#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 0.08 -0.17 2.03 1.01 -1.26 -4.12 120.40 117.96 1trv s VAL 2 Ca 0.00 -2.00 -0.06 0.00 0.00 0.00 0.00 61.98 59.92 1trv s VAL 2 Cb 0.00 -2.49 0.08 0.00 0.00 0.00 0.00 36.38 33.97 1trv s VAL 2 CO 0.00 0.00 0.37 -0.75 0.00 0.00 0.00 175.10 174.72 1trv s LYS 3 N -3.63 0.28 -0.07 2.72 2.20 -1.17 -5.01 119.74 115.06 1trv s LYS 3 Ca 0.39 0.92 -0.30 0.00 -0.36 0.00 0.00 55.97 56.62 1trv s LYS 3 Cb 0.03 0.18 -0.02 0.00 -1.51 0.00 0.00 37.83 36.52 1trv s LYS 3 CO 0.23 -0.25 1.00 -1.14 -0.36 0.00 0.00 175.35 174.83 1trv s GLN 4 N 2.40 4.47 -0.20 4.03 0.74 -1.26 -1.38 119.66 128.46 1trv s GLN 4 Ca -0.02 1.40 -0.18 0.00 0.05 0.00 0.00 55.36 56.62 1trv s GLN 4 Cb -0.12 -3.51 -0.03 0.00 1.10 0.00 0.00 33.01 30.45 1trv s GLN 4 CO -0.11 -0.22 0.49 0.42 -0.55 0.00 0.00 175.29 175.32 1trv s ILE 5 N 1.65 5.13 -0.09 -2.34 -1.09 -0.63 -4.94 121.20 118.89 1trv s ILE 5 Ca 0.50 0.90 0.15 0.00 -2.23 0.00 0.00 60.65 59.96 1trv s ILE 5 Cb -0.19 -3.82 -0.21 0.00 -1.58 0.00 0.00 42.46 36.66 1trv s ILE 5 CO 0.22 0.20 0.59 -0.62 -1.23 0.00 0.00 174.94 174.09 1trv n GLU 6 N 4.69 0.64 -0.21 2.79 1.02 -1.26 -4.51 120.64 123.80 1trv n GLU 6 Ca -0.06 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 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 -2.93 0.00 0.12 1.62 3.41 -1.26 -4.29 113.62 110.28 1trv n SER 7 Ca -0.18 -0.20 0.02 0.00 -0.26 0.00 0.00 58.87 58.26 1trv n SER 7 Cb 1.01 0.00 -0.00 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 -0.09 4.33 3.64 -1.94 -3.16 116.57 119.35 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 0.47 0.01 1.15 -2.27 0.00 0.00 179.45 178.81 1trv h THR 9 N 0.00 0.96 -0.06 1.00 2.02 -2.01 -1.75 112.91 113.07 1trv h THR 9 Ca -0.03 -0.02 -0.10 0.00 0.77 0.00 0.00 66.41 67.03 1trv h THR 9 Cb 1.43 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 1trv h THR 9 CO 0.06 0.01 -0.43 0.00 0.37 0.00 0.00 175.52 175.53 1trv h ALA 10 N 1.07 1.17 -0.26 6.16 0.00 -1.98 -2.82 119.26 122.59 1trv h ALA 10 Ca 0.04 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1trv h ALA 10 Cb 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1trv h ALA 10 CO -0.06 0.58 0.16 0.35 0.00 0.00 0.00 179.25 180.28 1trv h PHE 11 N 0.12 0.29 0.07 0.00 3.57 -1.34 0.25 116.94 119.90 1trv h PHE 11 Ca 0.01 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1trv h PHE 11 Cb 0.81 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1trv h PHE 11 CO 0.01 0.18 -0.03 1.96 -2.23 0.00 0.00 178.31 178.19 1trv h GLN 12 N 0.32 -0.09 0.00 1.11 1.08 -1.24 -2.19 115.11 114.10 1trv h GLN 12 Ca 0.10 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1trv h GLN 12 Cb -0.01 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1trv h GLN 12 CO -0.04 0.11 -0.02 0.93 -0.95 0.00 0.00 178.83 178.86 1trv h GLU 13 N -0.27 0.00 -0.04 1.46 5.08 -1.30 -1.84 114.58 117.67 1trv h GLU 13 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1trv h GLU 13 Cb 0.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1trv h GLU 13 CO 0.02 0.02 -0.01 0.00 -1.00 0.00 0.00 179.01 178.03 1trv h ALA 14 N 1.98 0.06 0.00 3.43 0.00 0.10 -1.69 119.26 123.14 1trv h ALA 14 Ca -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1trv h ALA 14 Cb 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1trv h ALA 14 CO 0.00 -0.22 -0.14 -0.07 0.00 0.00 0.00 179.25 178.82 1trv h LEU 15 N -0.28 0.00 -0.32 0.00 3.38 -0.95 -2.14 115.31 115.00 1trv h LEU 15 Ca 0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.79 1trv h LEU 15 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1trv h LEU 15 CO 0.01 0.14 -0.59 -0.78 0.09 0.00 0.00 178.44 177.31 1trv h ASP 16 N 0.00 0.90 0.85 -0.43 1.82 -1.00 -2.99 116.42 115.57 1trv h ASP 16 Ca -0.00 -0.50 -0.07 0.00 -0.39 0.00 0.00 57.03 56.06 1trv h ASP 16 Cb 0.36 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.10 1trv h ASP 16 CO 0.02 1.29 -0.36 0.00 -1.61 0.00 0.00 179.24 178.58 1trv h ALA 17 N 0.72 1.00 -0.66 -0.78 0.00 -0.70 -3.02 119.26 115.83 1trv h ALA 17 Ca 0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1trv h ALA 17 Cb 1.19 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1trv h ALA 17 CO 0.12 0.45 0.13 0.00 0.00 0.00 0.00 179.25 179.96 1trv h ALA 18 N 1.64 0.99 0.00 0.00 0.00 -1.27 -3.47 119.26 117.15 1trv h ALA 18 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1trv h ALA 18 Cb 0.88 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1trv h ALA 18 CO 0.05 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.35 1trv n GLY 19 N -0.67 2.07 0.00 0.00 0.00 -1.14 -3.11 105.19 102.33 1trv n GLY 19 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 5.80 0.00 -4.82 1.61 2.03 -1.26 -4.47 116.55 115.45 1trv n ASP 20 Ca 0.00 -1.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.01 1trv n ASP 20 Cb 0.00 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.47 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 2.50 0.80 -0.67 1.02 -1.18 -4.61 119.74 117.60 1trv s LYS 21 Ca 0.00 0.76 -0.13 0.00 0.02 0.00 0.00 55.97 56.63 1trv s LYS 21 Cb 0.00 -1.96 0.08 0.00 -0.52 0.00 0.00 37.83 35.43 1trv s LYS 21 CO 0.00 -1.36 1.17 -1.17 -0.92 0.00 0.00 175.35 173.07 1trv s LEU 22 N -5.65 3.11 -0.28 3.17 0.20 -1.26 -4.48 118.68 113.49 1trv s LEU 22 Ca 0.59 2.21 -0.00 0.00 0.69 0.00 0.00 54.13 57.62 1trv s LEU 22 Cb -0.14 -4.57 0.14 0.00 -0.43 0.00 0.00 46.19 41.19 1trv s LEU 22 CO 0.54 -2.51 0.31 -0.69 -0.29 0.00 0.00 176.35 173.72 1trv s VAL 23 N -2.36 -0.44 0.58 1.68 1.01 -0.36 -2.93 120.40 117.58 1trv s VAL 23 Ca 0.70 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 62.24 1trv s VAL 23 Cb -0.25 -0.96 0.03 0.00 0.00 0.00 0.00 36.38 35.20 1trv s VAL 23 CO 0.51 -0.41 0.84 -0.69 0.00 0.00 0.00 175.10 175.35 1trv s VAL 24 N 2.39 3.02 0.01 2.92 1.01 -0.57 -0.56 120.40 128.61 1trv s VAL 24 Ca 0.09 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 1trv s VAL 24 Cb -0.14 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 1trv s VAL 24 CO -0.30 -0.16 0.02 -0.69 0.00 0.00 0.00 175.10 173.97 1trv s VAL 25 N -2.89 0.08 -0.28 2.92 1.01 -0.72 -2.29 120.40 118.22 1trv s VAL 25 Ca 0.56 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1trv s VAL 25 Cb -0.10 -0.24 0.07 0.00 0.00 0.00 0.00 36.38 36.10 1trv s VAL 25 CO 0.41 -0.35 -0.06 -0.62 0.00 0.00 0.00 175.10 174.49 1trv s ASP 26 N -1.07 4.61 -0.65 3.32 2.15 -0.98 -2.96 116.67 121.09 1trv s ASP 26 Ca -0.12 -1.50 -0.15 0.00 0.43 0.00 0.00 52.55 51.21 1trv s ASP 26 Cb -0.07 -1.60 0.17 0.00 -0.30 0.00 0.00 42.92 41.11 1trv s ASP 26 CO -0.00 -0.24 0.60 -0.36 -0.17 0.00 0.00 175.17 175.00 1trv s PHE 27 N 1.10 3.46 0.00 -5.34 0.40 -0.30 -1.22 117.98 116.08 1trv s PHE 27 Ca -0.05 -1.59 0.00 0.00 -0.60 0.00 0.00 56.93 54.69 1trv s PHE 27 Cb -0.20 -3.79 0.00 0.00 0.51 0.00 0.00 43.02 39.54 1trv s PHE 27 CO -0.05 -1.01 0.00 -1.13 0.70 0.00 0.00 175.22 173.74 1trv n SER 28 N 4.72 1.95 -3.84 1.36 3.41 -1.14 -1.92 113.62 118.16 1trv n SER 28 Ca -0.03 -0.82 -0.20 0.00 -0.26 0.00 0.00 58.87 57.57 1trv n SER 28 Cb 0.43 0.00 -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 -2.00 0.58 -0.12 7.33 0.00 -1.26 -2.92 121.76 123.38 1trv s ALA 29 Ca 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 51.96 51.67 1trv s ALA 29 Cb 0.00 -0.47 -0.26 0.00 0.00 0.00 0.00 23.12 22.39 1trv s ALA 29 CO 0.00 -0.14 0.83 0.00 0.00 0.00 0.00 175.76 176.45 1trv h THR 30 N 6.21 1.73 -0.20 0.00 1.03 -1.96 -3.19 112.91 116.53 1trv h THR 30 Ca -0.35 -2.28 0.06 0.00 -0.01 0.00 0.00 66.41 63.83 1trv h THR 30 Cb 1.14 3.28 -0.01 0.00 -1.07 0.00 0.00 68.15 71.49 1trv h THR 30 CO 0.42 0.60 0.43 4.11 -0.01 0.00 0.00 175.52 181.07 1trv h TRP 31 N -0.88 0.00 -3.59 0.00 5.08 -2.01 -3.40 115.95 111.16 1trv h TRP 31 Ca -0.02 0.00 -0.49 0.00 1.08 0.00 0.00 58.89 59.46 1trv h TRP 31 Cb 1.04 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 27.22 1trv h TRP 31 CO 0.26 0.00 0.09 0.00 -1.28 0.00 0.00 178.44 177.51 1trv n GLY 33 N -1.81 -0.57 0.20 0.00 0.00 -1.26 -3.86 105.19 97.89 1trv n GLY 33 Ca 0.01 -0.06 -0.03 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 0.27 0.00 1.61 0.11 -1.96 0.53 132.00 132.32 1trv h PRO 34 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1trv h PRO 34 Cb 0.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1trv h PRO 34 CO 0.00 0.18 0.00 0.00 -0.21 0.00 0.00 178.00 177.97 1trv n LYS 36 N -2.42 0.67 0.00 0.00 4.81 0.70 -4.07 118.16 117.85 1trv n LYS 36 Ca 0.00 -0.01 0.09 0.00 -0.87 0.00 0.00 58.31 57.52 1trv n LYS 36 Cb 0.17 -1.58 0.47 0.00 0.02 0.00 0.00 35.03 34.11 1trv n LYS 36 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1trv n MET 37 N -2.66 0.36 -0.38 1.64 1.56 0.15 -2.07 117.12 115.73 1trv n MET 37 Ca -0.21 0.08 0.11 0.00 -0.27 0.00 0.00 57.70 57.40 1trv n MET 37 Cb 0.95 -1.50 0.30 0.00 2.15 0.00 0.00 33.22 35.13 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 -1.19 1.01 0.09 1.12 5.41 -1.21 -4.30 119.36 120.29 1trv n ILE 38 Ca 0.10 -0.93 -0.02 0.00 1.00 0.00 0.00 62.75 62.90 1trv n ILE 38 Cb 0.11 0.41 -0.05 0.00 -0.71 0.00 0.00 39.64 39.40 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 3.95 0.00 0.00 0.38 2.10 -1.66 -3.15 116.57 118.19 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 0.73 0.00 -0.35 -2.00 0.00 0.00 179.45 177.86 1trv n PRO 40 N -3.27 0.14 -0.07 0.07 -0.05 -1.26 -1.31 135.00 129.26 1trv n PRO 40 Ca 0.00 0.39 -0.04 0.00 -0.05 0.00 0.00 63.50 63.80 1trv n PRO 40 Cb 0.84 -1.78 -0.02 0.00 -0.05 0.00 0.00 33.50 32.49 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 0.04 -1.84 -3.04 116.94 113.01 1trv h PHE 41 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1trv h PHE 41 Cb 0.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1trv h PHE 41 CO 0.00 0.14 -0.18 0.35 -0.60 0.00 0.00 178.31 178.02 1trv h PHE 42 N -1.00 -0.46 0.00 -0.55 3.57 -1.54 -2.36 116.94 114.60 1trv h PHE 42 Ca -0.02 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 1trv h PHE 42 Cb 0.40 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 1trv h PHE 42 CO -0.10 -0.24 -0.01 1.25 -2.23 0.00 0.00 178.31 176.98 1trv h HIS 43 N -0.57 0.00 -0.22 0.41 2.76 -1.41 -0.99 115.15 115.12 1trv h HIS 43 Ca -0.05 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.01 1trv h HIS 43 Cb 0.43 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 1trv h HIS 43 CO -0.03 0.01 -0.33 1.03 -1.30 0.00 0.00 177.93 177.31 1trv h SER 44 N 0.00 0.47 -0.15 3.26 0.87 -1.30 -2.45 113.55 114.24 1trv h SER 44 Ca -0.00 -0.18 0.04 0.00 -1.23 0.00 0.00 61.79 60.42 1trv h SER 44 Cb 0.05 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1trv h SER 44 CO 0.00 0.77 0.13 -0.07 -0.53 0.00 0.00 176.83 177.13 1trv h LEU 45 N 0.39 0.00 -0.87 2.23 3.38 -0.96 -2.15 115.31 117.32 1trv h LEU 45 Ca 0.05 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.21 1trv h LEU 45 Cb 0.77 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.41 1trv h LEU 45 CO 0.06 0.00 0.39 0.28 0.09 0.00 0.00 178.44 179.27 1trv h SER 46 N 0.00 0.37 0.95 -0.43 0.02 -1.51 0.36 113.55 113.31 1trv h SER 46 Ca 0.07 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1trv h SER 46 Cb 0.33 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1trv h SER 46 CO -0.00 0.06 -0.93 -0.33 -1.14 0.00 0.00 176.83 174.49 1trv h GLU 47 N 0.46 0.00 0.00 3.45 5.08 -1.57 -3.33 114.58 118.66 1trv h GLU 47 Ca 0.52 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.68 1trv h GLU 47 Cb 0.93 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 1trv h GLU 47 CO -0.48 0.00 -1.15 -0.22 -1.00 0.00 0.00 179.01 176.16 1trv h LYS 48 N 0.00 0.00 -2.38 2.33 3.64 -0.86 -3.39 116.57 115.90 1trv h LYS 48 Ca 0.00 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.79 1trv h LYS 48 Cb 0.94 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.36 1trv h LYS 48 CO 0.00 0.69 -0.80 0.66 -2.27 0.00 0.00 179.45 177.74 1trv n TYR 49 N -3.19 1.64 0.90 1.91 4.01 0.11 -4.90 117.16 117.63 1trv n TYR 49 Ca -0.05 -3.88 0.07 0.00 -0.16 0.00 0.00 57.90 53.88 1trv n TYR 49 Cb 0.92 -0.36 0.40 0.00 -0.31 0.00 0.00 39.34 39.99 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 1.63 0.00 -1.37 7.72 3.41 -1.25 -1.83 113.62 121.93 1trv n SER 50 Ca 0.25 -0.48 0.11 0.00 -0.26 0.00 0.00 58.87 58.49 1trv n SER 50 Cb 0.44 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.71 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 -0.96 3.99 -4.17 4.04 5.15 -1.26 -4.92 115.26 117.13 1trv n ASN 51 Ca 0.10 -2.10 -0.17 0.00 -0.60 0.00 0.00 54.58 51.81 1trv n ASN 51 Cb 0.05 -0.50 -0.12 0.00 -0.53 0.00 0.00 39.78 38.68 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 -1.24 1.04 -0.28 3.44 1.01 -0.76 -4.74 120.40 118.87 1trv s VAL 52 Ca 0.48 -1.41 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 1trv s VAL 52 Cb 0.26 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1trv s VAL 52 CO 0.30 -0.34 0.17 -0.63 0.00 0.00 0.00 175.10 174.60 1trv s ILE 53 N -1.65 5.11 -0.14 2.22 -1.09 -1.15 -4.95 121.20 119.55 1trv s ILE 53 Ca 0.00 0.07 -0.02 0.00 -2.23 0.00 0.00 60.65 58.46 1trv s ILE 53 Cb -0.08 -3.45 -0.02 0.00 -1.58 0.00 0.00 42.46 37.33 1trv s ILE 53 CO 0.02 0.24 -0.06 -0.36 -1.23 0.00 0.00 174.94 173.55 1trv s PHE 54 N 1.73 2.97 0.38 3.97 0.08 -1.26 -1.52 117.98 124.33 1trv s PHE 54 Ca 0.07 -0.34 0.08 0.00 0.12 0.00 0.00 56.93 56.86 1trv s PHE 54 Cb -0.16 -1.90 -0.03 0.00 -0.57 0.00 0.00 43.02 40.35 1trv s PHE 54 CO 0.10 -0.03 0.26 -0.51 -0.10 0.00 0.00 175.22 174.93 1trv s LEU 55 N 0.22 3.35 -0.21 -0.37 1.02 -0.97 -3.04 118.68 118.67 1trv s LEU 55 Ca -0.04 -0.77 -0.04 0.00 0.02 0.00 0.00 54.13 53.30 1trv s LEU 55 Cb -0.14 -1.88 0.08 0.00 0.02 0.00 0.00 46.19 44.27 1trv s LEU 55 CO 0.03 -0.47 0.14 -0.70 0.02 0.00 0.00 176.35 175.37 1trv s GLU 56 N -3.98 0.14 -0.04 1.70 2.12 -0.48 -2.31 118.70 115.85 1trv s GLU 56 Ca 0.42 -0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.64 1trv s GLU 56 Cb -0.02 -1.45 -0.03 0.00 0.26 0.00 0.00 34.13 32.88 1trv s GLU 56 CO 0.25 -0.77 -0.01 0.08 -0.54 0.00 0.00 175.26 174.27 1trv s VAL 57 N 2.19 4.12 -0.20 3.70 1.01 -0.36 -1.60 120.40 129.27 1trv s VAL 57 Ca 0.05 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 1trv s VAL 57 Cb -0.16 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1trv s VAL 57 CO -0.18 0.48 -0.04 -0.62 0.00 0.00 0.00 175.10 174.74 1trv s ASP 58 N -1.25 4.46 0.00 3.32 2.15 -1.26 -2.88 116.67 121.21 1trv s ASP 58 Ca 0.17 -0.31 0.09 0.00 0.43 0.00 0.00 52.55 52.92 1trv s ASP 58 Cb -0.11 -1.75 0.47 0.00 -0.30 0.00 0.00 42.92 41.22 1trv s ASP 58 CO 0.06 0.04 1.07 1.33 -0.17 0.00 0.00 175.17 177.50 1trv n VAL 59 N 4.41 0.47 -0.11 1.11 0.24 -1.15 0.26 118.33 123.57 1trv n VAL 59 Ca -0.18 0.12 -0.19 0.00 -2.04 0.00 0.00 64.34 62.05 1trv n VAL 59 Cb 0.51 -0.98 -0.09 0.00 -1.47 0.00 0.00 33.84 31.82 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 -1.16 1.96 0.01 -1.34 9.92 -1.26 -3.70 116.55 120.98 1trv n ASP 60 Ca 0.05 0.09 -0.11 0.00 -0.53 0.00 0.00 54.79 54.29 1trv n ASP 60 Cb 0.05 -0.49 -0.14 0.00 -0.64 0.00 0.00 41.12 39.90 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 -0.41 0.10 -0.67 -2.24 1.82 -1.90 -3.35 116.42 109.77 1trv h ASP 61 Ca -0.51 -0.17 -0.47 0.00 -0.39 0.00 0.00 57.03 55.49 1trv h ASP 61 Cb 1.59 -0.03 -0.33 0.00 0.68 0.00 0.00 39.33 41.24 1trv h ASP 61 CO -0.21 1.14 -0.43 0.00 -1.61 0.00 0.00 179.24 178.13 1trv n ALA 62 N -2.56 5.01 0.14 -0.78 0.00 0.14 -4.75 120.51 117.72 1trv n ALA 62 Ca -0.14 -3.62 0.07 0.00 0.00 0.00 0.00 53.44 49.76 1trv n ALA 62 Cb 1.02 -0.61 0.38 0.00 0.00 0.00 0.00 19.45 20.25 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 -0.84 0.09 -0.09 0.00 -0.00 -1.20 -0.77 117.38 114.57 1trv n GLN 63 Ca 0.43 0.56 -0.14 0.00 -0.00 0.00 0.00 57.00 57.86 1trv n GLN 63 Cb 0.90 -1.99 -0.04 0.00 -0.00 0.00 0.00 30.24 29.11 1trv n GLN 63 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 1trv h ASP 64 N 0.00 0.86 0.60 2.61 2.03 -1.89 -1.83 116.42 118.79 1trv h ASP 64 Ca 0.00 -0.50 -0.26 0.00 -0.73 0.00 0.00 57.03 55.53 1trv h ASP 64 Cb 0.37 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 38.63 1trv h ASP 64 CO 0.00 1.20 -1.17 0.58 -1.03 0.00 0.00 179.24 178.81 1trv h VAL 65 N 0.55 1.49 -0.69 4.15 2.07 -1.27 -3.13 116.25 119.42 1trv h VAL 65 Ca 0.03 -2.96 -0.03 0.00 0.82 0.00 0.00 66.70 64.56 1trv h VAL 65 Cb 1.00 2.85 -0.03 0.00 -1.52 0.00 0.00 31.29 33.58 1trv h VAL 65 CO 0.09 0.87 0.32 0.00 0.02 0.00 0.00 177.57 178.87 1trv h ALA 66 N 0.63 0.89 0.00 1.67 0.00 -1.46 -1.63 119.26 119.37 1trv h ALA 66 Ca -0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1trv h ALA 66 Cb 1.89 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1trv h ALA 66 CO 0.19 0.47 -0.19 0.66 0.00 0.00 0.00 179.25 180.37 1trv h SER 67 N 0.96 0.00 0.57 0.00 4.64 -1.38 0.91 113.55 119.26 1trv h SER 67 Ca 0.24 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.53 1trv h SER 67 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1trv h SER 67 CO -0.03 0.19 -0.35 -0.08 -0.87 0.00 0.00 176.83 175.70 1trv h GLU 68 N 0.00 -0.84 -0.00 4.77 4.57 -1.24 -1.72 114.58 120.12 1trv h GLU 68 Ca -0.00 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1trv h GLU 68 Cb 0.41 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1trv h GLU 68 CO 0.03 -0.56 -0.03 0.00 -1.18 0.00 0.00 179.01 177.27 1trv n ALA 69 N -2.56 2.64 -3.32 2.92 0.00 -1.12 -4.94 120.51 114.13 1trv n ALA 69 Ca -0.12 -0.22 -0.12 0.00 0.00 0.00 0.00 53.44 52.98 1trv n ALA 69 Cb 0.38 -1.43 0.02 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.98 -1.49 -2.82 0.00 1.02 0.28 -4.89 120.64 111.75 1trv n GLU 70 Ca 0.18 1.10 -0.43 0.00 -0.02 0.00 0.00 57.16 57.99 1trv n GLU 70 Cb 0.21 -4.89 -0.04 0.00 -0.02 0.00 0.00 31.44 26.70 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 -3.14 4.47 -0.22 2.62 1.01 -0.97 -4.86 120.40 119.31 1trv s VAL 71 Ca 0.15 0.71 0.16 0.00 0.00 0.00 0.00 61.98 63.01 1trv s VAL 71 Cb -0.04 -4.44 0.55 0.00 0.00 0.00 0.00 36.38 32.45 1trv s VAL 71 CO 0.79 -0.85 1.44 0.29 0.00 0.00 0.00 175.10 176.77 1trv n LYS 72 N 7.18 3.08 -3.20 2.72 4.76 -1.26 -4.86 118.16 126.58 1trv n LYS 72 Ca 0.06 -2.85 -0.00 0.00 -2.87 0.00 0.00 58.31 52.65 1trv n LYS 72 Cb 0.48 -1.86 -0.02 0.00 -1.84 0.00 0.00 35.03 31.79 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 -2.76 -1.97 0.13 7.82 0.00 -1.26 -5.16 121.76 118.56 1trv s ALA 73 Ca 0.43 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.53 1trv s ALA 73 Cb 0.34 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1trv s ALA 73 CO 0.10 -1.60 0.18 0.95 0.00 0.00 0.00 175.76 175.39 1trv s THR 74 N 2.75 4.86 0.75 0.00 -4.23 -1.26 -4.19 115.64 114.32 1trv s THR 74 Ca 0.13 -0.82 -0.11 0.00 -1.18 0.00 0.00 61.69 59.71 1trv s THR 74 Cb -0.13 -3.45 0.04 0.00 1.34 0.00 0.00 72.50 70.30 1trv s THR 74 CO -0.24 -0.03 1.09 -2.16 -0.54 0.00 0.00 174.62 172.74 1trv s PRO 75 N -2.95 2.49 -0.08 3.99 0.04 -1.26 -4.91 135.00 132.32 1trv s PRO 75 Ca 0.32 0.60 -0.10 0.00 0.04 0.00 0.00 61.00 61.86 1trv s PRO 75 Cb -0.11 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.49 1trv s PRO 75 CO 0.25 -1.33 0.26 0.99 0.04 0.00 0.00 177.00 177.22 1trv s THR 76 N -3.23 0.01 0.03 1.26 2.01 -0.81 -3.28 115.64 111.64 1trv s THR 76 Ca 0.59 -0.10 0.08 0.00 0.31 0.00 0.00 61.69 62.57 1trv s THR 76 Cb -0.13 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.95 1trv s THR 76 CO 0.53 -0.06 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.80 1trv s PHE 77 N -0.13 2.18 0.03 4.92 0.40 -0.89 -1.15 117.98 123.34 1trv s PHE 77 Ca -0.03 -0.40 0.05 0.00 -0.60 0.00 0.00 56.93 55.96 1trv s PHE 77 Cb -0.03 -1.32 -0.02 0.00 0.51 0.00 0.00 43.02 42.16 1trv s PHE 77 CO 0.01 0.08 -0.16 -0.65 0.70 0.00 0.00 175.22 175.20 1trv s GLN 78 N -1.08 1.10 -0.32 0.44 -0.21 -1.15 -2.02 119.66 116.41 1trv s GLN 78 Ca 0.10 -0.77 -0.08 0.00 0.02 0.00 0.00 55.36 54.63 1trv s GLN 78 Cb -0.10 -1.13 0.02 0.00 1.00 0.00 0.00 33.01 32.80 1trv s GLN 78 CO 0.01 0.29 0.11 -0.06 -2.12 0.00 0.00 175.29 173.52 1trv s PHE 79 N -0.76 3.19 0.12 0.91 0.40 0.10 -1.75 117.98 120.19 1trv s PHE 79 Ca 0.04 -1.06 0.07 0.00 -0.60 0.00 0.00 56.93 55.38 1trv s PHE 79 Cb -0.08 -2.30 -0.04 0.00 0.51 0.00 0.00 43.02 41.11 1trv s PHE 79 CO 0.01 -0.62 -0.09 -0.06 0.70 0.00 0.00 175.22 175.16 1trv s PHE 80 N 1.49 2.75 -0.17 0.36 0.08 0.27 -1.92 117.98 120.84 1trv s PHE 80 Ca 0.01 -0.16 -0.11 0.00 0.12 0.00 0.00 56.93 56.79 1trv s PHE 80 Cb -0.18 -1.42 0.06 0.00 -0.57 0.00 0.00 43.02 40.91 1trv s PHE 80 CO 0.04 0.44 0.44 0.21 -0.10 0.00 0.00 175.22 176.24 1trv s LYS 81 N -2.33 0.45 -0.07 0.44 2.20 -0.84 -1.22 119.74 118.37 1trv s LYS 81 Ca 0.22 0.76 0.00 0.00 -0.36 0.00 0.00 55.97 56.59 1trv s LYS 81 Cb -0.11 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.28 1trv s LYS 81 CO 0.14 -0.13 0.00 1.63 -0.36 0.00 0.00 175.35 176.64 1trv n LYS 82 N 3.82 -1.96 -0.80 4.03 5.02 -1.26 0.69 118.16 127.70 1trv n LYS 82 Ca -0.20 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1trv n LYS 82 Cb 0.56 -4.11 0.00 0.00 -0.02 0.00 0.00 35.03 31.46 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 0.58 1.14 2.87 0.72 0.00 -1.26 -5.07 105.19 104.17 1trv n GLY 83 Ca -0.01 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.03 0.88 0.04 1.61 1.11 0.22 -5.11 119.66 116.39 1trv s GLN 84 Ca 0.00 -0.08 -0.30 0.00 0.01 0.00 0.00 55.36 54.99 1trv s GLN 84 Cb 0.00 -0.98 -0.08 0.00 -1.01 0.00 0.00 33.01 30.95 1trv s GLN 84 CO 0.00 -0.15 1.61 0.21 0.01 0.00 0.00 175.29 176.97 1trv s LYS 85 N 1.27 4.21 -0.00 2.91 2.20 -1.26 -1.99 119.74 127.07 1trv s LYS 85 Ca -0.05 2.26 0.02 0.00 -0.36 0.00 0.00 55.97 57.83 1trv s LYS 85 Cb -0.14 -3.64 -0.02 0.00 -1.51 0.00 0.00 37.83 32.52 1trv s LYS 85 CO -0.02 -0.72 0.06 1.33 -0.36 0.00 0.00 175.35 175.64 1trv n VAL 86 N 4.80 0.00 -3.55 4.02 0.24 -0.81 -4.98 118.33 118.06 1trv n VAL 86 Ca 0.16 -0.35 -0.07 0.00 -2.04 0.00 0.00 64.34 62.04 1trv n VAL 86 Cb 0.41 0.86 -0.02 0.00 -1.47 0.00 0.00 33.84 33.62 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 -1.42 -0.37 -0.15 7.63 0.00 -1.21 -5.02 107.32 106.78 1trv s GLY 87 Ca 0.00 1.37 -0.34 0.00 0.00 0.00 0.00 44.72 45.76 1trv s GLY 87 CO 0.07 0.48 1.13 -1.83 0.00 0.00 0.00 173.10 172.96 1trv s GLU 88 N -2.64 0.43 -0.03 2.90 -1.05 -1.26 0.02 118.70 117.06 1trv s GLU 88 Ca 0.06 -0.16 -0.30 0.00 -0.15 0.00 0.00 54.97 54.43 1trv s GLU 88 Cb -0.01 0.20 0.11 0.00 -0.44 0.00 0.00 34.13 33.98 1trv s GLU 88 CO -0.06 -0.19 1.02 -0.59 0.95 0.00 0.00 175.26 176.39 1trv s PHE 89 N -2.58 -0.23 0.04 4.83 -0.12 -0.86 -5.00 117.98 114.06 1trv s PHE 89 Ca 0.08 0.09 0.05 0.00 -0.05 0.00 0.00 56.93 57.10 1trv s PHE 89 Cb -0.01 0.55 -0.02 0.00 -0.63 0.00 0.00 43.02 42.91 1trv s PHE 89 CO -0.06 -0.47 -0.14 -1.54 -0.05 0.00 0.00 175.22 172.96 1trv s SER 90 N -2.52 1.67 0.00 1.98 1.04 -1.26 -2.09 113.70 112.52 1trv s SER 90 Ca 0.08 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1trv s SER 90 Cb -0.01 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1trv s SER 90 CO -0.06 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.81 1trv n GLY 91 N 1.94 4.16 1.33 7.32 0.00 -1.21 -4.95 105.19 113.79 1trv n GLY 91 Ca -0.18 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.32 3.46 -3.10 4.61 0.00 -1.26 -4.57 120.51 118.33 1trv n ALA 92 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1trv n ALA 92 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 1.16 6.06 0.16 0.00 2.85 -1.26 -4.82 115.26 119.41 1trv n ASN 93 Ca 0.00 -3.36 0.18 0.00 -0.11 0.00 0.00 54.58 51.29 1trv n ASN 93 Cb 0.50 -1.24 0.79 0.00 1.24 0.00 0.00 39.78 41.07 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 5.52 0.00 -0.06 1.20 -0.00 -1.98 0.24 116.57 121.49 1trv h LYS 94 Ca 0.20 0.00 -0.08 0.00 -0.00 0.00 0.00 60.65 60.76 1trv h LYS 94 Cb 0.66 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.88 1trv h LYS 94 CO 1.24 0.00 -0.35 0.93 -0.00 0.00 0.00 179.45 181.28 1trv h GLU 95 N 0.00 0.11 -0.05 0.07 5.08 -1.98 -2.34 114.58 115.47 1trv h GLU 95 Ca 0.13 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1trv h GLU 95 Cb 0.70 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1trv h GLU 95 CO -0.00 0.45 -0.12 -0.22 -1.00 0.00 0.00 179.01 178.12 1trv h LYS 96 N 0.09 0.07 -0.90 2.33 3.64 -0.93 -2.04 116.57 118.84 1trv h LYS 96 Ca 0.01 -0.01 0.23 0.00 -1.27 0.00 0.00 60.65 59.61 1trv h LYS 96 Cb 0.66 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.41 1trv h LYS 96 CO 0.05 0.19 0.61 -0.07 -2.27 0.00 0.00 179.45 177.96 1trv h LEU 97 N 0.07 0.25 0.37 5.20 3.38 -1.47 0.22 115.31 123.33 1trv h LEU 97 Ca 0.01 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1trv h LEU 97 Cb 0.25 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1trv h LEU 97 CO 0.02 0.09 -0.18 -0.08 0.09 0.00 0.00 178.44 178.38 1trv h GLU 98 N 0.24 -0.48 -0.17 1.13 4.81 -1.52 0.23 114.58 118.82 1trv h GLU 98 Ca 0.46 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.77 1trv h GLU 98 Cb 1.39 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.88 1trv h GLU 98 CO -0.12 -0.32 0.13 0.00 -0.73 0.00 0.00 179.01 177.97 1trv h ALA 99 N -1.72 2.05 -0.12 2.92 0.00 -1.55 -1.98 119.26 118.86 1trv h ALA 99 Ca -0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1trv h ALA 99 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1trv h ALA 99 CO 0.08 -0.22 -0.26 1.15 0.00 0.00 0.00 179.25 180.01 1trv h THR 100 N 0.00 1.38 -0.49 0.00 2.02 -0.36 -2.97 112.91 112.48 1trv h THR 100 Ca 0.08 -1.55 0.02 0.00 0.77 0.00 0.00 66.41 65.73 1trv h THR 100 Cb 0.34 2.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.81 1trv h THR 100 CO -0.00 0.45 0.33 0.40 0.37 0.00 0.00 175.52 177.07 1trv h ILE 101 N -0.03 1.08 0.00 3.11 2.04 0.20 0.45 117.51 124.35 1trv h ILE 101 Ca 0.00 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1trv h ILE 101 Cb 0.86 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1trv h ILE 101 CO 0.06 0.11 0.00 -3.20 0.00 0.00 0.00 178.15 175.12 1trv n ASN 102 N -4.47 0.00 -0.04 1.72 5.15 -0.98 -2.01 115.26 114.63 1trv n ASN 102 Ca 0.05 -0.70 -0.08 0.00 -0.60 0.00 0.00 54.58 53.24 1trv n ASN 102 Cb 0.11 -0.04 -0.07 0.00 -0.53 0.00 0.00 39.78 39.24 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 -0.03 -0.46 1.20 4.81 0.06 -3.35 114.58 116.80 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 0.03 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1trv h GLU 103 CO 0.00 0.49 0.00 1.28 -0.73 0.00 0.00 179.01 180.05 1trv n LEU 104 N -4.73 4.77 0.00 1.64 4.77 -1.22 -5.13 117.00 117.10 1trv n LEU 104 Ca -0.06 -2.84 0.01 0.00 -0.03 0.00 0.00 56.01 53.09 1trv n LEU 104 Cb 0.26 -0.59 0.09 0.00 -2.33 0.00 0.00 43.42 40.84 1trv n LEU 104 CO 0.20 0.68 0.33 0.55 -1.33 0.00 0.00 177.39 177.82