23 Cb -0.25 -0.98 0.04 0.00 0.00 0.00 0.00 36.38 35.19 1trv s VAL 23 CO 0.48 -0.42 0.88 -0.69 0.00 0.00 0.00 175.10 175.35 1trv s VAL 24 N 2.40 2.79 0.02 2.92 1.01 -0.58 -0.17 120.40 128.80 1trv s VAL 24 Ca 0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 1trv s VAL 24 Cb -0.14 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 1trv s VAL 24 CO -0.32 -0.11 0.02 -0.69 0.00 0.00 0.00 175.10 174.01 1trv s VAL 25 N -2.97 0.11 -0.23 2.92 1.01 -0.45 -2.47 120.40 118.33 1trv s VAL 25 Ca 0.57 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1trv s VAL 25 Cb -0.10 -0.45 0.06 0.00 0.00 0.00 0.00 36.38 35.88 1trv s VAL 25 CO 0.42 -0.52 -0.07 -0.62 0.00 0.00 0.00 175.10 174.31 1trv s ASP 26 N -1.62 3.84 -0.53 3.32 -1.08 -1.00 -2.92 116.67 116.69 1trv s ASP 26 Ca -0.13 -1.15 -0.16 0.00 -0.52 0.00 0.00 52.55 50.59 1trv s ASP 26 Cb -0.07 -1.24 0.12 0.00 -1.46 0.00 0.00 42.92 40.27 1trv s ASP 26 CO -0.01 -0.21 0.49 -0.36 0.52 0.00 0.00 175.17 175.59 1trv s PHE 27 N 1.35 3.25 0.32 -5.34 0.40 0.18 -1.39 117.98 116.75 1trv s PHE 27 Ca -0.05 -1.24 0.02 0.00 -0.60 0.00 0.00 56.93 55.06 1trv s PHE 27 Cb -0.18 -3.72 0.02 0.00 0.51 0.00 0.00 43.02 39.65 1trv s PHE 27 CO -0.06 -0.99 0.20 -1.13 0.70 0.00 0.00 175.22 173.94 1trv n SER 28 N 5.25 2.16 -3.69 1.36 3.41 -1.17 -1.76 113.62 119.18 1trv n SER 28 Ca -0.14 -2.14 -0.27 0.00 -0.26 0.00 0.00 58.87 56.05 1trv n SER 28 Cb 0.40 0.02 -0.16 0.00 -0.26 0.00 0.00 64.21 64.21 1trv n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1trv s ALA 29 N -2.47 0.86 0.01 7.33 0.00 -1.05 -2.95 121.76 123.49 1trv s ALA 29 Ca 0.15 -0.69 -0.25 0.00 0.00 0.00 0.00 51.96 51.17 1trv s ALA 29 Cb -0.01 -1.19 -0.19 0.00 0.00 0.00 0.00 23.12 21.73 1trv s ALA 29 CO 0.10 -1.25 1.39 0.00 0.00 0.00 0.00 175.76 176.00 1trv h THR 30 N 6.48 1.23 -0.46 0.00 1.03 -1.97 -2.42 112.91 116.80 1trv h THR 30 Ca -0.16 -0.79 0.13 0.00 -0.01 0.00 0.00 66.41 65.58 1trv h THR 30 Cb 1.11 1.76 -0.02 0.00 -1.07 0.00 0.00 68.15 69.94 1trv h THR 30 CO 0.34 0.20 0.57 4.11 -0.01 0.00 0.00 175.52 180.74 1trv h TRP 31 N -0.38 0.00 -3.55 0.00 5.08 -1.95 -3.40 115.95 111.76 1trv h TRP 31 Ca -0.00 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.47 1trv h TRP 31 Cb 0.36 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.52 1trv h TRP 31 CO 0.04 0.00 0.04 0.00 -1.28 0.00 0.00 178.44 177.24 1trv n GLY 33 N -1.23 -0.61 0.18 0.00 0.00 -1.26 -4.33 105.19 97.94 1trv n GLY 33 Ca 0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 1trv n GLY 33 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1trv h PRO 34 N -0.25 0.23 -1.68 1.61 0.11 -1.96 -0.82 132.00 129.24 1trv h PRO 34 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1trv h PRO 34 Cb 0.15 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.21 1trv h PRO 34 CO 0.00 0.15 0.00 0.00 -0.21 0.00 0.00 178.00 177.94 1trv n LYS 36 N 1.19 0.00 0.00 0.00 4.81 -0.33 -2.51 118.16 121.32 1trv n LYS 36 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 1trv n LYS 36 Cb 0.34 -0.49 0.51 0.00 0.02 0.00 0.00 35.03 35.42 1trv n LYS 36 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1trv n MET 37 N -0.85 0.55 -0.38 1.64 0.00 -1.12 -2.05 117.12 114.92 1trv n MET 37 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 57.70 57.80 1trv n MET 37 Cb 0.00 -1.49 0.30 0.00 0.00 0.00 0.00 33.22 32.03 1trv n MET 37 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 1trv n ILE 38 N -0.99 1.02 0.09 3.17 5.41 -1.26 -4.30 119.36 122.51 1trv n ILE 38 Ca 0.13 -0.93 -0.01 0.00 1.00 0.00 0.00 62.75 62.94 1trv n ILE 38 Cb 0.06 0.39 -0.04 0.00 -0.71 0.00 0.00 39.64 39.34 1trv n ILE 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1trv h LYS 39 N 3.90 0.00 0.00 0.38 2.10 -1.77 -3.22 116.57 117.95 1trv h LYS 39 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1trv h LYS 39 Cb 0.97 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 1trv h LYS 39 CO 0.03 0.61 0.00 -0.35 -2.00 0.00 0.00 179.45 177.75 1trv n PRO 40 N -3.20 0.12 -0.07 0.07 -0.05 -1.26 -1.72 135.00 128.89 1trv n PRO 40 Ca -0.02 0.32 -0.05 0.00 -0.05 0.00 0.00 63.50 63.70 1trv n PRO 40 Cb 0.83 -1.71 -0.03 0.00 -0.05 0.00 0.00 33.50 32.54 1trv n PRO 40 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 175.50 176.19 1trv h PHE 41 N 0.00 0.00 0.37 0.54 -1.00 -1.85 -3.02 116.94 111.98 1trv h PHE 41 Ca 0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1trv h PHE 41 Cb 0.36 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.92 1trv h PHE 41 CO 0.00 0.23 -0.18 0.35 -1.61 0.00 0.00 178.31 177.10 1trv h PHE 42 N -1.00 -0.46 0.00 -0.55 3.57 -1.59 -2.24 116.94 114.67 1trv h PHE 42 Ca -0.04 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 1trv h PHE 42 Cb 0.45 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 1trv h PHE 42 CO -0.08 -0.25 -0.02 1.25 -2.23 0.00 0.00 178.31 176.99 1trv h HIS 43 N -0.55 0.00 -0.21 0.41 2.76 -1.54 -1.18 115.15 114.84 1trv h HIS 43 Ca -0.05 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.00 1trv h HIS 43 Cb 0.41 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.36 1trv h HIS 43 CO -0.04 0.02 -0.38 1.03 -1.30 0.00 0.00 177.93 177.26 1trv h SER 44 N 0.00 0.49 -0.18 3.26 0.87 -1.27 -2.53 113.55 114.19 1trv h SER 44 Ca -0.00 -0.20 0.05 0.00 -1.23 0.00 0.00 61.79 60.41 1trv h SER 44 Cb 0.07 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1trv h SER 44 CO 0.00 0.82 0.15 -0.07 -0.53 0.00 0.00 176.83 177.21 1trv h LEU 45 N 0.39 0.00 -0.96 2.23 3.38 -0.98 -2.01 115.31 117.35 1trv h LEU 45 Ca 0.04 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.24 1trv h LEU 45 Cb 0.84 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.47 1trv h LEU 45 CO 0.07 0.00 0.53 0.28 0.09 0.00 0.00 178.44 179.41 1trv h SER 46 N 0.00 0.57 0.92 -0.43 0.02 -1.53 0.36 113.55 113.46 1trv h SER 46 Ca 0.08 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1trv h SER 46 Cb 0.39 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1trv h SER 46 CO -0.00 0.08 -0.97 -0.62 -1.14 0.00 0.00 176.83 174.18 1trv n GLU 47 N -4.93 0.54 0.04 3.45 -0.58 -0.77 -3.93 120.64 114.47 1trv n GLU 47 Ca 0.25 0.10 -0.05 0.00 -0.42 0.00 0.00 57.16 57.04 1trv n GLU 47 Cb 0.70 -1.79 -0.10 0.00 -0.57 0.00 0.00 31.44 29.68 1trv n GLU 47 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1trv h LYS 48 N 0.00 0.00 -2.50 3.49 3.64 -0.76 -3.40 116.57 117.05 1trv h LYS 48 Ca 0.00 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.78 1trv h LYS 48 Cb 0.95 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.37 1trv h LYS 48 CO 0.00 0.68 -0.79 0.66 -2.27 0.00 0.00 179.45 177.73 1trv n TYR 49 N -3.18 1.47 0.89 1.91 4.01 0.10 -4.91 117.16 117.44 1trv n TYR 49 Ca -0.06 -3.85 0.07 0.00 -0.16 0.00 0.00 57.90 53.90 1trv n TYR 49 Cb 0.94 -0.30 0.43 0.00 -0.31 0.00 0.00 39.34 40.09 1trv n TYR 49 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1trv n SER 50 N 1.89 0.00 -1.30 7.72 3.41 -1.25 -1.84 113.62 122.24 1trv n SER 50 Ca 0.25 -0.34 0.10 0.00 -0.26 0.00 0.00 58.87 58.63 1trv n SER 50 Cb 0.43 -0.07 0.31 0.00 -0.26 0.00 0.00 64.21 64.62 1trv n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1trv n ASN 51 N -1.07 3.79 -4.16 4.04 5.15 -1.26 -4.90 115.26 116.84 1trv n ASN 51 Ca 0.10 -2.08 -0.20 0.00 -0.60 0.00 0.00 54.58 51.81 1trv n ASN 51 Cb 0.07 -0.47 -0.13 0.00 -0.53 0.00 0.00 39.78 38.72 1trv n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1trv s VAL 52 N -1.23 1.15 -0.30 3.44 1.01 -0.77 -4.75 120.40 118.94 1trv s VAL 52 Ca 0.46 -1.13 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 1trv s VAL 52 Cb 0.25 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1trv s VAL 52 CO 0.29 -0.07 0.24 -0.63 0.00 0.00 0.00 175.10 174.94 1trv s ILE 53 N -1.00 5.27 -0.13 2.22 -1.09 -1.18 -4.79 121.20 120.50 1trv s ILE 53 Ca 0.01 0.08 -0.03 0.00 -2.23 0.00 0.00 60.65 58.48 1trv s ILE 53 Cb -0.09 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.13 1trv s ILE 53 CO 0.02 0.13 -0.03 -0.36 -1.23 0.00 0.00 174.94 173.46 1trv s PHE 54 N 1.81 3.05 0.36 3.97 0.08 -1.26 -1.53 117.98 124.46 1trv s PHE 54 Ca 0.08 -0.13 0.08 0.00 0.12 0.00 0.00 56.93 57.08 1trv s PHE 54 Cb -0.16 -1.89 -0.04 0.00 -0.57 0.00 0.00 43.02 40.35 1trv s PHE 54 CO 0.11 0.13 0.18 -0.51 -0.10 0.00 0.00 175.22 175.02 1trv s LEU 55 N -0.06 3.27 -0.23 -0.37 1.02 -1.03 -2.84 118.68 118.44 1trv s LEU 55 Ca 0.02 -0.80 -0.04 0.00 0.02 0.00 0.00 54.13 53.33 1trv s LEU 55 Cb -0.13 -1.74 0.08 0.00 0.02 0.00 0.00 46.19 44.41 1trv s LEU 55 CO 0.02 -0.37 0.10 -0.70 0.02 0.00 0.00 176.35 175.43 1trv s GLU 56 N -3.89 0.23 0.15 1.70 2.12 -0.72 -2.37 118.70 115.93 1trv s GLU 56 Ca 0.39 -0.38 0.04 0.00 0.36 0.00 0.00 54.97 55.39 1trv s GLU 56 Cb -0.02 -1.61 -0.04 0.00 0.26 0.00 0.00 34.13 32.72 1trv s GLU 56 CO 0.23 -0.83 0.17 0.08 -0.54 0.00 0.00 175.26 174.38 1trv s VAL 57 N 2.05 4.75 -0.17 3.70 1.01 -0.49 -2.10 120.40 129.15 1trv s VAL 57 Ca 0.05 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1trv s VAL 57 Cb -0.16 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.82 1trv s VAL 57 CO -0.21 -0.08 -0.18 -0.62 0.00 0.00 0.00 175.10 174.01 1trv s ASP 58 N -3.06 3.03 0.00 3.32 2.15 -1.26 -3.02 116.67 117.82 1trv s ASP 58 Ca 0.32 -0.62 0.01 0.00 0.43 0.00 0.00 52.55 52.69 1trv s ASP 58 Cb -0.11 -1.40 0.08 0.00 -0.30 0.00 0.00 42.92 41.20 1trv s ASP 58 CO 0.25 -0.02 0.39 1.33 -0.17 0.00 0.00 175.17 176.95 1trv n VAL 59 N 4.66 0.00 -0.01 1.11 0.24 -1.15 -0.46 118.33 122.72 1trv n VAL 59 Ca -0.20 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.09 1trv n VAL 59 Cb 0.50 -0.44 -0.00 0.00 -1.47 0.00 0.00 33.84 32.43 1trv n VAL 59 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1trv n ASP 60 N -0.58 2.43 0.06 -1.34 9.92 -1.26 -4.35 116.55 121.44 1trv n ASP 60 Ca 0.01 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.29 1trv n ASP 60 Cb 0.00 -0.02 -0.05 0.00 -0.64 0.00 0.00 41.12 40.41 1trv n ASP 60 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1trv h ASP 61 N -0.02 0.00 -1.01 -2.24 3.58 -1.87 -3.36 116.42 111.51 1trv h ASP 61 Ca -0.02 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.87 1trv h ASP 61 Cb 1.03 0.00 -0.43 0.00 1.72 0.00 0.00 39.33 41.66 1trv h ASP 61 CO -0.01 0.51 -0.80 0.00 -2.88 0.00 0.00 179.24 176.06 1trv n ALA 62 N -2.34 4.93 0.24 -0.78 0.00 0.39 -4.73 120.51 118.23 1trv n ALA 62 Ca -0.06 -3.93 0.12 0.00 0.00 0.00 0.00 53.44 49.57 1trv n ALA 62 Cb 0.79 -0.42 0.66 0.00 0.00 0.00 0.00 19.45 20.48 1trv n ALA 62 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1trv h GLN 63 N 2.35 0.00 -0.29 0.00 4.20 -1.72 0.00 115.11 119.65 1trv h GLN 63 Ca 0.32 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.86 1trv h GLN 63 Cb 1.31 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.09 1trv h GLN 63 CO 0.77 0.00 -0.47 0.38 -0.67 0.00 0.00 178.83 178.84 1trv h ASP 64 N 0.00 0.92 0.76 1.46 2.03 -1.91 -2.14 116.42 117.54 1trv h ASP 64 Ca 0.00 -0.52 -0.24 0.00 -0.73 0.00 0.00 57.03 55.54 1trv h ASP 64 Cb 0.40 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 38.62 1trv h ASP 64 CO 0.00 1.26 -1.09 0.58 -1.03 0.00 0.00 179.24 178.96 1trv h VAL 65 N 0.61 1.58 -0.45 4.15 2.07 -1.33 -3.04 116.25 119.84 1trv h VAL 65 Ca 0.02 -3.12 -0.02 0.00 0.82 0.00 0.00 66.70 64.41 1trv h VAL 65 Cb 1.07 2.82 -0.02 0.00 -1.52 0.00 0.00 31.29 33.65 1trv h VAL 65 CO 0.11 0.90 0.21 0.00 0.02 0.00 0.00 177.57 178.81 1trv h ALA 66 N 0.80 0.58 0.00 1.67 0.00 -1.39 -1.67 119.26 119.25 1trv h ALA 66 Ca -0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1trv h ALA 66 Cb 1.81 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 1trv h ALA 66 CO 0.16 0.15 -0.16 1.03 0.00 0.00 0.00 179.25 180.43 1trv h SER 67 N 0.58 0.00 0.27 0.00 0.87 -1.44 0.23 113.55 114.07 1trv h SER 67 Ca 0.15 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1trv h SER 67 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1trv h SER 67 CO -0.02 0.16 -0.13 -0.08 -0.53 0.00 0.00 176.83 176.24 1trv h GLU 68 N 0.00 -0.35 -0.00 2.24 4.57 -1.18 -2.53 114.58 117.33 1trv h GLU 68 Ca -0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1trv h GLU 68 Cb 0.44 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1trv h GLU 68 CO 0.02 -0.09 -0.03 0.00 -1.18 0.00 0.00 179.01 177.73 1trv n ALA 69 N -2.37 2.63 -3.33 2.92 0.00 -1.07 -4.93 120.51 114.36 1trv n ALA 69 Ca -0.10 -0.21 -0.17 0.00 0.00 0.00 0.00 53.44 52.96 1trv n ALA 69 Cb 0.23 -1.44 0.06 0.00 0.00 0.00 0.00 19.45 18.30 1trv n ALA 69 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1trv n GLU 70 N -1.03 -1.91 -2.81 0.00 4.07 0.02 -4.90 120.64 114.08 1trv n GLU 70 Ca 0.17 0.84 -0.43 0.00 -0.06 0.00 0.00 57.16 57.69 1trv n GLU 70 Cb 0.22 -5.40 -0.04 0.00 -0.06 0.00 0.00 31.44 26.16 1trv n GLU 70 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1trv s VAL 71 N -3.36 4.38 -0.46 6.31 1.01 -0.88 -4.84 120.40 122.56 1trv s VAL 71 Ca 0.41 0.52 0.14 0.00 0.00 0.00 0.00 61.98 63.06 1trv s VAL 71 Cb -0.08 -4.52 0.46 0.00 0.00 0.00 0.00 36.38 32.24 1trv s VAL 71 CO 0.77 -1.03 1.37 0.29 0.00 0.00 0.00 175.10 176.50 1trv n LYS 72 N 7.44 2.95 -3.20 2.72 4.76 -1.26 -4.87 118.16 126.70 1trv n LYS 72 Ca 0.04 -2.56 -0.00 0.00 -2.87 0.00 0.00 58.31 52.92 1trv n LYS 72 Cb 0.48 -1.64 -0.02 0.00 -1.84 0.00 0.00 35.03 32.00 1trv n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1trv s ALA 73 N -2.15 -1.96 0.14 7.82 0.00 -1.26 -5.16 121.76 119.19 1trv s ALA 73 Ca 0.36 1.18 0.03 0.00 0.00 0.00 0.00 51.96 53.52 1trv s ALA 73 Cb 0.26 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 1trv s ALA 73 CO 0.12 -1.56 0.22 0.95 0.00 0.00 0.00 175.76 175.48 1trv s THR 74 N 2.75 5.04 0.71 0.00 -4.23 -1.26 -4.18 115.64 114.47 1trv s THR 74 Ca 0.14 -0.76 -0.11 0.00 -1.18 0.00 0.00 61.69 59.78 1trv s THR 74 Cb -0.13 -3.56 0.01 0.00 1.34 0.00 0.00 72.50 70.17 1trv s THR 74 CO -0.23 -0.05 1.07 -2.16 -0.54 0.00 0.00 174.62 172.71 1trv s PRO 75 N -3.03 2.85 -0.02 3.99 0.04 -1.26 -4.93 135.00 132.62 1trv s PRO 75 Ca 0.33 0.74 -0.08 0.00 0.04 0.00 0.00 61.00 62.03 1trv s PRO 75 Cb -0.11 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.44 1trv s PRO 75 CO 0.26 -1.11 0.19 0.99 0.04 0.00 0.00 177.00 177.37 1trv s THR 76 N -3.16 0.05 0.04 1.26 2.01 -0.72 -3.31 115.64 111.82 1trv s THR 76 Ca 0.58 -0.45 0.07 0.00 0.31 0.00 0.00 61.69 62.21 1trv s THR 76 Cb -0.13 -0.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.94 1trv s THR 76 CO 0.54 -0.25 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.66 1trv s PHE 77 N -0.92 1.80 0.02 4.92 0.40 -0.88 -0.64 117.98 122.67 1trv s PHE 77 Ca -0.10 -0.37 0.05 0.00 -0.60 0.00 0.00 56.93 55.90 1trv s PHE 77 Cb -0.05 -1.08 -0.02 0.00 0.51 0.00 0.00 43.02 42.38 1trv s PHE 77 CO 0.02 0.09 -0.15 -0.65 0.70 0.00 0.00 175.22 175.22 1trv s GLN 78 N -1.16 1.06 -0.35 0.44 -0.21 -1.15 -2.02 119.66 116.28 1trv s GLN 78 Ca 0.07 -0.68 -0.08 0.00 0.02 0.00 0.00 55.36 54.69 1trv s GLN 78 Cb -0.09 -1.06 0.03 0.00 1.00 0.00 0.00 33.01 32.89 1trv s GLN 78 CO 0.02 0.28 0.15 -0.06 -2.12 0.00 0.00 175.29 173.55 1trv s PHE 79 N -0.65 3.25 0.14 0.91 0.40 0.11 -1.34 117.98 120.80 1trv s PHE 79 Ca 0.04 -1.22 0.07 0.00 -0.60 0.00 0.00 56.93 55.22 1trv s PHE 79 Cb -0.07 -2.35 -0.04 0.00 0.51 0.00 0.00 43.02 41.07 1trv s PHE 79 CO 0.01 -0.69 -0.02 -0.06 0.70 0.00 0.00 175.22 175.15 1trv s PHE 80 N 1.47 2.86 -0.17 0.36 0.08 0.77 -1.78 117.98 121.56 1trv s PHE 80 Ca -0.00 -0.11 -0.10 0.00 0.12 0.00 0.00 56.93 56.84 1trv s PHE 80 Cb -0.19 -1.43 0.06 0.00 -0.57 0.00 0.00 43.02 40.88 1trv s PHE 80 CO 0.04 0.49 0.43 0.21 -0.10 0.00 0.00 175.22 176.29 1trv s LYS 81 N -2.62 0.42 -1.16 0.44 2.20 -0.67 -0.75 119.74 117.60 1trv s LYS 81 Ca 0.26 0.79 0.00 0.00 -0.36 0.00 0.00 55.97 56.66 1trv s LYS 81 Cb -0.10 0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.23 1trv s LYS 81 CO 0.18 -0.15 0.00 1.63 -0.36 0.00 0.00 175.35 176.65 1trv n LYS 82 N 4.10 -1.37 -1.81 4.03 5.02 -1.26 0.87 118.16 127.74 1trv n LYS 82 Ca -0.22 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 1trv n LYS 82 Cb 0.56 -4.85 0.00 0.00 -0.02 0.00 0.00 35.03 30.72 1trv n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1trv n GLY 83 N -0.12 0.56 2.89 0.72 0.00 -1.26 -5.05 105.19 102.92 1trv n GLY 83 Ca -0.11 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 1trv n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1trv s GLN 84 N -3.72 1.00 0.01 1.61 -1.52 0.25 -5.11 119.66 112.19 1trv s GLN 84 Ca 0.00 -0.13 -0.30 0.00 -1.95 0.00 0.00 55.36 52.98 1trv s GLN 84 Cb 0.00 -1.04 -0.07 0.00 -0.22 0.00 0.00 33.01 31.68 1trv s GLN 84 CO 0.00 -0.13 1.64 0.21 -0.25 0.00 0.00 175.29 176.75 1trv s LYS 85 N 1.19 4.20 -0.00 2.91 2.20 -1.26 -1.68 119.74 127.30 1trv s LYS 85 Ca -0.06 2.25 0.04 0.00 -0.36 0.00 0.00 55.97 57.83 1trv s LYS 85 Cb -0.14 -3.77 -0.05 0.00 -1.51 0.00 0.00 37.83 32.36 1trv s LYS 85 CO -0.02 -0.77 0.13 1.33 -0.36 0.00 0.00 175.35 175.67 1trv n VAL 86 N 5.04 0.00 -3.62 4.02 0.24 -0.73 -4.97 118.33 118.31 1trv n VAL 86 Ca 0.16 -0.28 -0.02 0.00 -2.04 0.00 0.00 64.34 62.17 1trv n VAL 86 Cb 0.42 0.76 -0.02 0.00 -1.47 0.00 0.00 33.84 33.53 1trv n VAL 86 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1trv s GLY 87 N -1.82 -0.27 -0.07 7.63 0.00 -1.19 -5.02 107.32 106.58 1trv s GLY 87 Ca 0.00 1.65 -0.32 0.00 0.00 0.00 0.00 44.72 46.05 1trv s GLY 87 CO 0.16 0.52 1.15 -1.83 0.00 0.00 0.00 173.10 173.11 1trv s GLU 88 N -2.15 0.52 -0.01 2.90 -1.05 -1.26 0.07 118.70 117.72 1trv s GLU 88 Ca 0.12 -0.23 -0.29 0.00 -0.15 0.00 0.00 54.97 54.41 1trv s GLU 88 Cb 0.00 0.21 0.10 0.00 -0.44 0.00 0.00 34.13 34.01 1trv s GLU 88 CO -0.03 -0.23 1.04 -0.59 0.95 0.00 0.00 175.26 176.40 1trv s PHE 89 N -2.63 -0.19 0.02 4.83 -0.12 -0.86 -4.99 117.98 114.04 1trv s PHE 89 Ca 0.10 0.04 0.05 0.00 -0.05 0.00 0.00 56.93 57.07 1trv s PHE 89 Cb 0.01 0.56 -0.02 0.00 -0.63 0.00 0.00 43.02 42.94 1trv s PHE 89 CO -0.04 -0.50 -0.14 -1.54 -0.05 0.00 0.00 175.22 172.95 1trv s SER 90 N -2.62 1.63 0.00 1.98 1.04 -1.26 -2.08 113.70 112.39 1trv s SER 90 Ca 0.09 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1trv s SER 90 Cb -0.00 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1trv s SER 90 CO -0.04 0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.87 1trv n GLY 91 N 2.24 4.20 1.52 7.32 0.00 -1.21 -4.96 105.19 114.31 1trv n GLY 91 Ca -0.16 -0.47 -0.02 0.00 0.00 0.00 0.00 46.02 45.37 1trv n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1trv n ALA 92 N -1.28 4.06 -3.36 4.61 0.00 -1.26 -4.69 120.51 118.59 1trv n ALA 92 Ca 0.00 -0.16 -0.45 0.00 0.00 0.00 0.00 53.44 52.83 1trv n ALA 92 Cb 0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.40 1trv n ALA 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1trv s ASN 93 N 1.80 6.99 0.52 0.00 3.84 -1.26 -4.86 114.94 121.97 1trv s ASN 93 Ca 0.03 -3.25 0.16 0.00 0.21 0.00 0.00 52.86 50.01 1trv s ASN 93 Cb 0.02 -2.18 1.27 0.00 -0.55 0.00 0.00 41.25 39.81 1trv s ASN 93 CO -0.00 -0.39 2.14 0.07 -2.79 0.00 0.00 177.10 176.13 1trv h LYS 94 N 7.05 0.00 -0.10 0.43 -0.00 -1.98 -1.29 116.57 120.68 1trv h LYS 94 Ca 0.15 0.00 -0.10 0.00 -0.00 0.00 0.00 60.65 60.70 1trv h LYS 94 Cb 0.93 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.15 1trv h LYS 94 CO 0.90 0.01 -0.38 0.93 -0.00 0.00 0.00 179.45 180.91 1trv h GLU 95 N 0.00 0.20 -0.31 0.07 5.08 -1.99 -2.69 114.58 114.94 1trv h GLU 95 Ca -0.00 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1trv h GLU 95 Cb 0.02 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1trv h GLU 95 CO 0.00 0.56 0.08 -0.22 -1.00 0.00 0.00 179.01 178.43 1trv h LYS 96 N 0.17 0.45 -0.96 2.33 3.64 -1.64 -1.99 116.57 118.58 1trv h LYS 96 Ca 0.02 -0.06 0.22 0.00 -1.27 0.00 0.00 60.65 59.55 1trv h LYS 96 Cb 0.75 -0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.41 1trv h LYS 96 CO 0.06 0.41 0.62 -0.07 -2.27 0.00 0.00 179.45 178.20 1trv h LEU 97 N 0.44 0.46 0.43 5.20 3.38 -1.50 0.32 115.31 124.04 1trv h LEU 97 Ca 0.11 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1trv h LEU 97 Cb 0.17 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1trv h LEU 97 CO -0.00 0.16 -0.21 -0.08 0.09 0.00 0.00 178.44 178.39 1trv h GLU 98 N 0.44 -0.56 -0.23 1.13 4.57 -1.50 0.17 114.58 118.60 1trv h GLU 98 Ca 0.52 0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.80 1trv h GLU 98 Cb 1.24 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.95 1trv h GLU 98 CO -0.23 -0.37 0.19 0.00 -1.18 0.00 0.00 179.01 177.42 1trv h ALA 99 N -1.68 2.07 -0.14 2.92 0.00 -1.51 -1.64 119.26 119.28 1trv h ALA 99 Ca -0.06 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1trv h ALA 99 Cb 0.45 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1trv h ALA 99 CO 0.10 -0.30 -0.32 1.15 0.00 0.00 0.00 179.25 179.88 1trv h THR 100 N 0.00 1.37 -0.56 0.00 2.02 -0.12 -2.99 112.91 112.63 1trv h THR 100 Ca 0.11 -1.60 0.03 0.00 0.77 0.00 0.00 66.41 65.72 1trv h THR 100 Cb 0.48 2.04 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 1trv h THR 100 CO -0.00 0.48 0.37 0.40 0.37 0.00 0.00 175.52 177.14 1trv h ILE 101 N 0.07 1.08 0.00 3.11 2.04 0.30 0.44 117.51 124.54 1trv h ILE 101 Ca -0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1trv h ILE 101 Cb 0.92 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1trv h ILE 101 CO 0.07 0.12 0.00 -3.20 0.00 0.00 0.00 178.15 175.14 1trv n ASN 102 N -4.47 0.00 -0.04 1.72 2.85 -1.01 -2.11 115.26 112.21 1trv n ASN 102 Ca 0.06 -0.76 -0.07 0.00 -0.11 0.00 0.00 54.58 53.70 1trv n ASN 102 Cb 0.12 -0.02 -0.06 0.00 1.24 0.00 0.00 39.78 41.06 1trv n ASN 102 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1trv h GLU 103 N 0.00 -0.03 -0.49 1.20 4.81 0.03 -3.35 114.58 116.75 1trv h GLU 103 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1trv h GLU 103 Cb 0.02 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1trv h GLU 103 CO 0.00 0.43 0.00 1.28 -0.73 0.00 0.00 179.01 179.99 1trv n LEU 104 N -4.73 4.92 0.00 1.64 4.77 -1.22 -5.13 117.00 117.24 1trv n LEU 104 Ca -0.05 -2.83 0.01 0.00 -0.03 0.00 0.00 56.01 53.11 1trv n LEU 104 Cb 0.23 -0.61 0.09 0.00 -2.33 0.00 0.00 43.42 40.80 1trv n LEU 104 CO 0.17 0.68 0.33 0.55 -1.33 0.00 0.00 177.39 177.79