#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 0.02 -0.16 2.03 1.01 -1.26 -4.17 120.40 117.87 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 -2.50 0.08 0.00 0.00 0.00 0.00 36.38 33.96 1trv s VAL 2 CO 0.00 0.00 0.32 -0.75 0.00 0.00 0.00 175.10 174.67 1trv s LYS 3 N -3.81 0.22 -0.11 2.72 2.47 -1.18 -5.01 119.74 115.04 1trv s LYS 3 Ca 0.40 0.85 -0.29 0.00 -1.56 0.00 0.00 55.97 55.36 1trv s LYS 3 Cb 0.05 0.09 -0.01 0.00 -1.46 0.00 0.00 37.83 36.49 1trv s LYS 3 CO 0.20 -0.28 1.00 -1.14 0.16 0.00 0.00 175.35 175.28 1trv s GLN 4 N 2.49 4.42 -0.18 4.03 0.74 -1.26 -1.25 119.66 128.65 1trv s GLN 4 Ca 0.00 1.38 -0.18 0.00 0.05 0.00 0.00 55.36 56.61 1trv s GLN 4 Cb -0.12 -3.54 -0.04 0.00 1.10 0.00 0.00 33.01 30.41 1trv s GLN 4 CO -0.10 -0.32 0.47 0.42 -0.55 0.00 0.00 175.29 175.21 1trv s ILE 5 N 2.02 5.16 -0.08 -2.34 -1.09 -0.65 -4.95 121.20 119.27 1trv s ILE 5 Ca 0.48 0.87 0.14 0.00 -2.23 0.00 0.00 60.65 59.91 1trv s ILE 5 Cb -0.18 -3.80 -0.24 0.00 -1.58 0.00 0.00 42.46 36.66 1trv s ILE 5 CO 0.18 0.24 0.51 -0.62 -1.23 0.00 0.00 174.94 174.01 1trv n GLU 6 N 4.42 0.65 -0.09 2.79 1.02 -1.26 -4.43 120.64 123.74 1trv n GLU 6 Ca -0.06 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1trv n GLU 6 Cb 0.51 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 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 -2.97 0.00 0.11 1.62 3.41 -1.26 -4.05 113.62 110.49 1trv n SER 7 Ca -0.21 -0.09 -0.01 0.00 -0.26 0.00 0.00 58.87 58.31 1trv n SER 7 Cb 1.08 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 65.01 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 -0.15 4.33 3.64 -1.93 -3.09 116.57 119.37 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 0.67 0.07 1.15 -2.27 0.00 0.00 179.45 179.07 1trv h THR 9 N 0.00 0.99 -0.07 1.00 2.02 -2.00 -1.66 112.91 113.19 1trv h THR 9 Ca -0.01 -0.05 -0.10 0.00 0.77 0.00 0.00 66.41 67.02 1trv h THR 9 Cb 1.50 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 1trv h THR 9 CO 0.09 0.03 -0.41 0.00 0.37 0.00 0.00 175.52 175.60 1trv h ALA 10 N 1.08 1.18 -0.07 6.16 0.00 -1.97 -2.53 119.26 123.10 1trv h ALA 10 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1trv h ALA 10 Cb 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1trv h ALA 10 CO -0.05 0.57 0.04 0.35 0.00 0.00 0.00 179.25 180.16 1trv h PHE 11 N 0.14 0.08 0.04 0.00 3.57 -1.28 0.36 116.94 119.85 1trv h PHE 11 Ca 0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1trv h PHE 11 Cb 0.78 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.50 1trv h PHE 11 CO 0.01 0.05 -0.02 0.37 -2.23 0.00 0.00 178.31 176.49 1trv h GLN 12 N 0.09 -0.05 -0.02 1.11 -0.00 -1.22 -2.14 115.11 112.88 1trv h GLN 12 Ca 0.03 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.69 1trv h GLN 12 Cb -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.49 1trv h GLN 12 CO -0.01 0.15 0.02 0.93 0.00 0.00 0.00 178.83 179.91 1trv h GLU 13 N -0.24 0.00 -0.23 1.69 4.39 -1.29 -1.73 114.58 117.16 1trv h GLU 13 Ca -0.01 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 1trv h GLU 13 Cb 0.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1trv h GLU 13 CO 0.01 0.00 -0.06 0.00 -1.16 0.00 0.00 179.01 177.80 1trv h ALA 14 N 1.99 0.32 0.00 3.43 0.00 0.23 -2.31 119.26 122.91 1trv h ALA 14 Ca 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1trv h ALA 14 Cb 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1trv h ALA 14 CO -0.00 0.11 -0.06 -0.07 0.00 0.00 0.00 179.25 179.23 1trv h LEU 15 N 0.19 0.00 -0.12 0.00 3.38 -0.72 -2.22 115.31 115.83 1trv h LEU 15 Ca 0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1trv h LEU 15 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1trv h LEU 15 CO 0.02 0.06 -0.20 -0.78 0.09 0.00 0.00 178.44 177.63 1trv h ASP 16 N 0.00 0.38 1.10 -0.43 3.58 -0.82 -3.02 116.42 117.22 1trv h ASP 16 Ca -0.00 -0.54 -0.01 0.00 0.42 0.00 0.00 57.03 56.89 1trv h ASP 16 Cb 0.35 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.29 1trv h ASP 16 CO 0.01 0.85 -0.07 0.00 -2.88 0.00 0.00 179.24 177.15 1trv h ALA 17 N 0.54 1.00 -0.28 -0.78 0.00 -1.12 -2.90 119.26 115.73 1trv h ALA 17 Ca 0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1trv h ALA 17 Cb 0.78 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1trv h ALA 17 CO 0.05 0.09 -0.12 0.00 0.00 0.00 0.00 179.25 179.27 1trv h ALA 18 N 1.93 1.27 0.00 0.00 0.00 -1.28 -3.47 119.26 117.71 1trv h ALA 18 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1trv h ALA 18 Cb 0.64 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1trv h ALA 18 CO 0.01 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.15 1trv n GLY 19 N -0.67 1.66 0.00 0.00 0.00 -1.10 -3.59 105.19 101.49 1trv n GLY 19 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 6.21 0.00 -4.37 1.61 8.00 -1.26 -4.60 116.55 122.15 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 0.17 0.00 -0.02 0.00 0.00 41.12 41.27 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 0.52 0.75 -1.24 1.02 -1.24 -4.39 119.74 115.17 1trv s LYS 21 Ca 0.00 -0.03 -0.13 0.00 0.02 0.00 0.00 55.97 55.82 1trv s LYS 21 Cb 0.00 -1.80 0.05 0.00 -0.52 0.00 0.00 37.83 35.57 1trv s LYS 21 CO 0.00 -2.55 1.16 -1.17 -0.92 0.00 0.00 175.35 171.86 1trv s LEU 22 N -6.15 3.21 -0.28 3.17 0.20 -1.26 -4.34 118.68 113.23 1trv s LEU 22 Ca 0.69 2.17 -0.01 0.00 0.69 0.00 0.00 54.13 57.67 1trv s LEU 22 Cb -0.10 -4.57 0.13 0.00 -0.43 0.00 0.00 46.19 41.23 1trv s LEU 22 CO 0.53 -2.24 0.31 -0.69 -0.29 0.00 0.00 176.35 173.97 1trv s VAL 23 N -2.32 -0.44 0.56 1.68 1.01 -0.20 -3.13 120.40 117.55 1trv s VAL 23 Ca 0.69 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 62.27 1trv s VAL 23 Cb -0.24 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1trv s VAL 23 CO 0.48 -0.38 0.82 -0.69 0.00 0.00 0.00 175.10 175.33 1trv s VAL 24 N 2.40 3.25 0.01 2.92 1.01 -0.43 -0.45 120.40 129.12 1trv s VAL 24 Ca 0.09 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 1trv s VAL 24 Cb -0.14 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1trv s VAL 24 CO -0.29 -0.23 0.04 -0.69 0.00 0.00 0.00 175.10 173.93 1trv s VAL 25 N -2.85 0.10 -0.25 2.92 1.01 -0.70 -2.27 120.40 118.36 1trv s VAL 25 Ca 0.54 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1trv s VAL 25 Cb -0.10 -0.32 0.06 0.00 0.00 0.00 0.00 36.38 36.01 1trv s VAL 25 CO 0.41 -0.45 -0.10 -0.62 0.00 0.00 0.00 175.10 174.34 1trv s ASP 26 N -1.42 4.29 -0.59 3.32 2.15 -1.02 -2.92 116.67 120.48 1trv s ASP 26 Ca -0.15 -1.33 -0.15 0.00 0.43 0.00 0.00 52.55 51.34 1trv s ASP 26 Cb -0.09 -1.47 0.15 0.00 -0.30 0.00 0.00 42.92 41.21 1trv s ASP 26 CO 0.00 -0.20 0.54 -0.36 -0.17 0.00 0.00 175.17 174.98 1trv s PHE 27 N 1.17 3.35 0.00 -5.34 0.40 -0.16 -1.18 117.98 116.22 1trv s PHE 27 Ca -0.08 -1.46 0.00 0.00 -0.60 0.00 0.00 56.93 54.79 1trv s PHE 27 Cb -0.20 -3.78 0.00 0.00 0.51 0.00 0.00 43.02 39.55 1trv s PHE 27 CO -0.05 -1.01 0.00 0.43 0.70 0.00 0.00 175.22 175.28 1trv n SER 28 N 4.99 1.57 -3.68 1.36 7.64 -1.14 -1.89 113.62 122.47 1trv n SER 28 Ca -0.09 -0.76 -0.27 0.00 1.01 0.00 0.00 58.87 58.76 1trv n SER 28 Cb 0.41 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.45 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 0.80 0.03 -0.43 0.00 -1.26 -3.08 121.76 115.82 1trv s ALA 29 Ca 0.00 -0.65 -0.25 0.00 0.00 0.00 0.00 51.96 51.06 1trv s ALA 29 Cb 0.00 -1.17 -0.18 0.00 0.00 0.00 0.00 23.12 21.77 1trv s ALA 29 CO 0.00 -1.24 1.45 0.00 0.00 0.00 0.00 175.76 175.97 1trv h THR 30 N 6.47 1.12 -0.30 0.00 1.03 -1.96 -2.13 112.91 117.14 1trv h THR 30 Ca -0.16 -0.61 0.09 0.00 -0.01 0.00 0.00 66.41 65.72 1trv h THR 30 Cb 1.12 1.52 -0.01 0.00 -1.07 0.00 0.00 68.15 69.70 1trv h THR 30 CO 0.34 0.15 0.54 4.11 -0.01 0.00 0.00 175.52 180.65 1trv h TRP 31 N -0.35 0.00 -3.56 0.00 5.08 -2.01 -3.40 115.95 111.71 1trv h TRP 31 Ca -0.01 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.46 1trv h TRP 31 Cb 0.31 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.47 1trv h TRP 31 CO 0.02 0.00 0.05 0.00 -1.28 0.00 0.00 178.44 177.23 1trv n GLY 33 N -1.32 -0.60 0.21 0.00 0.00 -1.26 -4.00 105.19 98.21 1trv n GLY 33 Ca 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.27 0.18 0.00 1.61 0.11 -1.96 0.51 132.00 132.18 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 0.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.24 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 -1.50 0.66 0.00 0.00 4.81 0.17 -4.05 118.16 118.25 1trv n LYS 36 Ca 0.01 0.02 0.09 0.00 -0.87 0.00 0.00 58.31 57.56 1trv n LYS 36 Cb 0.06 -1.60 0.50 0.00 0.02 0.00 0.00 35.03 34.01 1trv n LYS 36 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1trv n MET 37 N -2.68 0.44 -0.23 1.64 2.81 -0.54 -2.05 117.12 116.50 1trv n MET 37 Ca -0.20 0.05 0.12 0.00 -1.81 0.00 0.00 57.70 55.86 1trv n MET 37 Cb 0.94 -1.50 0.25 0.00 -0.71 0.00 0.00 33.22 32.20 1trv n MET 37 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1trv n ILE 38 N -1.12 0.60 0.09 2.02 5.41 -1.23 -4.32 119.36 120.80 1trv n ILE 38 Ca 0.11 -0.78 -0.03 0.00 1.00 0.00 0.00 62.75 63.05 1trv n ILE 38 Cb 0.10 0.85 -0.04 0.00 -0.71 0.00 0.00 39.64 39.83 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 4.35 0.00 0.00 0.38 2.10 -1.65 -3.10 116.57 118.65 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 0.00 0.81 0.00 -0.35 -2.00 0.00 0.00 179.45 177.91 1trv n PRO 40 N -3.36 0.04 -0.06 0.07 -0.05 -1.26 -1.60 135.00 128.77 1trv n PRO 40 Ca 0.00 0.28 -0.04 0.00 -0.05 0.00 0.00 63.50 63.70 1trv n PRO 40 Cb 0.84 -1.57 -0.01 0.00 -0.05 0.00 0.00 33.50 32.71 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 0.03 0.54 -1.00 -1.83 -3.27 116.94 111.41 1trv h PHE 41 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1trv h PHE 41 Cb 0.27 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.83 1trv h PHE 41 CO 0.00 0.00 -0.03 0.35 -1.61 0.00 0.00 178.31 177.02 1trv h PHE 42 N -0.97 -0.09 0.00 -0.55 3.57 -1.54 -1.01 116.94 116.35 1trv h PHE 42 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1trv h PHE 42 Cb 0.39 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1trv h PHE 42 CO -0.17 -0.06 0.00 1.25 -2.23 0.00 0.00 178.31 177.11 1trv h HIS 43 N -0.08 0.00 -0.36 0.41 2.76 -1.52 -0.93 115.15 115.44 1trv h HIS 43 Ca 0.00 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.02 1trv h HIS 43 Cb 0.08 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 1trv h HIS 43 CO -0.09 0.00 -0.40 0.66 -1.30 0.00 0.00 177.93 176.80 1trv h SER 44 N 0.00 0.93 -0.22 3.26 4.64 -1.23 -2.71 113.55 118.23 1trv h SER 44 Ca 0.00 -0.43 0.06 0.00 -0.47 0.00 0.00 61.79 60.95 1trv h SER 44 Cb 0.01 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.83 1trv h SER 44 CO 0.00 1.21 0.19 -0.07 -0.87 0.00 0.00 176.83 177.29 1trv h LEU 45 N 0.71 0.00 -0.54 5.97 3.38 -1.17 -2.09 115.31 121.57 1trv h LEU 45 Ca 0.06 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.13 1trv h LEU 45 Cb 0.98 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.65 1trv h LEU 45 CO 0.09 0.00 0.04 0.28 0.09 0.00 0.00 178.44 178.95 1trv h SER 46 N 0.00 -0.14 0.84 -0.43 0.02 -1.57 0.60 113.55 112.86 1trv h SER 46 Ca 0.11 0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 61.07 1trv h SER 46 Cb 0.49 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 1trv h SER 46 CO -0.00 -0.05 -1.23 -0.33 -1.14 0.00 0.00 176.83 174.09 1trv h GLU 47 N 0.16 0.00 0.00 3.45 5.08 -1.56 -3.33 114.58 118.38 1trv h GLU 47 Ca 0.27 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.60 1trv h GLU 47 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1trv h GLU 47 CO -0.42 0.18 -0.47 -0.22 -1.00 0.00 0.00 179.01 177.08 1trv h LYS 48 N 0.00 0.00 -2.18 2.33 3.64 -0.91 -3.38 116.57 116.07 1trv h LYS 48 Ca -0.10 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.70 1trv h LYS 48 Cb 1.35 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.77 1trv h LYS 48 CO 0.03 0.13 -0.88 0.66 -2.27 0.00 0.00 179.45 177.12 1trv n TYR 49 N -3.01 1.25 0.87 1.91 4.01 0.21 -4.90 117.16 117.49 1trv n TYR 49 Ca 0.01 -3.80 0.07 0.00 -0.16 0.00 0.00 57.90 54.02 1trv n TYR 49 Cb 0.61 -0.38 0.40 0.00 -0.31 0.00 0.00 39.34 39.65 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 1.38 0.00 -1.40 7.72 3.41 -1.25 -1.71 113.62 121.77 1trv n SER 50 Ca 0.25 -0.46 0.11 0.00 -0.26 0.00 0.00 58.87 58.51 1trv n SER 50 Cb 0.47 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.75 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 -0.98 4.09 -4.13 4.04 5.15 -1.26 -4.91 115.26 117.26 1trv n ASN 51 Ca 0.10 -2.11 -0.17 0.00 -0.60 0.00 0.00 54.58 51.80 1trv n ASN 51 Cb 0.05 -0.51 -0.12 0.00 -0.53 0.00 0.00 39.78 38.67 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 0.95 -0.30 3.44 1.01 -0.69 -4.77 120.40 118.80 1trv s VAL 52 Ca 0.49 -1.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 1trv s VAL 52 Cb 0.27 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 1trv s VAL 52 CO 0.31 -0.22 0.21 -0.63 0.00 0.00 0.00 175.10 174.77 1trv s ILE 53 N -1.20 5.30 -0.14 2.22 -1.09 -1.19 -4.88 121.20 120.22 1trv s ILE 53 Ca -0.03 0.04 -0.03 0.00 -2.23 0.00 0.00 60.65 58.40 1trv s ILE 53 Cb -0.09 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.16 1trv s ILE 53 CO 0.02 0.15 -0.05 -0.36 -1.23 0.00 0.00 174.94 173.47 1trv s PHE 54 N 1.76 3.00 0.43 3.97 0.08 -1.26 -1.31 117.98 124.65 1trv s PHE 54 Ca 0.07 -0.26 0.07 0.00 0.12 0.00 0.00 56.93 56.94 1trv s PHE 54 Cb -0.16 -1.91 -0.03 0.00 -0.57 0.00 0.00 43.02 40.35 1trv s PHE 54 CO 0.11 0.03 0.30 -0.51 -0.10 0.00 0.00 175.22 175.04 1trv s LEU 55 N 0.14 3.18 -0.24 -0.37 1.02 -0.96 -3.10 118.68 118.35 1trv s LEU 55 Ca -0.02 -0.95 -0.03 0.00 0.02 0.00 0.00 54.13 53.14 1trv s LEU 55 Cb -0.14 -1.68 0.10 0.00 0.02 0.00 0.00 46.19 44.49 1trv s LEU 55 CO 0.03 -0.66 0.18 -0.70 0.02 0.00 0.00 176.35 175.22 1trv s GLU 56 N -4.05 0.19 -0.03 1.70 2.12 -0.38 -2.44 118.70 115.81 1trv s GLU 56 Ca 0.43 -0.17 -0.01 0.00 0.36 0.00 0.00 54.97 55.58 1trv s GLU 56 Cb -0.00 -1.20 -0.04 0.00 0.26 0.00 0.00 34.13 33.16 1trv s GLU 56 CO 0.25 -0.86 0.05 0.08 -0.54 0.00 0.00 175.26 174.23 1trv s VAL 57 N 2.22 4.56 -0.20 3.70 1.01 -0.33 -1.63 120.40 129.73 1trv s VAL 57 Ca 0.07 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 1trv s VAL 57 Cb -0.15 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 1trv s VAL 57 CO -0.24 0.42 -0.03 -0.62 0.00 0.00 0.00 175.10 174.63 1trv s ASP 58 N -1.48 4.48 0.00 3.32 2.15 -1.26 -2.89 116.67 120.99 1trv s ASP 58 Ca 0.20 -0.31 0.08 0.00 0.43 0.00 0.00 52.55 52.95 1trv s ASP 58 Cb -0.12 -1.76 0.42 0.00 -0.30 0.00 0.00 42.92 41.16 1trv s ASP 58 CO 0.10 0.03 1.10 1.33 -0.17 0.00 0.00 175.17 177.56 1trv n VAL 59 N 4.47 0.72 -0.12 1.11 0.24 -1.18 0.27 118.33 123.85 1trv n VAL 59 Ca -0.18 0.18 -0.21 0.00 -2.04 0.00 0.00 64.34 62.09 1trv n VAL 59 Cb 0.51 -1.05 -0.09 0.00 -1.47 0.00 0.00 33.84 31.74 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 -1.24 1.94 0.01 -1.34 9.92 -1.26 -3.66 116.55 120.92 1trv n ASP 60 Ca 0.04 0.11 -0.09 0.00 -0.53 0.00 0.00 54.79 54.32 1trv n ASP 60 Cb 0.06 -0.55 -0.13 0.00 -0.64 0.00 0.00 41.12 39.86 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 -0.47 0.04 -0.61 -2.24 1.82 -1.88 -3.35 116.42 109.72 1trv h ASP 61 Ca -0.56 -0.06 -0.42 0.00 -0.39 0.00 0.00 57.03 55.59 1trv h ASP 61 Cb 1.64 -0.01 -0.29 0.00 0.68 0.00 0.00 39.33 41.35 1trv h ASP 61 CO -0.24 1.05 -0.36 0.00 -1.61 0.00 0.00 179.24 178.09 1trv n ALA 62 N -2.51 4.92 0.15 -0.78 0.00 0.14 -4.72 120.51 117.71 1trv n ALA 62 Ca -0.12 -3.55 0.07 0.00 0.00 0.00 0.00 53.44 49.85 1trv n ALA 62 Cb 1.02 -0.64 0.40 0.00 0.00 0.00 0.00 19.45 20.22 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 -0.88 0.10 -0.08 0.00 10.64 -1.22 -0.62 117.38 125.32 1trv n GLN 63 Ca 0.42 0.57 -0.14 0.00 -1.83 0.00 0.00 57.00 56.02 1trv n GLN 63 Cb 0.91 -2.00 -0.02 0.00 -0.86 0.00 0.00 30.24 28.26 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 0.95 0.67 2.61 2.03 -1.89 -2.20 116.42 118.59 1trv h ASP 64 Ca 0.00 -0.48 -0.25 0.00 -0.73 0.00 0.00 57.03 55.57 1trv h ASP 64 Cb 0.37 -0.27 -0.00 0.00 -0.83 0.00 0.00 39.33 38.60 1trv h ASP 64 CO 0.00 1.27 -1.14 0.58 -1.03 0.00 0.00 179.24 178.92 1trv h VAL 65 N 0.68 1.53 -0.68 4.15 2.07 -1.19 -3.21 116.25 119.61 1trv h VAL 65 Ca 0.03 -3.04 -0.04 0.00 0.82 0.00 0.00 66.70 64.47 1trv h VAL 65 Cb 1.09 2.84 -0.03 0.00 -1.52 0.00 0.00 31.29 33.67 1trv h VAL 65 CO 0.11 0.89 0.27 0.00 0.02 0.00 0.00 177.57 178.85 1trv h ALA 66 N 0.71 1.20 -0.05 1.67 0.00 -1.44 -1.82 119.26 119.53 1trv h ALA 66 Ca -0.10 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1trv h ALA 66 Cb 1.86 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1trv h ALA 66 CO 0.18 0.58 -0.23 0.66 0.00 0.00 0.00 179.25 180.44 1trv h SER 67 N 0.98 0.08 0.62 0.00 4.64 -1.43 0.48 113.55 118.92 1trv h SER 67 Ca 0.23 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 1trv h SER 67 Cb 0.19 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1trv h SER 67 CO -0.02 0.32 -0.39 -0.08 -0.87 0.00 0.00 176.83 175.79 1trv h GLU 68 N 0.07 -0.93 -0.00 4.77 4.81 -1.33 -2.05 114.58 119.92 1trv h GLU 68 Ca 0.01 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1trv h GLU 68 Cb 0.46 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1trv h GLU 68 CO 0.03 -0.62 -0.07 0.00 -0.73 0.00 0.00 179.01 177.62 1trv n ALA 69 N -2.62 2.63 -3.21 2.92 0.00 -1.15 -4.95 120.51 114.12 1trv n ALA 69 Ca -0.13 -0.19 -0.07 0.00 0.00 0.00 0.00 53.44 53.05 1trv n ALA 69 Cb 0.42 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.22 -1.45 -2.82 0.00 4.07 0.16 -4.90 120.64 114.48 1trv n GLU 70 Ca 0.13 1.27 -0.43 0.00 -0.06 0.00 0.00 57.16 58.07 1trv n GLU 70 Cb 0.28 -5.22 -0.04 0.00 -0.06 0.00 0.00 31.44 26.39 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 -3.07 4.45 -0.30 6.31 1.01 -0.88 -4.86 120.40 123.07 1trv s VAL 71 Ca 0.08 0.64 0.16 0.00 0.00 0.00 0.00 61.98 62.85 1trv s VAL 71 Cb -0.02 -4.46 0.52 0.00 0.00 0.00 0.00 36.38 32.42 1trv s VAL 71 CO 0.77 -0.90 1.42 0.29 0.00 0.00 0.00 175.10 176.68 1trv n LYS 72 N 7.24 3.04 -3.20 2.72 5.02 -1.26 -4.87 118.16 126.85 1trv n LYS 72 Ca 0.05 -2.76 0.00 0.00 -2.02 0.00 0.00 58.31 53.59 1trv n LYS 72 Cb 0.48 -1.79 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 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 -2.56 -1.98 0.13 7.82 0.00 -1.26 -5.16 121.76 118.76 1trv s ALA 73 Ca 0.40 1.33 0.03 0.00 0.00 0.00 0.00 51.96 53.73 1trv s ALA 73 Cb 0.32 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.24 1trv s ALA 73 CO 0.10 -1.48 0.18 0.95 0.00 0.00 0.00 175.76 175.52 1trv s THR 74 N 2.77 4.86 0.75 0.00 -4.23 -1.26 -4.20 115.64 114.32 1trv s THR 74 Ca 0.16 -0.83 -0.11 0.00 -1.18 0.00 0.00 61.69 59.72 1trv s THR 74 Cb -0.14 -3.45 0.04 0.00 1.34 0.00 0.00 72.50 70.29 1trv s THR 74 CO -0.22 -0.04 1.09 -2.16 -0.54 0.00 0.00 174.62 172.75 1trv s PRO 75 N -2.96 2.50 -0.11 3.99 0.04 -1.26 -4.91 135.00 132.29 1trv s PRO 75 Ca 0.32 0.60 -0.09 0.00 0.04 0.00 0.00 61.00 61.87 1trv s PRO 75 Cb -0.11 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.49 1trv s PRO 75 CO 0.25 -1.32 0.28 0.99 0.04 0.00 0.00 177.00 177.25 1trv s THR 76 N -3.23 -0.01 0.02 1.26 2.01 -0.79 -3.29 115.64 111.61 1trv s THR 76 Ca 0.59 0.03 0.07 0.00 0.31 0.00 0.00 61.69 62.69 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 0.01 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.92 1trv s PHE 77 N 0.39 2.53 0.04 4.92 0.40 -0.93 -0.99 117.98 124.34 1trv s PHE 77 Ca -0.02 -0.28 0.06 0.00 -0.60 0.00 0.00 56.93 56.09 1trv s PHE 77 Cb -0.04 -1.48 -0.02 0.00 0.51 0.00 0.00 43.02 41.99 1trv s PHE 77 CO -0.02 0.20 -0.17 -0.65 0.70 0.00 0.00 175.22 175.28 1trv s GLN 78 N -1.23 1.15 -0.34 0.44 -0.21 -1.15 -2.07 119.66 116.25 1trv s GLN 78 Ca 0.13 -0.82 -0.07 0.00 0.02 0.00 0.00 55.36 54.62 1trv s GLN 78 Cb -0.10 -1.20 0.03 0.00 1.00 0.00 0.00 33.01 32.74 1trv s GLN 78 CO 0.04 0.30 0.11 -0.06 -2.12 0.00 0.00 175.29 173.56 1trv s PHE 79 N -0.79 3.24 0.13 0.91 0.40 0.11 -1.72 117.98 120.26 1trv s PHE 79 Ca 0.04 -1.30 0.07 0.00 -0.60 0.00 0.00 56.93 55.14 1trv s PHE 79 Cb -0.08 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.12 1trv s PHE 79 CO 0.01 -0.70 -0.03 -0.06 0.70 0.00 0.00 175.22 175.15 1trv s PHE 80 N 1.44 2.85 -0.17 0.36 0.08 0.40 -1.93 117.98 121.01 1trv s PHE 80 Ca -0.01 -0.11 -0.10 0.00 0.12 0.00 0.00 56.93 56.83 1trv s PHE 80 Cb -0.19 -1.44 0.06 0.00 -0.57 0.00 0.00 43.02 40.88 1trv s PHE 80 CO 0.03 0.48 0.42 0.21 -0.10 0.00 0.00 175.22 176.26 1trv s LYS 81 N -2.54 0.41 -1.16 0.44 2.20 -0.70 -1.03 119.74 117.36 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 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.22 1trv s LYS 81 CO 0.17 -0.15 0.00 1.63 -0.36 0.00 0.00 175.35 176.64 1trv n LYS 82 N 4.12 -1.37 -1.78 4.03 5.02 -1.26 0.91 118.16 127.83 1trv n LYS 82 Ca -0.22 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 1trv n LYS 82 Cb 0.55 -4.85 0.00 0.00 -0.02 0.00 0.00 35.03 30.71 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 -0.13 0.53 2.89 0.72 0.00 -1.26 -5.05 105.19 102.89 1trv n GLY 83 Ca -0.11 -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 -3.66 1.01 0.03 1.61 -1.52 0.26 -5.11 119.66 112.29 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 -1.06 -0.07 0.00 -0.22 0.00 0.00 33.01 31.66 1trv s GLN 84 CO 0.00 -0.13 1.63 0.21 -0.25 0.00 0.00 175.29 176.75 1trv s LYS 85 N 1.20 4.20 -0.00 2.91 2.20 -1.26 -1.72 119.74 127.27 1trv s LYS 85 Ca -0.06 2.26 0.01 0.00 -0.36 0.00 0.00 55.97 57.82 1trv s LYS 85 Cb -0.14 -3.70 -0.02 0.00 -1.51 0.00 0.00 37.83 32.46 1trv s LYS 85 CO -0.02 -0.75 0.05 1.33 -0.36 0.00 0.00 175.35 175.60 1trv n VAL 86 N 4.92 0.00 -3.57 4.02 0.24 -0.81 -4.97 118.33 118.16 1trv n VAL 86 Ca 0.16 -0.25 -0.05 0.00 -2.04 0.00 0.00 64.34 62.16 1trv n VAL 86 Cb 0.41 0.73 -0.02 0.00 -1.47 0.00 0.00 33.84 33.49 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 -1.66 -0.34 -0.14 7.63 0.00 -1.18 -5.02 107.32 106.61 1trv s GLY 87 Ca -0.00 1.45 -0.34 0.00 0.00 0.00 0.00 44.72 45.83 1trv s GLY 87 CO 0.06 0.48 1.16 -1.83 0.00 0.00 0.00 173.10 172.97 1trv s GLU 88 N -2.60 0.41 0.00 2.90 -1.05 -1.26 0.09 118.70 117.19 1trv s GLU 88 Ca 0.08 -0.16 -0.29 0.00 -0.15 0.00 0.00 54.97 54.45 1trv s GLU 88 Cb -0.01 0.18 0.10 0.00 -0.44 0.00 0.00 34.13 33.97 1trv s GLU 88 CO -0.06 -0.18 1.04 -0.59 0.95 0.00 0.00 175.26 176.43 1trv s PHE 89 N -2.55 -0.19 0.04 4.83 -0.12 -0.88 -4.99 117.98 114.12 1trv s PHE 89 Ca 0.09 0.02 0.04 0.00 -0.05 0.00 0.00 56.93 57.04 1trv s PHE 89 Cb -0.01 0.56 -0.02 0.00 -0.63 0.00 0.00 43.02 42.93 1trv s PHE 89 CO -0.05 -0.51 -0.13 -1.54 -0.05 0.00 0.00 175.22 172.94 1trv s SER 90 N -2.65 1.51 0.00 1.98 1.04 -1.26 -2.19 113.70 112.13 1trv s SER 90 Ca 0.10 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1trv s SER 90 Cb -0.00 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1trv s SER 90 CO -0.04 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.78 1trv n GLY 91 N 1.82 4.19 1.26 7.32 0.00 -1.21 -4.95 105.19 113.62 1trv n GLY 91 Ca -0.19 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 3.24 -3.27 4.61 0.00 -1.26 -4.59 120.51 117.92 1trv n ALA 92 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1trv n ALA 92 Cb 0.00 -1.01 -0.01 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 1.02 5.61 0.28 0.00 4.05 -1.26 -4.84 115.26 120.12 1trv n ASN 93 Ca 0.00 -3.19 0.15 0.00 0.45 0.00 0.00 54.58 51.99 1trv n ASN 93 Cb 0.49 -1.28 0.88 0.00 1.23 0.00 0.00 39.78 41.10 1trv n ASN 93 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 177.26 174.28 1trv h LYS 94 N 6.08 0.00 -0.07 1.20 -0.00 -1.99 -0.33 116.57 121.46 1trv h LYS 94 Ca 0.19 0.00 -0.09 0.00 -0.00 0.00 0.00 60.65 60.75 1trv h LYS 94 Cb 0.77 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.99 1trv h LYS 94 CO 1.10 0.00 -0.35 0.93 -0.00 0.00 0.00 179.45 181.13 1trv h GLU 95 N 0.00 0.14 0.00 0.07 3.07 -1.98 -2.37 114.58 113.51 1trv h GLU 95 Ca 0.01 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 58.78 1trv h GLU 95 Cb 0.06 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1trv h GLU 95 CO -0.00 0.48 -0.15 -0.22 -1.40 0.00 0.00 179.01 177.72 1trv h LYS 96 N 0.12 0.00 -0.93 2.33 3.64 -1.46 -2.07 116.57 118.21 1trv h LYS 96 Ca 0.01 0.00 0.24 0.00 -1.27 0.00 0.00 60.65 59.63 1trv h LYS 96 Cb 0.68 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.45 1trv h LYS 96 CO 0.05 0.15 0.64 -0.07 -2.27 0.00 0.00 179.45 177.94 1trv h LEU 97 N 0.00 0.25 0.45 5.20 3.38 -1.48 0.13 115.31 123.24 1trv h LEU 97 Ca -0.00 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1trv h LEU 97 Cb 0.27 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1trv h LEU 97 CO 0.02 0.08 -0.22 -0.08 0.09 0.00 0.00 178.44 178.33 1trv h GLU 98 N 0.24 -0.59 -0.21 1.13 4.81 -1.53 0.23 114.58 118.66 1trv h GLU 98 Ca 0.48 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.81 1trv h GLU 98 Cb 1.47 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.97 1trv h GLU 98 CO -0.13 -0.39 0.17 0.00 -0.73 0.00 0.00 179.01 177.93 1trv h ALA 99 N -1.67 2.07 -0.14 2.92 0.00 -1.54 -1.69 119.26 119.21 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 0.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1trv h ALA 99 CO 0.10 -0.27 -0.31 1.15 0.00 0.00 0.00 179.25 179.92 1trv h THR 100 N 0.00 1.37 -0.59 0.00 2.02 -0.48 -2.99 112.91 112.23 1trv h THR 100 Ca 0.10 -1.59 0.03 0.00 0.77 0.00 0.00 66.41 65.72 1trv h THR 100 Cb 0.43 2.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.84 1trv h THR 100 CO -0.00 0.47 0.39 0.40 0.37 0.00 0.00 175.52 177.15 1trv h ILE 101 N 0.06 1.09 0.00 3.11 2.04 0.38 0.44 117.51 124.63 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 0.91 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1trv h ILE 101 CO 0.07 0.13 0.00 -3.20 0.00 0.00 0.00 178.15 175.15 1trv n ASN 102 N -4.46 0.00 -0.04 1.72 5.15 -0.99 -2.03 115.26 114.60 1trv n ASN 102 Ca 0.07 -0.75 -0.08 0.00 -0.60 0.00 0.00 54.58 53.22 1trv n ASN 102 Cb 0.12 -0.03 -0.07 0.00 -0.53 0.00 0.00 39.78 39.27 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 -0.04 -0.44 1.20 4.81 0.04 -3.35 114.58 116.79 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 0.49 0.00 1.28 -0.73 0.00 0.00 179.01 180.05 1trv n LEU 104 N -4.73 4.75 0.00 1.64 4.77 -1.22 -5.13 117.00 117.08 1trv n LEU 104 Ca -0.06 -2.87 0.02 0.00 -0.03 0.00 0.00 56.01 53.06 1trv n LEU 104 Cb 0.26 -0.60 0.09 0.00 -2.33 0.00 0.00 43.42 40.85 1trv n LEU 104 CO 0.20 0.67 0.33 0.55 -1.33 0.00 0.00 177.39 177.82