#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 0.01 -0.16 2.03 1.01 -1.26 -4.15 120.40 117.87 1trv s VAL 2 Ca 0.00 -2.00 -0.07 0.00 0.00 0.00 0.00 61.98 59.91 1trv s VAL 2 Cb 0.00 -2.50 0.07 0.00 0.00 0.00 0.00 36.38 33.95 1trv s VAL 2 CO 0.00 0.00 0.36 -0.75 0.00 0.00 0.00 175.10 174.71 1trv s LYS 3 N -3.79 0.27 -0.06 2.72 2.20 -1.19 -5.02 119.74 114.88 1trv s LYS 3 Ca 0.40 0.86 -0.30 0.00 -0.36 0.00 0.00 55.97 56.57 1trv s LYS 3 Cb 0.05 0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.46 1trv s LYS 3 CO 0.20 -0.23 0.99 -1.14 -0.36 0.00 0.00 175.35 174.81 1trv s GLN 4 N 2.19 4.48 -0.18 4.03 0.74 -1.26 -1.44 119.66 128.22 1trv s GLN 4 Ca -0.03 1.40 -0.17 0.00 0.05 0.00 0.00 55.36 56.61 1trv s GLN 4 Cb -0.11 -3.51 -0.04 0.00 1.10 0.00 0.00 33.01 30.46 1trv s GLN 4 CO -0.11 -0.20 0.47 0.42 -0.55 0.00 0.00 175.29 175.32 1trv s ILE 5 N 1.56 5.16 -0.11 -2.34 -1.09 -0.71 -4.94 121.20 118.73 1trv s ILE 5 Ca 0.50 0.86 0.16 0.00 -2.23 0.00 0.00 60.65 59.94 1trv s ILE 5 Cb -0.19 -3.79 -0.21 0.00 -1.58 0.00 0.00 42.46 36.68 1trv s ILE 5 CO 0.22 0.24 0.55 -0.62 -1.23 0.00 0.00 174.94 174.10 1trv n GLU 6 N 4.42 0.64 -0.20 2.79 1.02 -1.26 -4.52 120.64 123.53 1trv n GLU 6 Ca -0.07 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1trv n GLU 6 Cb 0.51 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 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 -2.88 0.00 0.14 1.62 3.41 -1.26 -4.34 113.62 110.31 1trv n SER 7 Ca -0.18 -0.20 0.03 0.00 -0.26 0.00 0.00 58.87 58.27 1trv n SER 7 Cb 0.99 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.96 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 -0.00 4.33 3.64 -1.94 -3.12 116.57 119.48 1trv h LYS 8 Ca 0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1trv h LYS 8 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1trv h LYS 8 CO 0.00 0.43 -0.06 1.15 -2.27 0.00 0.00 179.45 178.70 1trv h THR 9 N 0.00 0.85 -0.08 1.00 2.02 -2.00 -1.10 112.91 113.60 1trv h THR 9 Ca -0.02 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.06 1trv h THR 9 Cb 1.36 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 1trv h THR 9 CO 0.06 0.00 -0.43 0.00 0.37 0.00 0.00 175.52 175.52 1trv h ALA 10 N 0.89 1.15 0.22 6.16 0.00 -1.98 -2.26 119.26 123.44 1trv h ALA 10 Ca 0.03 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1trv h ALA 10 Cb 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1trv h ALA 10 CO -0.06 0.58 -0.12 0.35 0.00 0.00 0.00 179.25 180.00 1trv h PHE 11 N 0.14 -0.31 -0.07 0.00 3.57 -1.31 0.49 116.94 119.45 1trv h PHE 11 Ca 0.01 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1trv h PHE 11 Cb 0.81 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.66 1trv h PHE 11 CO 0.01 -0.19 0.03 1.96 -2.23 0.00 0.00 178.31 177.89 1trv h GLN 12 N -0.32 0.11 0.00 1.11 4.20 -1.16 -2.18 115.11 116.87 1trv h GLN 12 Ca -0.02 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1trv h GLN 12 Cb 0.26 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 1trv h GLN 12 CO 0.03 0.25 -0.02 0.93 -0.67 0.00 0.00 178.83 179.36 1trv h GLU 13 N -0.06 0.00 -0.19 1.46 5.08 -1.25 -1.92 114.58 117.70 1trv h GLU 13 Ca 0.02 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1trv h GLU 13 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1trv h GLU 13 CO -0.00 0.02 -0.06 0.00 -1.00 0.00 0.00 179.01 177.97 1trv h ALA 14 N 1.98 0.26 0.00 3.43 0.00 0.60 -2.17 119.26 123.36 1trv h ALA 14 Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1trv h ALA 14 Cb 0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1trv h ALA 14 CO 0.00 0.04 -0.09 -0.07 0.00 0.00 0.00 179.25 179.14 1trv h LEU 15 N 0.08 0.00 -0.05 0.00 3.38 -0.89 -1.50 115.31 116.32 1trv h LEU 15 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1trv h LEU 15 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1trv h LEU 15 CO 0.02 0.09 -0.10 -0.78 0.09 0.00 0.00 178.44 177.76 1trv h ASP 16 N 0.00 0.18 1.18 -0.43 1.82 -0.89 -3.05 116.42 115.23 1trv h ASP 16 Ca -0.00 -0.56 0.00 0.00 -0.39 0.00 0.00 57.03 56.08 1trv h ASP 16 Cb 0.35 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.31 1trv h ASP 16 CO 0.01 0.71 0.00 0.00 -1.61 0.00 0.00 179.24 178.35 1trv h ALA 17 N 0.48 1.00 -0.01 -0.78 0.00 -1.09 -2.84 119.26 116.02 1trv h ALA 17 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1trv h ALA 17 Cb 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1trv h ALA 17 CO 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 179.25 179.03 1trv h ALA 18 N 2.02 1.57 0.00 0.00 0.00 -1.17 -3.47 119.26 118.21 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 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1trv h ALA 18 CO 0.00 0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.98 1trv n GLY 19 N -0.80 1.78 0.00 0.00 0.00 -1.07 -3.46 105.19 101.62 1trv n GLY 19 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 7.53 0.00 -4.66 1.61 8.00 -1.26 -4.59 116.55 123.18 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 0.15 0.00 -0.02 0.00 0.00 41.12 41.25 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 0.96 0.82 -1.24 1.02 -1.23 -4.49 119.74 115.59 1trv s LYS 21 Ca 0.00 0.19 -0.12 0.00 0.02 0.00 0.00 55.97 56.06 1trv s LYS 21 Cb 0.00 -1.83 0.09 0.00 -0.52 0.00 0.00 37.83 35.57 1trv s LYS 21 CO 0.00 -2.30 1.15 -1.17 -0.92 0.00 0.00 175.35 172.11 1trv s LEU 22 N -6.06 3.04 -0.28 3.17 0.20 -1.26 -4.40 118.68 113.08 1trv s LEU 22 Ca 0.65 2.14 -0.00 0.00 0.69 0.00 0.00 54.13 57.61 1trv s LEU 22 Cb -0.13 -4.56 0.14 0.00 -0.43 0.00 0.00 46.19 41.21 1trv s LEU 22 CO 0.53 -2.56 0.33 -0.69 -0.29 0.00 0.00 176.35 173.67 1trv s VAL 23 N -2.52 -0.48 0.55 1.68 1.01 -0.34 -3.11 120.40 117.20 1trv s VAL 23 Ca 0.67 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 1trv s VAL 23 Cb -0.23 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.21 1trv s VAL 23 CO 0.53 -0.37 0.81 -0.69 0.00 0.00 0.00 175.10 175.38 1trv s VAL 24 N 2.43 3.31 0.02 2.92 1.01 -0.39 -0.38 120.40 129.31 1trv s VAL 24 Ca 0.10 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 1trv s VAL 24 Cb -0.14 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 1trv s VAL 24 CO -0.30 -0.24 0.02 -0.69 0.00 0.00 0.00 175.10 173.90 1trv s VAL 25 N -2.83 0.11 -0.26 2.92 1.01 -0.64 -2.36 120.40 118.35 1trv s VAL 25 Ca 0.54 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1trv s VAL 25 Cb -0.10 -0.38 0.07 0.00 0.00 0.00 0.00 36.38 35.96 1trv s VAL 25 CO 0.41 -0.49 -0.07 -0.62 0.00 0.00 0.00 175.10 174.33 1trv s ASP 26 N -1.52 4.28 -0.63 3.32 -1.08 -1.01 -2.90 116.67 117.13 1trv s ASP 26 Ca -0.14 -1.42 -0.16 0.00 -0.52 0.00 0.00 52.55 50.32 1trv s ASP 26 Cb -0.08 -1.42 0.16 0.00 -1.46 0.00 0.00 42.92 40.11 1trv s ASP 26 CO -0.01 -0.23 0.59 -0.36 0.52 0.00 0.00 175.17 175.69 1trv s PHE 27 N 1.18 3.39 0.02 -5.34 0.40 -0.44 -1.40 117.98 115.80 1trv s PHE 27 Ca -0.05 -1.48 0.00 0.00 -0.60 0.00 0.00 56.93 54.79 1trv s PHE 27 Cb -0.19 -3.82 0.00 0.00 0.51 0.00 0.00 43.02 39.52 1trv s PHE 27 CO -0.06 -1.03 0.01 -1.13 0.70 0.00 0.00 175.22 173.71 1trv n SER 28 N 4.93 1.47 -3.75 1.36 3.41 -1.14 -2.08 113.62 117.82 1trv n SER 28 Ca -0.05 -1.09 -0.24 0.00 -0.26 0.00 0.00 58.87 57.23 1trv n SER 28 Cb 0.42 0.01 -0.17 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 -2.04 0.76 0.06 7.33 0.00 -1.26 -2.83 121.76 123.77 1trv s ALA 29 Ca 0.01 -0.29 -0.19 0.00 0.00 0.00 0.00 51.96 51.48 1trv s ALA 29 Cb -0.00 -0.88 -0.12 0.00 0.00 0.00 0.00 23.12 22.11 1trv s ALA 29 CO 0.01 -0.71 1.38 0.00 0.00 0.00 0.00 175.76 176.44 1trv h THR 30 N 6.39 1.33 -0.12 0.00 1.03 -1.96 -2.65 112.91 116.92 1trv h THR 30 Ca -0.18 -1.27 0.03 0.00 -0.01 0.00 0.00 66.41 64.98 1trv h THR 30 Cb 1.12 1.75 -0.00 0.00 -1.07 0.00 0.00 68.15 69.95 1trv h THR 30 CO 0.28 0.38 0.21 4.11 -0.01 0.00 0.00 175.52 180.50 1trv h TRP 31 N 0.09 0.00 -3.56 0.00 5.08 -2.02 -3.41 115.95 112.13 1trv h TRP 31 Ca 0.03 0.00 -0.51 0.00 1.08 0.00 0.00 58.89 59.49 1trv h TRP 31 Cb 0.66 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.81 1trv h TRP 31 CO 0.08 0.00 0.01 0.00 -1.28 0.00 0.00 178.44 177.24 1trv n GLY 33 N -0.63 -0.68 0.17 0.00 0.00 -1.26 -3.78 105.19 99.01 1trv n GLY 33 Ca 0.02 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.44 -0.07 -0.01 1.61 0.11 -1.96 0.23 132.00 131.47 1trv h PRO 34 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1trv h PRO 34 Cb 0.27 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.39 1trv h PRO 34 CO 0.00 -0.04 0.01 0.00 -0.21 0.00 0.00 178.00 177.76 1trv h LYS 36 N 0.00 0.00 0.00 0.00 3.64 -0.80 -3.30 116.57 116.10 1trv h LYS 36 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1trv h LYS 36 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1trv h LYS 36 CO -0.00 0.00 0.00 -0.12 -2.27 0.00 0.00 179.45 177.06 1trv n MET 37 N -2.64 0.15 -0.60 1.90 1.56 0.48 -2.23 117.12 115.75 1trv n MET 37 Ca 0.01 0.35 0.07 0.00 -0.27 0.00 0.00 57.70 57.85 1trv n MET 37 Cb 0.54 -1.77 0.31 0.00 2.15 0.00 0.00 33.22 34.44 1trv n MET 37 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 1trv n ILE 38 N -2.06 1.79 0.09 1.12 5.41 -1.21 -4.26 119.36 120.25 1trv n ILE 38 Ca 0.03 -1.02 0.02 0.00 1.00 0.00 0.00 62.75 62.78 1trv n ILE 38 Cb 0.24 -0.11 -0.02 0.00 -0.71 0.00 0.00 39.64 39.04 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 3.27 0.00 0.00 0.38 2.10 -1.67 -3.26 116.57 117.39 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 1.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.75 1trv h LYS 39 CO 0.28 0.39 0.00 -0.35 -2.00 0.00 0.00 179.45 177.76 1trv n PRO 40 N -3.06 0.14 -0.06 0.07 -0.04 -1.26 -2.07 135.00 128.72 1trv n PRO 40 Ca -0.03 0.24 -0.04 0.00 -0.04 0.00 0.00 63.50 63.64 1trv n PRO 40 Cb 0.77 -1.71 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 1trv n PRO 40 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1trv h PHE 41 N 0.00 0.00 -0.49 0.54 0.04 -1.85 -3.11 116.94 112.07 1trv h PHE 41 Ca 0.00 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.79 1trv h PHE 41 Cb 0.48 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 1trv h PHE 41 CO 0.00 0.08 0.30 0.35 -0.60 0.00 0.00 178.31 178.44 1trv h PHE 42 N -1.00 0.56 0.00 -0.55 3.57 -1.63 -1.58 116.94 116.31 1trv h PHE 42 Ca -0.01 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1trv h PHE 42 Cb 0.35 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 1trv h PHE 42 CO -0.11 0.33 -0.10 1.25 -2.23 0.00 0.00 178.31 177.45 1trv h HIS 43 N 0.60 0.00 -0.27 0.41 2.76 -1.60 -2.10 115.15 114.95 1trv h HIS 43 Ca 0.19 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.24 1trv h HIS 43 Cb -0.01 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 1trv h HIS 43 CO -0.06 0.10 -0.34 0.66 -1.30 0.00 0.00 177.93 176.99 1trv h SER 44 N 0.00 0.61 -0.31 3.26 4.64 -1.21 -2.54 113.55 118.00 1trv h SER 44 Ca -0.00 -0.25 0.09 0.00 -0.47 0.00 0.00 61.79 61.16 1trv h SER 44 Cb 0.23 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1trv h SER 44 CO 0.01 0.90 0.24 -0.07 -0.87 0.00 0.00 176.83 177.05 1trv h LEU 45 N 0.50 0.00 -0.78 5.97 3.38 -1.22 -1.78 115.31 121.37 1trv h LEU 45 Ca 0.06 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.18 1trv h LEU 45 Cb 0.82 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.47 1trv h LEU 45 CO 0.07 0.00 0.30 0.28 0.09 0.00 0.00 178.44 179.17 1trv h SER 46 N 0.00 0.24 0.91 -0.43 0.02 -1.52 0.26 113.55 113.03 1trv h SER 46 Ca 0.15 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1trv h SER 46 Cb 0.64 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1trv h SER 46 CO -0.00 0.06 -0.86 -0.33 -1.14 0.00 0.00 176.83 174.56 1trv h GLU 47 N 0.41 0.00 0.03 3.45 5.08 -1.50 -3.20 114.58 118.85 1trv h GLU 47 Ca 0.44 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.54 1trv h GLU 47 Cb 0.71 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1trv h GLU 47 CO -0.44 0.00 -1.33 -0.22 -1.00 0.00 0.00 179.01 176.02 1trv h LYS 48 N 0.00 0.06 -2.53 2.33 1.63 -0.89 -3.39 116.57 113.78 1trv h LYS 48 Ca 0.00 -0.10 -0.60 0.00 -0.85 0.00 0.00 60.65 59.10 1trv h LYS 48 Cb 0.88 0.04 -0.41 0.00 -0.60 0.00 0.00 32.23 32.14 1trv h LYS 48 CO 0.00 0.88 -0.70 0.66 -3.45 0.00 0.00 179.45 176.83 1trv n TYR 49 N -3.28 2.39 0.85 1.91 4.01 0.78 -4.89 117.16 118.91 1trv n TYR 49 Ca -0.09 -4.03 0.07 0.00 -0.16 0.00 0.00 57.90 53.69 1trv n TYR 49 Cb 1.00 -0.45 0.40 0.00 -0.31 0.00 0.00 39.34 39.98 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 1.60 0.00 -1.24 7.72 3.41 -1.25 -1.60 113.62 122.25 1trv n SER 50 Ca 0.25 -0.41 0.11 0.00 -0.26 0.00 0.00 58.87 58.56 1trv n SER 50 Cb 0.41 -0.01 0.30 0.00 -0.26 0.00 0.00 64.21 64.65 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 -1.01 3.61 -4.16 4.04 5.15 -1.26 -4.90 115.26 116.72 1trv n ASN 51 Ca 0.10 -2.00 -0.19 0.00 -0.60 0.00 0.00 54.58 51.89 1trv n ASN 51 Cb 0.05 -0.44 -0.13 0.00 -0.53 0.00 0.00 39.78 38.74 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 -1.13 1.13 -0.30 3.44 1.01 -0.63 -4.71 120.40 119.21 1trv s VAL 52 Ca 0.45 -1.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 1trv s VAL 52 Cb 0.24 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1trv s VAL 52 CO 0.31 -0.12 0.24 -0.63 0.00 0.00 0.00 175.10 174.90 1trv s ILE 53 N -1.09 5.28 -0.16 2.22 -1.09 -1.18 -4.77 121.20 120.41 1trv s ILE 53 Ca -0.00 0.10 -0.04 0.00 -2.23 0.00 0.00 60.65 58.48 1trv s ILE 53 Cb -0.09 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 1trv s ILE 53 CO 0.02 0.14 -0.04 -0.36 -1.23 0.00 0.00 174.94 173.47 1trv s PHE 54 N 1.81 3.02 0.41 3.97 0.08 -1.26 -1.26 117.98 124.75 1trv s PHE 54 Ca 0.08 -0.32 0.08 0.00 0.12 0.00 0.00 56.93 56.88 1trv s PHE 54 Cb -0.16 -1.96 -0.03 0.00 -0.57 0.00 0.00 43.02 40.29 1trv s PHE 54 CO 0.11 -0.06 0.32 -0.51 -0.10 0.00 0.00 175.22 174.99 1trv s LEU 55 N 0.41 3.33 -0.25 -0.37 1.02 -1.00 -3.18 118.68 118.64 1trv s LEU 55 Ca -0.04 -0.82 -0.04 0.00 0.02 0.00 0.00 54.13 53.25 1trv s LEU 55 Cb -0.14 -1.90 0.10 0.00 0.02 0.00 0.00 46.19 44.26 1trv s LEU 55 CO 0.03 -0.62 0.16 -0.70 0.02 0.00 0.00 176.35 175.24 1trv s GLU 56 N -4.07 0.18 0.11 1.70 2.12 -0.52 -2.41 118.70 115.81 1trv s GLU 56 Ca 0.46 -0.27 0.04 0.00 0.36 0.00 0.00 54.97 55.56 1trv s GLU 56 Cb -0.01 -1.24 -0.04 0.00 0.26 0.00 0.00 34.13 33.10 1trv s GLU 56 CO 0.26 -0.90 0.08 0.08 -0.54 0.00 0.00 175.26 174.25 1trv s VAL 57 N 2.18 4.40 -0.23 3.70 1.01 -0.49 -1.74 120.40 129.22 1trv s VAL 57 Ca 0.07 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 1trv s VAL 57 Cb -0.16 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.09 1trv s VAL 57 CO -0.27 0.05 -0.08 -0.62 0.00 0.00 0.00 175.10 174.18 1trv s ASP 58 N -2.59 4.09 0.00 3.32 2.15 -1.26 -2.90 116.67 119.48 1trv s ASP 58 Ca 0.29 -0.73 0.00 0.00 0.43 0.00 0.00 52.55 52.54 1trv s ASP 58 Cb -0.11 -1.64 0.00 0.00 -0.30 0.00 0.00 42.92 40.86 1trv s ASP 58 CO 0.22 -0.08 0.29 1.33 -0.17 0.00 0.00 175.17 176.75 1trv n VAL 59 N 4.68 0.00 -0.01 1.11 0.24 -1.13 -0.59 118.33 122.64 1trv n VAL 59 Ca -0.18 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.12 1trv n VAL 59 Cb 0.48 -0.36 -0.00 0.00 -1.47 0.00 0.00 33.84 32.49 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 -0.50 2.67 0.02 -1.34 9.92 -1.26 -4.35 116.55 121.72 1trv n ASP 60 Ca 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.21 1trv n ASP 60 Cb 0.00 -0.02 -0.11 0.00 -0.64 0.00 0.00 41.12 40.35 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 -0.01 0.00 -1.05 -2.24 1.82 -1.89 -3.35 116.42 109.70 1trv h ASP 61 Ca -0.02 0.00 -0.58 0.00 -0.39 0.00 0.00 57.03 56.03 1trv h ASP 61 Cb 1.03 0.00 -0.41 0.00 0.68 0.00 0.00 39.33 40.63 1trv h ASP 61 CO -0.01 0.84 -0.55 0.00 -1.61 0.00 0.00 179.24 177.91 1trv n ALA 62 N -2.44 5.22 0.23 -0.78 0.00 0.24 -4.78 120.51 118.19 1trv n ALA 62 Ca -0.10 -3.93 0.11 0.00 0.00 0.00 0.00 53.44 49.52 1trv n ALA 62 Cb 0.94 -0.59 0.60 0.00 0.00 0.00 0.00 19.45 20.40 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 2.31 0.00 -0.28 0.00 4.20 -1.71 0.11 115.11 119.74 1trv h GLN 63 Ca 0.38 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.92 1trv h GLN 63 Cb 1.23 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.00 1trv h GLN 63 CO 0.89 0.00 -0.50 0.38 -0.67 0.00 0.00 178.83 178.94 1trv h ASP 64 N 0.00 0.85 0.75 1.46 3.04 -1.92 -2.41 116.42 118.19 1trv h ASP 64 Ca 0.00 -0.43 -0.25 0.00 -3.24 0.00 0.00 57.03 53.11 1trv h ASP 64 Cb 0.46 -0.24 -0.01 0.00 -1.04 0.00 0.00 39.33 38.50 1trv h ASP 64 CO 0.00 1.20 -1.15 0.58 -2.04 0.00 0.00 179.24 177.83 1trv h VAL 65 N 0.61 1.57 -0.55 4.15 2.07 -1.11 -3.24 116.25 119.75 1trv h VAL 65 Ca 0.03 -3.17 -0.03 0.00 0.82 0.00 0.00 66.70 64.34 1trv h VAL 65 Cb 1.07 2.90 -0.03 0.00 -1.52 0.00 0.00 31.29 33.72 1trv h VAL 65 CO 0.11 0.92 0.20 0.00 0.02 0.00 0.00 177.57 178.82 1trv h ALA 66 N 0.73 1.33 -0.21 1.67 0.00 -1.41 -1.83 119.26 119.54 1trv h ALA 66 Ca -0.09 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1trv h ALA 66 Cb 1.89 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1trv h ALA 66 CO 0.18 0.50 -0.13 1.03 0.00 0.00 0.00 179.25 180.82 1trv h SER 67 N 0.78 0.34 0.62 0.00 0.87 -1.46 0.75 113.55 115.45 1trv h SER 67 Ca 0.18 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 1trv h SER 67 Cb 0.18 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1trv h SER 67 CO -0.01 0.50 -0.34 -0.08 -0.53 0.00 0.00 176.83 176.37 1trv h GLU 68 N 0.33 -0.86 -0.00 2.24 4.57 -1.37 -2.05 114.58 117.44 1trv h GLU 68 Ca 0.06 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1trv h GLU 68 Cb 0.44 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1trv h GLU 68 CO 0.03 -0.57 -0.06 0.00 -1.18 0.00 0.00 179.01 177.23 1trv n ALA 69 N -2.53 2.64 -3.54 2.92 0.00 -1.14 -4.93 120.51 113.92 1trv n ALA 69 Ca -0.13 -0.21 -0.26 0.00 0.00 0.00 0.00 53.44 52.84 1trv n ALA 69 Cb 0.38 -1.41 0.05 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.10 -1.60 -2.83 0.00 1.02 0.25 -4.89 120.64 111.50 1trv n GLU 70 Ca 0.15 0.59 -0.43 0.00 -0.02 0.00 0.00 57.16 57.46 1trv n GLU 70 Cb 0.25 -4.70 -0.04 0.00 -0.02 0.00 0.00 31.44 26.93 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 -3.44 4.43 -0.19 2.62 1.01 -0.76 -4.86 120.40 119.21 1trv s VAL 71 Ca 0.47 0.55 0.16 0.00 0.00 0.00 0.00 61.98 63.16 1trv s VAL 71 Cb -0.13 -4.48 0.48 0.00 0.00 0.00 0.00 36.38 32.25 1trv s VAL 71 CO 0.82 -0.95 1.38 0.29 0.00 0.00 0.00 175.10 176.64 1trv n LYS 72 N 7.30 2.38 -3.20 2.72 5.02 -1.26 -4.89 118.16 126.23 1trv n LYS 72 Ca 0.04 -2.87 0.01 0.00 -2.02 0.00 0.00 58.31 53.47 1trv n LYS 72 Cb 0.48 -1.77 -0.02 0.00 -0.02 0.00 0.00 35.03 33.69 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 -2.93 -2.01 0.15 7.82 0.00 -1.26 -5.16 121.76 118.37 1trv s ALA 73 Ca 0.41 1.33 0.04 0.00 0.00 0.00 0.00 51.96 53.74 1trv s ALA 73 Cb 0.34 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.24 1trv s ALA 73 CO 0.06 -1.50 0.17 0.95 0.00 0.00 0.00 175.76 175.44 1trv s THR 74 N 2.77 4.71 0.70 0.00 -4.23 -1.26 -4.19 115.64 114.13 1trv s THR 74 Ca 0.16 -0.93 -0.11 0.00 -1.18 0.00 0.00 61.69 59.62 1trv s THR 74 Cb -0.13 -3.39 0.01 0.00 1.34 0.00 0.00 72.50 70.32 1trv s THR 74 CO -0.22 -0.07 1.06 -2.16 -0.54 0.00 0.00 174.62 172.69 1trv s PRO 75 N -3.04 2.95 0.02 3.99 0.04 -1.26 -4.94 135.00 132.75 1trv s PRO 75 Ca 0.32 0.75 -0.13 0.00 0.04 0.00 0.00 61.00 61.98 1trv s PRO 75 Cb -0.11 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1trv s PRO 75 CO 0.25 -1.04 0.27 0.99 0.04 0.00 0.00 177.00 177.51 1trv s THR 76 N -3.16 0.08 0.00 1.26 2.01 -0.88 -3.31 115.64 111.64 1trv s THR 76 Ca 0.58 -0.64 0.05 0.00 0.31 0.00 0.00 61.69 61.98 1trv s THR 76 Cb -0.13 -0.76 -0.01 0.00 0.01 0.00 0.00 72.50 71.61 1trv s THR 76 CO 0.54 -0.35 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.61 1trv s PHE 77 N -1.96 1.34 0.02 4.92 0.40 -0.87 -1.32 117.98 120.50 1trv s PHE 77 Ca -0.09 -0.28 0.06 0.00 -0.60 0.00 0.00 56.93 56.01 1trv s PHE 77 Cb -0.03 -0.84 -0.02 0.00 0.51 0.00 0.00 43.02 42.63 1trv s PHE 77 CO 0.00 -0.00 -0.17 -0.65 0.70 0.00 0.00 175.22 175.10 1trv s GLN 78 N -0.56 1.26 -0.33 0.44 -0.21 -1.14 -1.95 119.66 117.17 1trv s GLN 78 Ca 0.05 -0.74 -0.08 0.00 0.02 0.00 0.00 55.36 54.62 1trv s GLN 78 Cb -0.06 -1.28 0.03 0.00 1.00 0.00 0.00 33.01 32.69 1trv s GLN 78 CO -0.00 0.34 0.12 -0.06 -2.12 0.00 0.00 175.29 173.57 1trv s PHE 79 N -0.62 3.22 0.14 0.91 0.40 0.11 -1.61 117.98 120.52 1trv s PHE 79 Ca 0.06 -1.15 0.07 0.00 -0.60 0.00 0.00 56.93 55.30 1trv s PHE 79 Cb -0.07 -2.31 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 1trv s PHE 79 CO 0.01 -0.66 -0.03 -0.06 0.70 0.00 0.00 175.22 175.18 1trv s PHE 80 N 1.47 2.82 -0.17 0.36 0.08 0.49 -1.83 117.98 121.20 1trv s PHE 80 Ca 0.01 -0.13 -0.10 0.00 0.12 0.00 0.00 56.93 56.82 1trv s PHE 80 Cb -0.19 -1.41 0.06 0.00 -0.57 0.00 0.00 43.02 40.91 1trv s PHE 80 CO 0.04 0.49 0.43 0.21 -0.10 0.00 0.00 175.22 176.28 1trv s LYS 81 N -2.64 0.42 -1.23 0.44 2.20 -0.60 -1.20 119.74 117.14 1trv s LYS 81 Ca 0.25 0.78 0.00 0.00 -0.36 0.00 0.00 55.97 56.64 1trv s LYS 81 Cb -0.10 0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.24 1trv s LYS 81 CO 0.17 -0.14 0.00 1.63 -0.36 0.00 0.00 175.35 176.65 1trv n LYS 82 N 4.06 -1.33 -1.60 4.03 5.02 -1.26 0.87 118.16 127.94 1trv n LYS 82 Ca -0.22 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1trv n LYS 82 Cb 0.56 -4.90 0.00 0.00 -0.02 0.00 0.00 35.03 30.67 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 -0.17 0.56 2.86 0.72 0.00 -1.26 -5.05 105.19 102.85 1trv n GLY 83 Ca -0.12 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.32 0.90 0.09 1.61 -0.21 0.25 -5.11 119.66 113.87 1trv s GLN 84 Ca 0.00 -0.07 -0.31 0.00 0.02 0.00 0.00 55.36 55.00 1trv s GLN 84 Cb 0.00 -1.01 -0.08 0.00 1.00 0.00 0.00 33.01 32.91 1trv s GLN 84 CO 0.00 -0.17 1.56 0.21 -2.12 0.00 0.00 175.29 174.77 1trv s LYS 85 N 1.35 4.23 0.00 2.91 2.20 -1.26 -1.55 119.74 127.62 1trv s LYS 85 Ca -0.04 2.26 0.00 0.00 -0.36 0.00 0.00 55.97 57.83 1trv s LYS 85 Cb -0.13 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 1trv s LYS 85 CO -0.03 -0.64 0.00 1.33 -0.36 0.00 0.00 175.35 175.65 1trv n VAL 86 N 4.42 0.00 -3.57 4.02 0.24 -0.76 -4.95 118.33 117.72 1trv n VAL 86 Ca 0.14 -0.30 -0.05 0.00 -2.04 0.00 0.00 64.34 62.10 1trv n VAL 86 Cb 0.41 0.80 -0.02 0.00 -1.47 0.00 0.00 33.84 33.55 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 -1.35 -0.33 -0.10 7.63 0.00 -1.19 -5.02 107.32 106.95 1trv s GLY 87 Ca 0.00 1.44 -0.32 0.00 0.00 0.00 0.00 44.72 45.83 1trv s GLY 87 CO 0.00 0.48 1.15 -1.83 0.00 0.00 0.00 173.10 172.90 1trv s GLU 88 N -2.59 0.47 -0.10 2.90 -1.05 -1.26 0.05 118.70 117.12 1trv s GLU 88 Ca 0.08 -0.20 -0.31 0.00 -0.15 0.00 0.00 54.97 54.40 1trv s GLU 88 Cb -0.01 0.20 0.12 0.00 -0.44 0.00 0.00 34.13 34.00 1trv s GLU 88 CO -0.06 -0.21 1.02 -0.59 0.95 0.00 0.00 175.26 176.37 1trv s PHE 89 N -2.60 -0.29 0.04 4.83 -0.12 -0.82 -5.00 117.98 114.03 1trv s PHE 89 Ca 0.10 0.29 0.07 0.00 -0.05 0.00 0.00 56.93 57.33 1trv s PHE 89 Cb 0.00 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 42.87 1trv s PHE 89 CO -0.05 -0.38 -0.19 -1.54 -0.05 0.00 0.00 175.22 173.01 1trv s SER 90 N -1.98 2.23 0.00 1.98 1.04 -1.26 -2.05 113.70 113.66 1trv s SER 90 Ca 0.04 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1trv s SER 90 Cb -0.01 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.93 1trv s SER 90 CO -0.05 0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.91 1trv n GLY 91 N 1.90 4.13 1.43 7.32 0.00 -1.21 -4.95 105.19 113.81 1trv n GLY 91 Ca -0.17 -0.61 -0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.33 3.80 -3.23 4.61 0.00 -1.26 -4.62 120.51 118.48 1trv n ALA 92 Ca 0.00 -0.01 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 1trv n ALA 92 Cb 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.45 1trv n ALA 92 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1trv n ASN 93 N 1.36 5.75 0.27 0.00 2.85 -1.26 -4.83 115.26 119.39 1trv n ASN 93 Ca 0.00 -3.21 0.16 0.00 -0.11 0.00 0.00 54.58 51.43 1trv n ASN 93 Cb 0.50 -1.29 0.90 0.00 1.24 0.00 0.00 39.78 41.13 1trv n ASN 93 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 1trv h LYS 94 N 6.04 0.00 -0.16 1.20 2.10 -2.00 -0.17 116.57 123.59 1trv h LYS 94 Ca 0.19 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.74 1trv h LYS 94 Cb 0.76 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.07 1trv h LYS 94 CO 1.13 0.00 -0.35 0.93 -2.00 0.00 0.00 179.45 179.16 1trv h GLU 95 N 0.00 0.33 -0.04 0.07 3.07 -1.98 -2.65 114.58 113.38 1trv h GLU 95 Ca 0.03 -0.14 -0.03 0.00 -0.50 0.00 0.00 59.36 58.72 1trv h GLU 95 Cb 0.19 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 1trv h GLU 95 CO -0.00 0.64 -0.11 -0.22 -1.40 0.00 0.00 179.01 177.92 1trv h LYS 96 N 0.28 0.05 -1.00 2.33 3.64 -1.43 -2.26 116.57 118.19 1trv h LYS 96 Ca 0.03 -0.01 0.25 0.00 -1.27 0.00 0.00 60.65 59.65 1trv h LYS 96 Cb 0.75 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.48 1trv h LYS 96 CO 0.06 0.17 0.65 -0.07 -2.27 0.00 0.00 179.45 177.99 1trv h LEU 97 N 0.05 0.41 0.42 5.20 3.38 -1.52 0.34 115.31 123.60 1trv h LEU 97 Ca 0.01 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1trv h LEU 97 Cb 0.23 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1trv h LEU 97 CO 0.01 0.12 -0.20 -0.08 0.09 0.00 0.00 178.44 178.38 1trv h GLU 98 N 0.38 -0.55 -0.17 1.13 4.57 -1.57 0.12 114.58 118.50 1trv h GLU 98 Ca 0.54 0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.81 1trv h GLU 98 Cb 1.41 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 30.12 1trv h GLU 98 CO -0.23 -0.36 0.15 0.00 -1.18 0.00 0.00 179.01 177.38 1trv h ALA 99 N -1.67 1.97 -0.11 2.92 0.00 -1.53 -1.80 119.26 119.04 1trv h ALA 99 Ca -0.06 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1trv h ALA 99 Cb 0.43 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1trv h ALA 99 CO 0.10 -0.24 -0.26 1.15 0.00 0.00 0.00 179.25 180.00 1trv h THR 100 N 0.00 1.39 -0.59 0.00 2.02 -0.11 -2.96 112.91 112.66 1trv h THR 100 Ca 0.08 -1.56 0.03 0.00 0.77 0.00 0.00 66.41 65.73 1trv h THR 100 Cb 0.38 2.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.88 1trv h THR 100 CO -0.00 0.46 0.39 0.40 0.37 0.00 0.00 175.52 177.13 1trv h ILE 101 N -0.07 1.08 0.00 3.11 2.04 0.10 0.43 117.51 124.21 1trv h ILE 101 Ca -0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1trv h ILE 101 Cb 0.86 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1trv h ILE 101 CO 0.06 0.13 0.00 -3.20 0.00 0.00 0.00 178.15 175.13 1trv n ASN 102 N -4.46 0.00 -0.04 1.72 2.85 -0.98 -2.18 115.26 112.16 1trv n ASN 102 Ca 0.07 -0.82 -0.07 0.00 -0.11 0.00 0.00 54.58 53.65 1trv n ASN 102 Cb 0.13 -0.01 -0.06 0.00 1.24 0.00 0.00 39.78 41.08 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 -0.04 -0.47 1.20 4.57 0.03 -3.35 114.58 116.52 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 0.01 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1trv h GLU 103 CO 0.00 0.40 0.00 1.28 -1.18 0.00 0.00 179.01 179.51 1trv n LEU 104 N -4.74 4.92 0.00 1.64 4.77 -1.23 -5.13 117.00 117.23 1trv n LEU 104 Ca -0.05 -2.87 0.02 0.00 -0.03 0.00 0.00 56.01 53.07 1trv n LEU 104 Cb 0.22 -0.61 0.09 0.00 -2.33 0.00 0.00 43.42 40.80 1trv n LEU 104 CO 0.17 0.67 0.34 0.55 -1.33 0.00 0.00 177.39 177.79