#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 0.13 -0.14 3.17 1.01 -1.26 -4.40 120.40 118.91 1trv s VAL 2 Ca 0.00 -2.00 -0.05 0.00 0.00 0.00 0.00 61.98 59.93 1trv s VAL 2 Cb 0.00 -2.49 0.07 0.00 0.00 0.00 0.00 36.38 33.96 1trv s VAL 2 CO 0.00 0.00 0.30 -0.75 0.00 0.00 0.00 175.10 174.65 1trv s LYS 3 N -3.71 0.20 -0.03 2.72 2.20 -1.21 -5.01 119.74 114.90 1trv s LYS 3 Ca 0.38 0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 56.48 1trv s LYS 3 Cb 0.04 0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.37 1trv s LYS 3 CO 0.21 -0.26 1.00 -1.14 -0.36 0.00 0.00 175.35 174.80 1trv s GLN 4 N 2.32 4.51 -0.18 4.03 0.74 -1.26 -1.30 119.66 128.51 1trv s GLN 4 Ca -0.01 1.43 -0.18 0.00 0.05 0.00 0.00 55.36 56.65 1trv s GLN 4 Cb -0.12 -3.48 -0.04 0.00 1.10 0.00 0.00 33.01 30.47 1trv s GLN 4 CO -0.10 -0.15 0.50 0.42 -0.55 0.00 0.00 175.29 175.41 1trv s ILE 5 N 1.36 5.13 -0.08 -2.34 -1.09 -0.42 -4.94 121.20 118.83 1trv s ILE 5 Ca 0.51 0.95 0.14 0.00 -2.23 0.00 0.00 60.65 60.02 1trv s ILE 5 Cb -0.21 -3.83 -0.23 0.00 -1.58 0.00 0.00 42.46 36.61 1trv s ILE 5 CO 0.25 0.22 0.55 -0.62 -1.23 0.00 0.00 174.94 174.10 1trv n GLU 6 N 4.46 0.64 -0.23 2.79 1.02 -1.26 -4.47 120.64 123.59 1trv n GLU 6 Ca -0.05 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1trv n GLU 6 Cb 0.51 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1trv n GLU 6 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1trv n SER 7 N -2.98 0.00 0.14 1.62 3.41 -1.26 -4.27 113.62 110.28 1trv n SER 7 Ca -0.20 -0.22 0.05 0.00 -0.26 0.00 0.00 58.87 58.24 1trv n SER 7 Cb 1.07 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 65.05 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 -0.09 4.33 3.64 -1.94 -3.15 116.57 119.36 1trv h LYS 8 Ca 0.00 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1trv h LYS 8 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1trv h LYS 8 CO 0.00 0.35 -0.02 1.15 -2.27 0.00 0.00 179.45 178.66 1trv h THR 9 N 0.00 0.92 -0.16 1.00 2.02 -2.00 -0.89 112.91 113.80 1trv h THR 9 Ca -0.02 -0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.03 1trv h THR 9 Cb 1.31 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 1trv h THR 9 CO 0.05 0.00 -0.42 0.00 0.37 0.00 0.00 175.52 175.52 1trv h ALA 10 N 1.09 0.98 -0.33 6.16 0.00 -1.98 -2.58 119.26 122.60 1trv h ALA 10 Ca 0.04 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.54 1trv h ALA 10 Cb 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1trv h ALA 10 CO -0.09 0.62 0.18 0.35 0.00 0.00 0.00 179.25 180.32 1trv h PHE 11 N 0.31 0.33 0.35 0.00 3.57 -1.35 0.45 116.94 120.61 1trv h PHE 11 Ca 0.03 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1trv h PHE 11 Cb 0.88 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1trv h PHE 11 CO 0.02 0.19 -0.17 0.37 -2.23 0.00 0.00 178.31 176.50 1trv h GLN 12 N 0.37 -0.45 -0.03 1.11 -0.00 -1.08 -2.36 115.11 112.67 1trv h GLN 12 Ca 0.13 0.03 0.01 0.00 -0.00 0.00 0.00 58.65 58.82 1trv h GLN 12 Cb 0.02 0.10 -0.00 0.00 0.00 0.00 0.00 27.48 27.60 1trv h GLN 12 CO -0.08 -0.19 0.03 0.93 0.00 0.00 0.00 178.83 179.53 1trv h GLU 13 N -0.67 0.00 -0.13 1.69 4.39 -1.29 -1.85 114.58 116.73 1trv h GLU 13 Ca -0.05 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 1trv h GLU 13 Cb 0.47 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1trv h GLU 13 CO 0.08 0.00 -0.04 0.00 -1.16 0.00 0.00 179.01 177.89 1trv h ALA 14 N 1.97 0.18 0.00 3.43 0.00 0.38 -1.93 119.26 123.28 1trv h ALA 14 Ca 0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1trv h ALA 14 Cb 0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1trv h ALA 14 CO -0.00 -0.07 -0.13 -0.07 0.00 0.00 0.00 179.25 178.98 1trv h LEU 15 N -0.07 0.00 -0.26 0.00 3.38 -0.86 -2.20 115.31 115.29 1trv h LEU 15 Ca 0.03 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 1trv h LEU 15 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1trv h LEU 15 CO 0.01 0.13 -0.52 -0.78 0.09 0.00 0.00 178.44 177.37 1trv h ASP 16 N 0.00 0.91 0.90 -0.43 3.58 -0.98 -2.98 116.42 117.42 1trv h ASP 16 Ca -0.00 -0.54 -0.06 0.00 0.42 0.00 0.00 57.03 56.85 1trv h ASP 16 Cb 0.37 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 1trv h ASP 16 CO 0.02 1.28 -0.28 0.00 -2.88 0.00 0.00 179.24 177.38 1trv h ALA 17 N 0.65 1.01 -0.56 -0.78 0.00 -0.82 -2.97 119.26 115.80 1trv h ALA 17 Ca 0.01 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1trv h ALA 17 Cb 1.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1trv h ALA 17 CO 0.12 0.36 0.07 0.00 0.00 0.00 0.00 179.25 179.79 1trv h ALA 18 N 1.72 1.07 0.00 0.00 0.00 -1.26 -3.47 119.26 117.32 1trv h ALA 18 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1trv h ALA 18 Cb 0.81 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1trv h ALA 18 CO 0.04 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.30 1trv n GLY 19 N -0.68 2.24 0.00 0.00 0.00 -1.12 -2.96 105.19 102.67 1trv n GLY 19 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1trv n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1trv n ASP 20 N 6.09 0.00 -4.82 1.61 2.03 -1.26 -4.52 116.55 115.69 1trv n ASP 20 Ca 0.00 -1.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.00 1trv n ASP 20 Cb 0.00 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.46 1trv n ASP 20 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1trv s LYS 21 N 0.00 2.67 0.83 -0.67 1.02 -1.15 -4.61 119.74 117.83 1trv s LYS 21 Ca 0.00 0.85 -0.12 0.00 0.02 0.00 0.00 55.97 56.72 1trv s LYS 21 Cb 0.00 -1.97 0.10 0.00 -0.52 0.00 0.00 37.83 35.44 1trv s LYS 21 CO 0.00 -1.26 1.15 -1.17 -0.92 0.00 0.00 175.35 173.15 1trv s LEU 22 N -5.61 3.02 -0.29 3.17 0.20 -1.26 -4.51 118.68 113.40 1trv s LEU 22 Ca 0.59 2.17 0.00 0.00 0.69 0.00 0.00 54.13 57.58 1trv s LEU 22 Cb -0.14 -4.56 0.14 0.00 -0.43 0.00 0.00 46.19 41.20 1trv s LEU 22 CO 0.55 -2.65 0.32 -0.69 -0.29 0.00 0.00 176.35 173.58 1trv s VAL 23 N -2.50 -0.46 0.58 1.68 1.01 -0.34 -3.00 120.40 117.37 1trv s VAL 23 Ca 0.68 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 62.19 1trv s VAL 23 Cb -0.23 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.18 1trv s VAL 23 CO 0.54 -0.42 0.85 -0.69 0.00 0.00 0.00 175.10 175.37 1trv s VAL 24 N 2.40 3.19 0.01 2.92 1.01 -0.60 -0.54 120.40 128.79 1trv s VAL 24 Ca 0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1trv s VAL 24 Cb -0.14 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 1trv s VAL 24 CO -0.32 -0.22 0.00 -0.69 0.00 0.00 0.00 175.10 173.87 1trv s VAL 25 N -2.90 0.09 -0.26 2.92 1.01 -0.63 -2.40 120.40 118.23 1trv s VAL 25 Ca 0.55 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1trv s VAL 25 Cb -0.10 -0.26 0.06 0.00 0.00 0.00 0.00 36.38 36.07 1trv s VAL 25 CO 0.42 -0.42 -0.10 -0.62 0.00 0.00 0.00 175.10 174.38 1trv s ASP 26 N -1.27 4.43 -0.53 3.32 2.15 -1.01 -2.90 116.67 120.86 1trv s ASP 26 Ca -0.14 -1.43 -0.16 0.00 0.43 0.00 0.00 52.55 51.26 1trv s ASP 26 Cb -0.08 -1.53 0.12 0.00 -0.30 0.00 0.00 42.92 41.13 1trv s ASP 26 CO -0.00 -0.20 0.48 -0.36 -0.17 0.00 0.00 175.17 174.91 1trv s PHE 27 N 1.11 3.25 0.00 -5.34 0.40 -0.20 -1.13 117.98 116.07 1trv s PHE 27 Ca -0.08 -1.24 0.00 0.00 -0.60 0.00 0.00 56.93 55.01 1trv s PHE 27 Cb -0.20 -3.67 0.00 0.00 0.51 0.00 0.00 43.02 39.66 1trv s PHE 27 CO -0.05 -0.98 0.00 0.43 0.70 0.00 0.00 175.22 175.32 1trv n SER 28 N 5.23 1.78 -3.78 1.36 7.64 -1.16 -1.71 113.62 122.98 1trv n SER 28 Ca -0.14 -0.68 -0.19 0.00 1.01 0.00 0.00 58.87 58.87 1trv n SER 28 Cb 0.41 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.44 1trv n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1trv s ALA 29 N -2.00 0.43 -0.00 -0.43 0.00 -1.18 -3.09 121.76 115.49 1trv s ALA 29 Ca 0.00 0.08 -0.19 0.00 0.00 0.00 0.00 51.96 51.85 1trv s ALA 29 Cb 0.00 -0.50 -0.34 0.00 0.00 0.00 0.00 23.12 22.28 1trv s ALA 29 CO 0.00 -0.26 0.95 0.00 0.00 0.00 0.00 175.76 176.46 1trv h THR 30 N 6.29 1.38 -0.06 0.00 1.03 -1.96 -3.21 112.91 116.38 1trv h THR 30 Ca -0.30 -2.63 0.02 0.00 -0.01 0.00 0.00 66.41 63.49 1trv h THR 30 Cb 1.13 3.12 -0.00 0.00 -1.07 0.00 0.00 68.15 71.32 1trv h THR 30 CO 0.35 0.77 0.10 4.11 -0.01 0.00 0.00 175.52 180.84 1trv h TRP 31 N -0.08 0.00 -3.61 0.00 5.08 -1.96 -3.41 115.95 111.98 1trv h TRP 31 Ca -0.21 0.00 -0.51 0.00 1.08 0.00 0.00 58.89 59.25 1trv h TRP 31 Cb 1.95 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 28.09 1trv h TRP 31 CO 0.16 0.00 0.03 0.00 -1.28 0.00 0.00 178.44 177.35 1trv n GLY 33 N -0.53 -0.70 0.17 0.00 0.00 -1.26 -4.25 105.19 98.63 1trv n GLY 33 Ca 0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.38 0.18 -1.59 1.61 0.11 -1.96 -0.62 132.00 129.35 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 0.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.26 1trv h PRO 34 CO 0.00 0.12 0.00 0.00 -0.21 0.00 0.00 178.00 177.91 1trv n LYS 36 N 1.06 0.00 0.00 0.00 4.81 -0.26 -3.10 118.16 120.67 1trv n LYS 36 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.52 1trv n LYS 36 Cb 0.34 -0.49 0.45 0.00 0.02 0.00 0.00 35.03 35.36 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 -0.59 0.53 -0.31 1.64 0.00 -1.08 -1.93 117.12 115.37 1trv n MET 37 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 57.70 57.81 1trv n MET 37 Cb 0.00 -1.44 0.29 0.00 0.00 0.00 0.00 33.22 32.07 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 -0.94 0.83 0.09 3.17 5.41 -1.26 -4.30 119.36 122.35 1trv n ILE 38 Ca 0.11 -0.88 -0.01 0.00 1.00 0.00 0.00 62.75 62.97 1trv n ILE 38 Cb 0.05 0.58 -0.04 0.00 -0.71 0.00 0.00 39.64 39.52 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 4.15 0.00 0.00 0.38 2.10 -1.75 -3.20 116.57 118.25 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 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1trv h LYS 39 CO 0.00 0.62 0.00 -0.35 -2.00 0.00 0.00 179.45 177.72 1trv n PRO 40 N -3.20 0.15 -0.07 0.07 -0.05 -1.26 -1.42 135.00 129.22 1trv n PRO 40 Ca -0.01 0.38 -0.06 0.00 -0.05 0.00 0.00 63.50 63.75 1trv n PRO 40 Cb 0.83 -1.78 -0.03 0.00 -0.05 0.00 0.00 33.50 32.47 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 0.25 0.54 0.04 -1.84 -2.99 116.94 112.94 1trv h PHE 41 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1trv h PHE 41 Cb 0.35 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1trv h PHE 41 CO 0.00 0.26 -0.13 0.35 -0.60 0.00 0.00 178.31 178.19 1trv h PHE 42 N -1.00 -0.33 0.00 -0.55 3.57 -1.56 -2.03 116.94 115.04 1trv h PHE 42 Ca -0.04 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1trv h PHE 42 Cb 0.45 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 1trv h PHE 42 CO -0.06 -0.20 -0.03 1.25 -2.23 0.00 0.00 178.31 177.04 1trv h HIS 43 N -0.35 0.00 0.00 0.41 2.76 -1.44 -0.71 115.15 115.82 1trv h HIS 43 Ca -0.03 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.05 1trv h HIS 43 Cb 0.27 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 1trv h HIS 43 CO -0.06 0.03 -0.43 1.03 -1.30 0.00 0.00 177.93 177.20 1trv h SER 44 N 0.00 0.00 -0.23 3.26 0.87 -1.22 -3.08 113.55 113.16 1trv h SER 44 Ca -0.00 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1trv h SER 44 Cb 0.06 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 1trv h SER 44 CO 0.00 0.43 0.07 -0.07 -0.53 0.00 0.00 176.83 176.73 1trv h LEU 45 N 0.00 0.08 -1.38 2.23 3.38 -0.84 -0.94 115.31 117.85 1trv h LEU 45 Ca -0.00 0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.18 1trv h LEU 45 Cb 0.78 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1trv h LEU 45 CO 0.06 0.08 0.87 0.28 0.09 0.00 0.00 178.44 179.81 1trv h SER 46 N 0.18 0.00 0.61 -0.43 0.02 -1.62 1.54 113.55 113.85 1trv h SER 46 Ca 0.10 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.81 1trv h SER 46 Cb 0.07 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.57 1trv h SER 46 CO -0.10 0.00 -1.54 -0.33 -1.14 0.00 0.00 176.83 173.72 1trv h GLU 47 N 0.00 0.00 0.00 3.45 4.39 -1.33 -3.31 114.58 117.78 1trv h GLU 47 Ca 0.32 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.89 1trv h GLU 47 Cb 2.05 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.68 1trv h GLU 47 CO -0.00 0.42 -1.05 -0.22 -1.16 0.00 0.00 179.01 176.99 1trv h LYS 48 N 0.00 0.00 -2.49 2.33 3.64 0.22 -3.40 116.57 116.87 1trv h LYS 48 Ca -0.22 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.56 1trv h LYS 48 Cb 1.81 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 33.23 1trv h LYS 48 CO 0.07 0.33 -0.79 0.66 -2.27 0.00 0.00 179.45 177.45 1trv n TYR 49 N -2.99 1.44 0.91 1.91 4.01 0.14 -4.91 117.16 117.67 1trv n TYR 49 Ca -0.05 -3.85 0.06 0.00 -0.16 0.00 0.00 57.90 53.91 1trv n TYR 49 Cb 0.78 -0.30 0.38 0.00 -0.31 0.00 0.00 39.34 39.89 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 -1.46 7.72 3.41 -1.25 -1.89 113.62 122.05 1trv n SER 50 Ca 0.25 -0.51 0.11 0.00 -0.26 0.00 0.00 58.87 58.46 1trv n SER 50 Cb 0.43 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.72 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 -0.94 4.27 -4.19 4.04 5.15 -1.26 -4.92 115.26 117.41 1trv n ASN 51 Ca 0.10 -2.20 -0.18 0.00 -0.60 0.00 0.00 54.58 51.70 1trv n ASN 51 Cb 0.04 -0.53 -0.12 0.00 -0.53 0.00 0.00 39.78 38.65 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 -1.39 1.16 -0.30 3.44 1.01 -0.79 -4.71 120.40 118.82 1trv s VAL 52 Ca 0.50 -1.43 -0.11 0.00 0.00 0.00 0.00 61.98 60.93 1trv s VAL 52 Cb 0.29 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1trv s VAL 52 CO 0.29 -0.29 0.19 -0.63 0.00 0.00 0.00 175.10 174.67 1trv s ILE 53 N -1.56 5.20 -0.18 2.22 -1.09 -1.16 -4.97 121.20 119.65 1trv s ILE 53 Ca 0.01 0.01 -0.04 0.00 -2.23 0.00 0.00 60.65 58.40 1trv s ILE 53 Cb -0.08 -3.54 -0.02 0.00 -1.58 0.00 0.00 42.46 37.24 1trv s ILE 53 CO 0.02 0.17 -0.03 -0.36 -1.23 0.00 0.00 174.94 173.52 1trv s PHE 54 N 1.73 3.01 0.42 3.97 0.08 -1.26 -1.56 117.98 124.36 1trv s PHE 54 Ca 0.07 -0.46 0.08 0.00 0.12 0.00 0.00 56.93 56.74 1trv s PHE 54 Cb -0.16 -2.02 -0.02 0.00 -0.57 0.00 0.00 43.02 40.25 1trv s PHE 54 CO 0.10 -0.19 0.38 -0.51 -0.10 0.00 0.00 175.22 174.90 1trv s LEU 55 N 0.75 3.39 -0.21 -0.37 1.02 -1.01 -3.30 118.68 118.95 1trv s LEU 55 Ca -0.01 -0.75 -0.04 0.00 0.02 0.00 0.00 54.13 53.35 1trv s LEU 55 Cb -0.14 -2.05 0.09 0.00 0.02 0.00 0.00 46.19 44.11 1trv s LEU 55 CO 0.02 -0.66 0.17 -0.70 0.02 0.00 0.00 176.35 175.20 1trv s GLU 56 N -4.13 0.16 0.13 1.70 2.12 -0.42 -2.39 118.70 115.87 1trv s GLU 56 Ca 0.48 -0.03 0.05 0.00 0.36 0.00 0.00 54.97 55.83 1trv s GLU 56 Cb -0.03 -1.35 -0.04 0.00 0.26 0.00 0.00 34.13 32.97 1trv s GLU 56 CO 0.28 -0.75 0.10 0.08 -0.54 0.00 0.00 175.26 174.42 1trv s VAL 57 N 2.24 4.40 -0.20 3.70 1.01 -0.28 -1.30 120.40 129.97 1trv s VAL 57 Ca 0.06 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1trv s VAL 57 Cb -0.16 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.05 1trv s VAL 57 CO -0.17 -0.01 -0.17 -0.62 0.00 0.00 0.00 175.10 174.13 1trv s ASP 58 N -2.79 3.45 0.00 3.32 2.15 -1.26 -3.01 116.67 118.53 1trv s ASP 58 Ca 0.30 -0.71 0.08 0.00 0.43 0.00 0.00 52.55 52.65 1trv s ASP 58 Cb -0.11 -1.53 0.48 0.00 -0.30 0.00 0.00 42.92 41.47 1trv s ASP 58 CO 0.22 -0.03 1.00 1.33 -0.17 0.00 0.00 175.17 177.53 1trv n VAL 59 N 4.62 0.21 -0.10 1.11 0.24 -1.18 0.35 118.33 123.59 1trv n VAL 59 Ca -0.20 0.05 -0.19 0.00 -2.04 0.00 0.00 64.34 61.97 1trv n VAL 59 Cb 0.49 -0.92 -0.08 0.00 -1.47 0.00 0.00 33.84 31.86 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 -1.07 1.80 0.01 -1.34 9.92 -1.26 -3.86 116.55 120.74 1trv n ASP 60 Ca 0.06 0.13 -0.11 0.00 -0.53 0.00 0.00 54.79 54.34 1trv n ASP 60 Cb 0.04 -0.50 -0.14 0.00 -0.64 0.00 0.00 41.12 39.88 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 -0.48 0.10 -0.76 -2.24 3.58 -1.89 -3.35 116.42 111.37 1trv h ASP 61 Ca -0.49 -0.18 -0.53 0.00 0.42 0.00 0.00 57.03 56.25 1trv h ASP 61 Cb 1.52 -0.03 -0.35 0.00 1.72 0.00 0.00 39.33 42.19 1trv h ASP 61 CO -0.23 1.16 -0.27 0.00 -2.88 0.00 0.00 179.24 177.01 1trv n ALA 62 N -2.58 5.27 0.15 -0.78 0.00 0.15 -4.74 120.51 117.99 1trv n ALA 62 Ca -0.15 -3.62 0.08 0.00 0.00 0.00 0.00 53.44 49.74 1trv n ALA 62 Cb 1.03 -0.76 0.41 0.00 0.00 0.00 0.00 19.45 20.13 1trv n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1trv n GLN 63 N -0.82 0.10 -0.09 0.00 10.64 -1.20 -0.68 117.38 125.33 1trv n GLN 63 Ca 0.47 0.58 -0.14 0.00 -1.83 0.00 0.00 57.00 56.08 1trv n GLN 63 Cb 0.89 -2.02 -0.03 0.00 -0.86 0.00 0.00 30.24 28.22 1trv n GLN 63 CO 0.00 0.00 0.00 0.38 -1.83 0.00 0.00 177.06 175.61 1trv h ASP 64 N 0.00 0.98 0.76 2.61 2.03 -1.90 -2.50 116.42 118.41 1trv h ASP 64 Ca 0.00 -0.51 -0.24 0.00 -0.73 0.00 0.00 57.03 55.55 1trv h ASP 64 Cb 0.37 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 38.58 1trv h ASP 64 CO 0.00 1.31 -1.09 0.58 -1.03 0.00 0.00 179.24 179.01 1trv h VAL 65 N 0.69 1.58 -0.83 4.15 2.07 -1.22 -3.24 116.25 119.45 1trv h VAL 65 Ca 0.02 -3.13 -0.03 0.00 0.82 0.00 0.00 66.70 64.38 1trv h VAL 65 Cb 1.12 2.84 -0.04 0.00 -1.52 0.00 0.00 31.29 33.69 1trv h VAL 65 CO 0.12 0.91 0.40 0.00 0.02 0.00 0.00 177.57 179.02 1trv h ALA 66 N 0.80 1.14 0.00 1.67 0.00 -1.45 -1.31 119.26 120.12 1trv h ALA 66 Ca -0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1trv h ALA 66 Cb 1.82 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1trv h ALA 66 CO 0.17 0.65 -0.16 1.03 0.00 0.00 0.00 179.25 180.93 1trv h SER 67 N 1.18 0.00 0.61 0.00 0.87 -1.49 0.14 113.55 114.86 1trv h SER 67 Ca 0.29 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.82 1trv h SER 67 Cb 0.11 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1trv h SER 67 CO -0.04 0.16 -0.29 -0.08 -0.53 0.00 0.00 176.83 176.06 1trv h GLU 68 N 0.00 -0.79 -0.00 2.24 4.57 -1.26 -2.48 114.58 116.86 1trv h GLU 68 Ca -0.00 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1trv h GLU 68 Cb 0.39 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1trv h GLU 68 CO 0.02 -0.48 -0.01 0.00 -1.18 0.00 0.00 179.01 177.35 1trv n ALA 69 N -2.52 2.66 -3.46 2.92 0.00 -1.13 -4.93 120.51 114.05 1trv n ALA 69 Ca -0.12 -0.24 -0.21 0.00 0.00 0.00 0.00 53.44 52.87 1trv n ALA 69 Cb 0.35 -1.44 0.04 0.00 0.00 0.00 0.00 19.45 18.40 1trv n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1trv n GLU 70 N -0.84 -1.55 -2.80 0.00 1.02 0.42 -4.88 120.64 112.00 1trv n GLU 70 Ca 0.21 0.78 -0.43 0.00 -0.02 0.00 0.00 57.16 57.70 1trv n GLU 70 Cb 0.18 -4.75 -0.04 0.00 -0.02 0.00 0.00 31.44 26.81 1trv n GLU 70 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1trv s VAL 71 N -3.32 4.37 -0.28 2.62 1.01 -0.88 -4.85 120.40 119.06 1trv s VAL 71 Ca 0.35 0.49 0.16 0.00 0.00 0.00 0.00 61.98 62.98 1trv s VAL 71 Cb -0.10 -4.53 0.52 0.00 0.00 0.00 0.00 36.38 32.28 1trv s VAL 71 CO 0.81 -1.06 1.42 0.29 0.00 0.00 0.00 175.10 176.57 1trv n LYS 72 N 7.48 3.04 -3.20 2.72 5.02 -1.26 -4.87 118.16 127.10 1trv n LYS 72 Ca 0.04 -2.77 0.00 0.00 -2.02 0.00 0.00 58.31 53.56 1trv n LYS 72 Cb 0.48 -1.80 -0.02 0.00 -0.02 0.00 0.00 35.03 33.66 1trv n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1trv s ALA 73 N -2.60 -2.00 0.14 7.82 0.00 -1.26 -5.16 121.76 118.70 1trv s ALA 73 Ca 0.41 1.21 0.03 0.00 0.00 0.00 0.00 51.96 53.61 1trv s ALA 73 Cb 0.32 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1trv s ALA 73 CO 0.10 -1.56 0.20 0.95 0.00 0.00 0.00 175.76 175.45 1trv s THR 74 N 2.76 4.94 0.71 0.00 -4.23 -1.26 -4.19 115.64 114.37 1trv s THR 74 Ca 0.14 -0.82 -0.11 0.00 -1.18 0.00 0.00 61.69 59.72 1trv s THR 74 Cb -0.13 -3.51 0.02 0.00 1.34 0.00 0.00 72.50 70.22 1trv s THR 74 CO -0.23 -0.06 1.07 -2.16 -0.54 0.00 0.00 174.62 172.70 1trv s PRO 75 N -3.05 2.82 -0.01 3.99 0.04 -1.26 -4.94 135.00 132.60 1trv s PRO 75 Ca 0.33 0.75 -0.12 0.00 0.04 0.00 0.00 61.00 62.00 1trv s PRO 75 Cb -0.11 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1trv s PRO 75 CO 0.26 -1.13 0.24 0.99 0.04 0.00 0.00 177.00 177.40 1trv s THR 76 N -3.15 0.07 0.02 1.26 2.01 -0.69 -3.24 115.64 111.91 1trv s THR 76 Ca 0.58 -0.55 0.06 0.00 0.31 0.00 0.00 61.69 62.09 1trv s THR 76 Cb -0.13 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 1trv s THR 76 CO 0.54 -0.30 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.63 1trv s PHE 77 N -1.33 1.58 0.04 4.92 0.40 -0.93 -1.04 117.98 121.62 1trv s PHE 77 Ca -0.14 -0.33 0.06 0.00 -0.60 0.00 0.00 56.93 55.92 1trv s PHE 77 Cb -0.06 -0.97 -0.02 0.00 0.51 0.00 0.00 43.02 42.47 1trv s PHE 77 CO 0.03 0.03 -0.17 -0.65 0.70 0.00 0.00 175.22 175.16 1trv s GLN 78 N -0.83 1.11 -0.31 0.44 -0.21 -1.14 -2.13 119.66 116.59 1trv s GLN 78 Ca 0.06 -0.82 -0.06 0.00 0.02 0.00 0.00 55.36 54.56 1trv s GLN 78 Cb -0.08 -1.16 0.02 0.00 1.00 0.00 0.00 33.01 32.80 1trv s GLN 78 CO 0.01 0.29 0.08 -0.06 -2.12 0.00 0.00 175.29 173.48 1trv s PHE 79 N -0.81 3.17 0.08 0.91 0.40 0.11 -1.61 117.98 120.22 1trv s PHE 79 Ca 0.04 -1.15 0.06 0.00 -0.60 0.00 0.00 56.93 55.28 1trv s PHE 79 Cb -0.08 -2.25 -0.04 0.00 0.51 0.00 0.00 43.02 41.16 1trv s PHE 79 CO 0.01 -0.63 -0.10 -0.06 0.70 0.00 0.00 175.22 175.14 1trv s PHE 80 N 1.46 2.76 -0.16 0.36 0.08 0.30 -2.02 117.98 120.75 1trv s PHE 80 Ca 0.01 -0.14 -0.12 0.00 0.12 0.00 0.00 56.93 56.80 1trv s PHE 80 Cb -0.18 -1.47 0.05 0.00 -0.57 0.00 0.00 43.02 40.85 1trv s PHE 80 CO 0.02 0.40 0.41 0.21 -0.10 0.00 0.00 175.22 176.16 1trv s LYS 81 N -1.97 0.43 -1.10 0.44 2.20 -0.71 -1.20 119.74 117.83 1trv s LYS 81 Ca 0.20 0.68 0.00 0.00 -0.36 0.00 0.00 55.97 56.49 1trv s LYS 81 Cb -0.11 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.31 1trv s LYS 81 CO 0.12 -0.11 0.00 1.63 -0.36 0.00 0.00 175.35 176.63 1trv n LYS 82 N 3.56 -1.43 -1.73 4.03 5.02 -1.26 0.81 118.16 127.16 1trv n LYS 82 Ca -0.18 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1trv n LYS 82 Cb 0.56 -4.81 0.00 0.00 -0.02 0.00 0.00 35.03 30.76 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 -0.06 0.46 2.87 0.72 0.00 -1.26 -5.05 105.19 102.86 1trv n GLY 83 Ca -0.10 -0.87 -0.20 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.51 0.71 0.06 1.61 -0.21 0.24 -5.11 119.66 113.45 1trv s GLN 84 Ca 0.00 -0.05 -0.31 0.00 0.02 0.00 0.00 55.36 55.02 1trv s GLN 84 Cb 0.00 -0.79 -0.08 0.00 1.00 0.00 0.00 33.01 33.14 1trv s GLN 84 CO 0.00 -0.11 1.60 0.21 -2.12 0.00 0.00 175.29 174.87 1trv s LYS 85 N 1.04 4.22 0.00 2.91 2.20 -1.26 -1.73 119.74 127.11 1trv s LYS 85 Ca -0.09 2.26 0.00 0.00 -0.36 0.00 0.00 55.97 57.77 1trv s LYS 85 Cb -0.14 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 1trv s LYS 85 CO -0.01 -0.70 0.00 1.33 -0.36 0.00 0.00 175.35 175.61 1trv n VAL 86 N 4.69 0.00 -3.53 4.02 0.24 -0.86 -4.96 118.33 117.93 1trv n VAL 86 Ca 0.15 -0.23 -0.08 0.00 -2.04 0.00 0.00 64.34 62.14 1trv n VAL 86 Cb 0.41 0.73 -0.03 0.00 -1.47 0.00 0.00 33.84 33.48 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 -1.51 -0.39 -0.12 7.63 0.00 -1.19 -5.02 107.32 106.72 1trv s GLY 87 Ca 0.00 1.36 -0.32 0.00 0.00 0.00 0.00 44.72 45.76 1trv s GLY 87 CO 0.00 0.55 1.08 -1.83 0.00 0.00 0.00 173.10 172.90 1trv s GLU 88 N -2.49 0.51 -0.11 2.90 1.03 -1.26 0.06 118.70 119.33 1trv s GLU 88 Ca 0.04 -0.17 -0.31 0.00 0.03 0.00 0.00 54.97 54.56 1trv s GLU 88 Cb -0.01 0.24 0.12 0.00 -0.80 0.00 0.00 34.13 33.68 1trv s GLU 88 CO -0.06 -0.22 1.03 -0.59 -1.33 0.00 0.00 175.26 174.09 1trv s PHE 89 N -2.61 -0.28 -0.01 4.83 -0.12 -0.91 -5.00 117.98 113.89 1trv s PHE 89 Ca 0.07 0.29 0.07 0.00 -0.05 0.00 0.00 56.93 57.31 1trv s PHE 89 Cb -0.01 0.50 -0.02 0.00 -0.63 0.00 0.00 43.02 42.87 1trv s PHE 89 CO -0.06 -0.37 -0.22 -1.54 -0.05 0.00 0.00 175.22 172.98 1trv s SER 90 N -1.93 2.57 0.00 1.98 1.04 -1.26 -2.20 113.70 113.89 1trv s SER 90 Ca 0.04 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1trv s SER 90 Cb -0.01 -0.28 0.00 0.00 0.10 0.00 0.00 66.02 65.83 1trv s SER 90 CO -0.05 0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.04 1trv n GLY 91 N 2.46 4.17 1.65 7.32 0.00 -1.20 -4.96 105.19 114.62 1trv n GLY 91 Ca -0.16 -0.39 -0.04 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.21 4.67 -3.38 4.61 0.00 -1.26 -4.69 120.51 119.25 1trv n ALA 92 Ca 0.00 -0.53 -0.44 0.00 0.00 0.00 0.00 53.44 52.47 1trv n ALA 92 Cb 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.07 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 1.97 7.04 0.50 0.00 3.04 -1.26 -4.86 114.94 121.38 1trv s ASN 93 Ca 0.19 -3.46 0.16 0.00 0.04 0.00 0.00 52.86 49.79 1trv s ASN 93 Cb 0.09 -2.17 1.22 0.00 -1.54 0.00 0.00 41.25 38.86 1trv s ASN 93 CO -0.00 -0.32 2.11 0.07 -3.04 0.00 0.00 177.10 175.92 1trv h LYS 94 N 6.76 0.09 -0.09 0.43 2.10 -1.99 -0.95 116.57 122.92 1trv h LYS 94 Ca 0.16 -0.01 -0.09 0.00 -2.00 0.00 0.00 60.65 58.72 1trv h LYS 94 Cb 0.89 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.19 1trv h LYS 94 CO 0.95 0.06 -0.36 0.93 -2.00 0.00 0.00 179.45 179.03 1trv h GLU 95 N 0.09 0.19 -0.27 0.07 5.08 -1.99 -2.70 114.58 115.05 1trv h GLU 95 Ca 0.07 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1trv h GLU 95 Cb 0.16 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1trv h GLU 95 CO -0.01 0.52 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.30 1trv h LYS 96 N 0.16 0.40 -0.94 2.33 3.64 -1.58 -2.19 116.57 118.40 1trv h LYS 96 Ca 0.02 -0.07 0.23 0.00 -1.27 0.00 0.00 60.65 59.55 1trv h LYS 96 Cb 0.71 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.40 1trv h LYS 96 CO 0.05 0.43 0.62 -0.07 -2.27 0.00 0.00 179.45 178.22 1trv h LEU 97 N 0.39 0.36 0.45 5.20 3.38 -1.49 0.22 115.31 123.82 1trv h LEU 97 Ca 0.09 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1trv h LEU 97 Cb 0.27 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1trv h LEU 97 CO 0.01 0.13 -0.22 -0.08 0.09 0.00 0.00 178.44 178.37 1trv h GLU 98 N 0.35 -0.58 -0.17 1.13 4.81 -1.54 0.21 114.58 118.78 1trv h GLU 98 Ca 0.49 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.81 1trv h GLU 98 Cb 1.33 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.83 1trv h GLU 98 CO -0.18 -0.39 0.14 0.00 -0.73 0.00 0.00 179.01 177.85 1trv h ALA 99 N -1.67 2.04 -0.14 2.92 0.00 -1.53 -1.82 119.26 119.06 1trv h ALA 99 Ca -0.06 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1trv h ALA 99 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1trv h ALA 99 CO 0.10 -0.23 -0.28 1.15 0.00 0.00 0.00 179.25 179.99 1trv h THR 100 N 0.00 1.37 -0.66 0.00 2.02 -0.33 -2.98 112.91 112.32 1trv h THR 100 Ca 0.08 -1.55 0.04 0.00 0.77 0.00 0.00 66.41 65.75 1trv h THR 100 Cb 0.36 2.03 -0.04 0.00 -1.74 0.00 0.00 68.15 68.77 1trv h THR 100 CO -0.00 0.46 0.44 0.40 0.37 0.00 0.00 175.52 177.19 1trv h ILE 101 N 0.03 1.09 0.00 3.11 2.04 0.27 0.43 117.51 124.47 1trv h ILE 101 Ca 0.00 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1trv h ILE 101 Cb 0.88 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1trv h ILE 101 CO 0.06 0.14 0.00 -3.20 0.00 0.00 0.00 178.15 175.15 1trv n ASN 102 N -4.46 0.00 -0.02 1.72 5.15 -1.01 -2.14 115.26 114.50 1trv n ASN 102 Ca 0.08 -0.83 -0.06 0.00 -0.60 0.00 0.00 54.58 53.17 1trv n ASN 102 Cb 0.14 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.34 1trv n ASN 102 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1trv h GLU 103 N 0.00 -0.07 -0.44 1.20 4.57 0.01 -3.35 114.58 116.50 1trv h GLU 103 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1trv h GLU 103 Cb 0.00 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1trv h GLU 103 CO 0.00 0.31 0.00 1.28 -1.18 0.00 0.00 179.01 179.42 1trv n LEU 104 N -4.77 4.93 0.00 1.64 4.77 -1.23 -5.13 117.00 117.20 1trv n LEU 104 Ca -0.05 -2.97 0.01 0.00 -0.03 0.00 0.00 56.01 52.97 1trv n LEU 104 Cb 0.20 -0.62 0.08 0.00 -2.33 0.00 0.00 43.42 40.74 1trv n LEU 104 CO 0.15 0.65 0.32 0.55 -1.33 0.00 0.00 177.39 177.74